A Simple Climate Model Program for High School Education

NASA Astrophysics Data System (ADS)

Dommenget, D.

2012-04-01

The future climate change projections of the IPCC AR4 are based on GCM simulations, which give a distinct global warming pattern, with an arctic winter amplification, an equilibrium land sea contrast and an inter-hemispheric warming gradient. While these simulations are the most important tool of the IPCC predictions, the conceptual understanding of these predicted structures of climate change are very difficult to reach if only based on these highly complex GCM simulations and they are not accessible for ordinary people. In this study presented here we will introduce a very simple gridded globally resolved energy balance model based on strongly simplified physical processes, which is capable of simulating the main characteristics of global warming. The model shall give a bridge between the 1-dimensional energy balance models and the fully coupled 4-dimensional complex GCMs. It runs on standard PC computers computing globally resolved climate simulation with 2yrs per second or 100,000yrs per day. The program can compute typical global warming scenarios in a few minutes on a standard PC. The computer code is only 730 line long with very simple formulations that high school students should be able to understand. The simple model's climate sensitivity and the spatial structure of the warming pattern is within the uncertainties of the IPCC AR4 models simulations. It is capable of simulating the arctic winter amplification, the equilibrium land sea contrast and the inter-hemispheric warming gradient with good agreement to the IPCC AR4 models in amplitude and structure. The program can be used to do sensitivity studies in which students can change something (e.g. reduce the solar radiation, take away the clouds or make snow black) and see how it effects the climate or the climate response to changes in greenhouse gases. This program is available for every one and could be the basis for high school education. Partners for a high school project are wanted!

A brief introduction to computer-intensive methods, with a view towards applications in spatial statistics and stereology.

PubMed

Mattfeldt, Torsten

2011-04-01

Computer-intensive methods may be defined as data analytical procedures involving a huge number of highly repetitive computations. We mention resampling methods with replacement (bootstrap methods), resampling methods without replacement (randomization tests) and simulation methods. The resampling methods are based on simple and robust principles and are largely free from distributional assumptions. Bootstrap methods may be used to compute confidence intervals for a scalar model parameter and for summary statistics from replicated planar point patterns, and for significance tests. For some simple models of planar point processes, point patterns can be simulated by elementary Monte Carlo methods. The simulation of models with more complex interaction properties usually requires more advanced computing methods. In this context, we mention simulation of Gibbs processes with Markov chain Monte Carlo methods using the Metropolis-Hastings algorithm. An alternative to simulations on the basis of a parametric model consists of stochastic reconstruction methods. The basic ideas behind the methods are briefly reviewed and illustrated by simple worked examples in order to encourage novices in the field to use computer-intensive methods. © 2010 The Authors Journal of Microscopy © 2010 Royal Microscopical Society.

Mathematical model for steady state, simple ampholyte isoelectric focusing: Development, computer simulation and implementation

NASA Technical Reports Server (NTRS)

Palusinski, O. A.; Allgyer, T. T.

1979-01-01

The elimination of Ampholine from the system by establishing the pH gradient with simple ampholytes is proposed. A mathematical model was exercised at the level of the two-component system by using values for mobilities, diffusion coefficients, and dissociation constants representative of glutamic acid and histidine. The constants assumed in the calculations are reported. The predictions of the model and computer simulation of isoelectric focusing experiments are in direct importance to obtain Ampholine-free, stable pH gradients.

Description and validation of the Simple, Efficient, Dynamic, Global, Ecological Simulator (SEDGES v.1.0)

NASA Astrophysics Data System (ADS)

Paiewonsky, Pablo; Elison Timm, Oliver

2018-03-01

In this paper, we present a simple dynamic global vegetation model whose primary intended use is auxiliary to the land-atmosphere coupling scheme of a climate model, particularly one of intermediate complexity. The model simulates and provides important ecological-only variables but also some hydrological and surface energy variables that are typically either simulated by land surface schemes or else used as boundary data input for these schemes. The model formulations and their derivations are presented here, in detail. The model includes some realistic and useful features for its level of complexity, including a photosynthetic dependency on light, full coupling of photosynthesis and transpiration through an interactive canopy resistance, and a soil organic carbon dependence for bare-soil albedo. We evaluate the model's performance by running it as part of a simple land surface scheme that is driven by reanalysis data. The evaluation against observational data includes net primary productivity, leaf area index, surface albedo, and diagnosed variables relevant for the closure of the hydrological cycle. In this setup, we find that the model gives an adequate to good simulation of basic large-scale ecological and hydrological variables. Of the variables analyzed in this paper, gross primary productivity is particularly well simulated. The results also reveal the current limitations of the model. The most significant deficiency is the excessive simulation of evapotranspiration in mid- to high northern latitudes during their winter to spring transition. The model has a relative advantage in situations that require some combination of computational efficiency, model transparency and tractability, and the simulation of the large-scale vegetation and land surface characteristics under non-present-day conditions.

Simulation of green roof runoff under different substrate depths and vegetation covers by coupling a simple conceptual and a physically based hydrological model.

PubMed

Soulis, Konstantinos X; Valiantzas, John D; Ntoulas, Nikolaos; Kargas, George; Nektarios, Panayiotis A

2017-09-15

In spite of the well-known green roof benefits, their widespread adoption in the management practices of urban drainage systems requires the use of adequate analytical and modelling tools. In the current study, green roof runoff modeling was accomplished by developing, testing, and jointly using a simple conceptual model and a physically based numerical simulation model utilizing HYDRUS-1D software. The use of such an approach combines the advantages of the conceptual model, namely simplicity, low computational requirements, and ability to be easily integrated in decision support tools with the capacity of the physically based simulation model to be easily transferred in conditions and locations other than those used for calibrating and validating it. The proposed approach was evaluated with an experimental dataset that included various green roof covers (either succulent plants - Sedum sediforme, or xerophytic plants - Origanum onites, or bare substrate without any vegetation) and two substrate depths (either 8 cm or 16 cm). Both the physically based and the conceptual models matched very closely the observed hydrographs. In general, the conceptual model performed better than the physically based simulation model but the overall performance of both models was sufficient in most cases as it is revealed by the Nash-Sutcliffe Efficiency index which was generally greater than 0.70. Finally, it was showcased how a physically based and a simple conceptual model can be jointly used to allow the use of the simple conceptual model for a wider set of conditions than the available experimental data and in order to support green roof design. Copyright © 2017 Elsevier Ltd. All rights reserved.

Development and Application of a Simple Hydrogeomorphic Model for Headwater Catchments

EPA Science Inventory

We developed a catchment model based on a hydrogeomorphic concept that simulates discharge from channel-riparian complexes, zero-order basins (ZOB, basins ZB and FA), and hillslopes. Multitank models simulate ZOB and hillslope hydrological response, while kinematic wave models pr...

A Review of Numerical Simulation and Analytical Modeling for Medical Devices Safety in MRI

PubMed Central

Kabil, J.; Belguerras, L.; Trattnig, S.; Pasquier, C.; Missoffe, A.

2016-01-01

Summary Objectives To review past and present challenges and ongoing trends in numerical simulation for MRI (Magnetic Resonance Imaging) safety evaluation of medical devices. Methods A wide literature review on numerical and analytical simulation on simple or complex medical devices in MRI electromagnetic fields shows the evolutions through time and a growing concern for MRI safety over the years. Major issues and achievements are described, as well as current trends and perspectives in this research field. Results Numerical simulation of medical devices is constantly evolving, supported by calculation methods now well-established. Implants with simple geometry can often be simulated in a computational human model, but one issue remaining today is the experimental validation of these human models. A great concern is to assess RF heating on implants too complex to be traditionally simulated, like pacemaker leads. Thus, ongoing researches focus on alternative hybrids methods, both numerical and experimental, with for example a transfer function method. For the static field and gradient fields, analytical models can be used for dimensioning simple implants shapes, but limited for complex geometries that cannot be studied with simplifying assumptions. Conclusions Numerical simulation is an essential tool for MRI safety testing of medical devices. The main issues remain the accuracy of simulations compared to real life and the studies of complex devices; but as the research field is constantly evolving, some promising ideas are now under investigation to take up the challenges. PMID:27830244

Atmostpheric simulations of extreme surface heating episodes on simple hills

Treesearch

W.E. Heilman

1992-01-01

A two-dimensional nonhydrostatic atmospheric model was used to simulate the circulation patterns (wind and vorticity) and turbulence energy fields associated with lines of extreme surface heating on simple two-dimensional hills. Heating-line locations and ambient crossflow conditions were varied to qualitatively determine the impact of terrain geometry on the...

The Diffusion Simulator - Teaching Geomorphic and Geologic Problems Visually.

ERIC Educational Resources Information Center

Gilbert, R.

1979-01-01

Describes a simple hydraulic simulator based on more complex models long used by engineers to develop approximate solutions. It allows students to visualize non-steady transfer, to apply a model to solve a problem, and to compare experimentally simulated information with calculated values. (Author/MA)

What Can We Learn from a Simple Physics-Based Earthquake Simulator?

NASA Astrophysics Data System (ADS)

Artale Harris, Pietro; Marzocchi, Warner; Melini, Daniele

2018-03-01

Physics-based earthquake simulators are becoming a popular tool to investigate on the earthquake occurrence process. So far, the development of earthquake simulators is commonly led by the approach "the more physics, the better". However, this approach may hamper the comprehension of the outcomes of the simulator; in fact, within complex models, it may be difficult to understand which physical parameters are the most relevant to the features of the seismic catalog at which we are interested. For this reason, here, we take an opposite approach and analyze the behavior of a purposely simple earthquake simulator applied to a set of California faults. The idea is that a simple simulator may be more informative than a complex one for some specific scientific objectives, because it is more understandable. Our earthquake simulator has three main components: the first one is a realistic tectonic setting, i.e., a fault data set of California; the second is the application of quantitative laws for earthquake generation on each single fault, and the last is the fault interaction modeling through the Coulomb Failure Function. The analysis of this simple simulator shows that: (1) the short-term clustering can be reproduced by a set of faults with an almost periodic behavior, which interact according to a Coulomb failure function model; (2) a long-term behavior showing supercycles of the seismic activity exists only in a markedly deterministic framework, and quickly disappears introducing a small degree of stochasticity on the recurrence of earthquakes on a fault; (3) faults that are strongly coupled in terms of Coulomb failure function model are synchronized in time only in a marked deterministic framework, and as before, such a synchronization disappears introducing a small degree of stochasticity on the recurrence of earthquakes on a fault. Overall, the results show that even in a simple and perfectly known earthquake occurrence world, introducing a small degree of stochasticity may blur most of the deterministic time features, such as long-term trend and synchronization among nearby coupled faults.

Differences in simulated fire spread over Askervein Hill using two advanced wind models and a traditional uniform wind field

Treesearch

Jason Forthofer; Bret Butler

2007-01-01

A computational fluid dynamics (CFD) model and a mass-consistent model were used to simulate winds on simulated fire spread over a simple, low hill. The results suggest that the CFD wind field could significantly change simulated fire spread compared to traditional uniform winds. The CFD fire spread case may match reality better because the winds used in the fire...

Chaos in plasma simulation and experiment

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

Watts, C.; Newman, D.E.; Sprott, J.C.

1993-09-01

We investigate the possibility that chaos and simple determinism are governing the dynamics of reversed field pinch (RFP) plasmas using data from both numerical simulations and experiment. A large repertoire of nonlinear analysis techniques is used to identify low dimensional chaos. These tools include phase portraits and Poincard sections, correlation dimension, the spectrum of Lyapunov exponents and short term predictability. In addition, nonlinear noise reduction techniques are applied to the experimental data in an attempt to extract any underlying deterministic dynamics. Two model systems are used to simulate the plasma dynamics. These are -the DEBS code, which models global RFPmore » dynamics, and the dissipative trapped electron mode (DTEM) model, which models drift wave turbulence. Data from both simulations show strong indications of low,dimensional chaos and simple determinism. Experimental data were obtained from the Madison Symmetric Torus RFP and consist of a wide array of both global and local diagnostic signals. None of the signals shows any indication of low dimensional chaos or other simple determinism. Moreover, most of the analysis tools indicate the experimental system is very high dimensional with properties similar to noise. Nonlinear noise reduction is unsuccessful at extracting an underlying deterministic system.« less

Teaching Simulation and Computer-Aided Separation Optimization in Liquid Chromatography by Means of Illustrative Microsoft Excel Spreadsheets

ERIC Educational Resources Information Center

Fasoula, S.; Nikitas, P.; Pappa-Louisi, A.

2017-01-01

A series of Microsoft Excel spreadsheets were developed to simulate the process of separation optimization under isocratic and simple gradient conditions. The optimization procedure is performed in a stepwise fashion using simple macros for an automatic application of this approach. The proposed optimization approach involves modeling of the peak…

Molecular simulation of water removal from simple gases with zeolite NaA.

PubMed

Csányi, Eva; Ható, Zoltán; Kristóf, Tamás

2012-06-01

Water vapor removal from some simple gases using zeolite NaA was studied by molecular simulation. The equilibrium adsorption properties of H(2)O, CO, H(2), CH(4) and their mixtures in dehydrated zeolite NaA were computed by grand canonical Monte Carlo simulations. The simulations employed Lennard-Jones + Coulomb type effective pair potential models, which are suitable for the reproduction of thermodynamic properties of pure substances. Based on the comparison of the simulation results with experimental data for single-component adsorption at different temperatures and pressures, a modified interaction potential model for the zeolite is proposed. In the adsorption simulations with mixtures presented here, zeolite exhibits extremely high selectivity of water to the investigated weakly polar/non-polar gases demonstrating the excellent dehydration ability of zeolite NaA in engineering applications.

Spatial surplus production modeling of Atlantic tunas and billfish.

PubMed

Carruthers, Thomas R; McAllister, Murdoch K; Taylor, Nathan G

2011-10-01

We formulate and simulation-test a spatial surplus production model that provides a basis with which to undertake multispecies, multi-area, stock assessment. Movement between areas is parameterized using a simple gravity model that includes a "residency" parameter that determines the degree of stock mixing among areas. The model is deliberately simple in order to (1) accommodate nontarget species that typically have fewer available data and (2) minimize computational demand to enable simulation evaluation of spatial management strategies. Using this model, we demonstrate that careful consideration of spatial catch and effort data can provide the basis for simple yet reliable spatial stock assessments. If simple spatial dynamics can be assumed, tagging data are not required to reliably estimate spatial distribution and movement. When applied to eight stocks of Atlantic tuna and billfish, the model tracks regional catch data relatively well by approximating local depletions and exchange among high-abundance areas. We use these results to investigate and discuss the implications of using spatially aggregated stock assessment for fisheries in which the distribution of both the population and fishing vary over time.

Numerical study of centrifugal compressor stage vaneless diffusers

NASA Astrophysics Data System (ADS)

Galerkin, Y.; Soldatova, K.; Solovieva, O.

2015-08-01

The authors analyzed CFD calculations of flow in vaneless diffusers with relative width in range from 0.014 to 0.100 at inlet flow angles in range from 100 to 450 with different inlet velocity coefficients, Reynolds numbers and surface roughness. The aim is to simulate calculated performances by simple algebraic equations. The friction coefficient that represents head losses as friction losses is proposed for simulation. The friction coefficient and loss coefficient are directly connected by simple equation. The advantage is that friction coefficient changes comparatively little in range of studied parameters. Simple equations for this coefficient are proposed by the authors. The simulation accuracy is sufficient for practical calculations. To create the complete algebraic model of the vaneless diffuser the authors plan to widen this method of modeling to diffusers with different relative length and for wider range of Reynolds numbers.

Mathematical modeling of high-pH chemical flooding

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

Bhuyan, D.; Lake, L.W.; Pope, G.A.

1990-05-01

This paper describes a generalized compositional reservoir simulator for high-pH chemical flooding processes. This simulator combines the reaction chemistry associated with these processes with the extensive physical- and flow-property modeling schemes of an existing micellar/polymer flood simulator, UTCHEM. Application of the model is illustrated for cases from a simple alkaline preflush to surfactant-enhanced alkaline-polymer flooding.

Evaluation of a simple, point-scale hydrologic model in simulating soil moisture using the Delaware environmental observing system

NASA Astrophysics Data System (ADS)

Legates, David R.; Junghenn, Katherine T.

2018-04-01

Many local weather station networks that measure a number of meteorological variables (i.e. , mesonetworks) have recently been established, with soil moisture occasionally being part of the suite of measured variables. These mesonetworks provide data from which detailed estimates of various hydrological parameters, such as precipitation and reference evapotranspiration, can be made which, when coupled with simple surface characteristics available from soil surveys, can be used to obtain estimates of soil moisture. The question is Can meteorological data be used with a simple hydrologic model to estimate accurately daily soil moisture at a mesonetwork site? Using a state-of-the-art mesonetwork that also includes soil moisture measurements across the US State of Delaware, the efficacy of a simple, modified Thornthwaite/Mather-based daily water balance model based on these mesonetwork observations to estimate site-specific soil moisture is determined. Results suggest that the model works reasonably well for most well-drained sites and provides good qualitative estimates of measured soil moisture, often near the accuracy of the soil moisture instrumentation. The model exhibits particular trouble in that it cannot properly simulate the slow drainage that occurs in poorly drained soils after heavy rains and interception loss, resulting from grass not being short cropped as expected also adversely affects the simulation. However, the model could be tuned to accommodate some non-standard siting characteristics.

A simple prescription for simulating and characterizing gravitational arcs

NASA Astrophysics Data System (ADS)

Furlanetto, C.; Santiago, B. X.; Makler, M.; de Bom, C.; Brandt, C. H.; Neto, A. F.; Ferreira, P. C.; da Costa, L. N.; Maia, M. A. G.

2013-01-01

Simple models of gravitational arcs are crucial for simulating large samples of these objects with full control of the input parameters. These models also provide approximate and automated estimates of the shape and structure of the arcs, which are necessary for detecting and characterizing these objects on massive wide-area imaging surveys. We here present and explore the ArcEllipse, a simple prescription for creating objects with a shape similar to gravitational arcs. We also present PaintArcs, which is a code that couples this geometrical form with a brightness distribution and adds the resulting object to images. Finally, we introduce ArcFitting, which is a tool that fits ArcEllipses to images of real gravitational arcs. We validate this fitting technique using simulated arcs and apply it to CFHTLS and HST images of tangential arcs around clusters of galaxies. Our simple ArcEllipse model for the arc, associated to a Sérsic profile for the source, recovers the total signal in real images typically within 10%-30%. The ArcEllipse+Sérsic models also automatically recover visual estimates of length-to-width ratios of real arcs. Residual maps between data and model images reveal the incidence of arc substructure. They may thus be used as a diagnostic for arcs formed by the merging of multiple images. The incidence of these substructures is the main factor that prevents ArcEllipse models from accurately describing real lensed systems.

Modelling radiation fluxes in simple and complex environments: basics of the RayMan model.

PubMed

Matzarakis, Andreas; Rutz, Frank; Mayer, Helmut

2010-03-01

Short- and long-wave radiation flux densities absorbed by people have a significant influence on their energy balance. The heat effect of the absorbed radiation flux densities is parameterised by the mean radiant temperature. This paper presents the physical basis of the RayMan model, which simulates the short- and long-wave radiation flux densities from the three-dimensional surroundings in simple and complex environments. RayMan has the character of a freely available radiation and human-bioclimate model. The aim of the RayMan model is to calculate radiation flux densities, sunshine duration, shadow spaces and thermo-physiologically relevant assessment indices using only a limited number of meteorological and other input data. A comparison between measured and simulated values for global radiation and mean radiant temperature shows that the simulated data closely resemble measured data.

Simulated Three-Point Problems.

ERIC Educational Resources Information Center

Leyden, Michael B.

1979-01-01

The concept of sloping bedrock strata is portrayed by simple construction of a cardboard model. By use of wires and graph paper, students simulate the drilling of wells and use standard mathematical operations to determine strike and dip of the model stratum. (RE)

Fault-Mechanism Simulator

ERIC Educational Resources Information Center

Guyton, J. W.

1972-01-01

An inexpensive, simple mechanical model of a fault can be produced to simulate the effects leading to an earthquake. This model has been used successfully with students from elementary to college levels and can be demonstrated to classes as large as thirty students. (DF)

Modeling VLF signal modulation during solar flares with GEANT4 Monte Carlo simulation, a simple chemical model and LWPC

NASA Astrophysics Data System (ADS)

Palit, Sourav; Chakrabarti, Sandip Kumar; Pal, Sujay; Basak, Tamal

Extra ionization by X-rays during solar flares affects VLF signal propagation through D-region ionosphere. Ionization produced in the lower ionosphere due to X-ray spectra of solar flares are simulated with an efficient detector simulation program, GEANT4. The balancing between the ionization and loss processes, causing the lower ionosphere to settle back to its undisturbed state is handled with a simple chemical model consisting of four broad species of ion densities. Using the electron densities, modified VLF signal amplitude is then computed with LWPC code. VLF signal along NWC (Australia) to IERC/ICSP (India) propagation path is examined during a M and a X-type solar flares and observational deviations are compared with simulated results. The agreement is found to be excellent.

An Urban Diffusion Simulation Model for Carbon Monoxide

ERIC Educational Resources Information Center

Johnson, W. B.; And Others

1973-01-01

A relatively simple Gaussian-type diffusion simulation model for calculating urban carbon (CO) concentrations as a function of local meteorology and the distribution of traffic is described. The model can be used in two ways: in the synoptic mode and in the climatological mode. (Author/BL)

Hardware and software reliability estimation using simulations

NASA Technical Reports Server (NTRS)

Swern, Frederic L.

1994-01-01

The simulation technique is used to explore the validation of both hardware and software. It was concluded that simulation is a viable means for validating both hardware and software and associating a reliability number with each. This is useful in determining the overall probability of system failure of an embedded processor unit, and improving both the code and the hardware where necessary to meet reliability requirements. The methodologies were proved using some simple programs, and simple hardware models.

A Partially-Stirred Batch Reactor Model for Under-Ventilated Fire Dynamics

NASA Astrophysics Data System (ADS)

McDermott, Randall; Weinschenk, Craig

2013-11-01

A simple discrete quadrature method is developed for closure of the mean chemical source term in large-eddy simulations (LES) and implemented in the publicly available fire model, Fire Dynamics Simulator (FDS). The method is cast as a partially-stirred batch reactor model for each computational cell. The model has three distinct components: (1) a subgrid mixing environment, (2) a mixing model, and (3) a set of chemical rate laws. The subgrid probability density function (PDF) is described by a linear combination of Dirac delta functions with quadrature weights set to satisfy simple integral constraints for the computational cell. It is shown that under certain limiting assumptions, the present method reduces to the eddy dissipation concept (EDC). The model is used to predict carbon monoxide concentrations in direct numerical simulation (DNS) of a methane slot burner and in LES of an under-ventilated compartment fire.

Generalized Born Models of Macromolecular Solvation Effects

NASA Astrophysics Data System (ADS)

Bashford, Donald; Case, David A.

2000-10-01

It would often be useful in computer simulations to use a simple description of solvation effects, instead of explicitly representing the individual solvent molecules. Continuum dielectric models often work well in describing the thermodynamic aspects of aqueous solvation, and approximations to such models that avoid the need to solve the Poisson equation are attractive because of their computational efficiency. Here we give an overview of one such approximation, the generalized Born model, which is simple and fast enough to be used for molecular dynamics simulations of proteins and nucleic acids. We discuss its strengths and weaknesses, both for its fidelity to the underlying continuum model and for its ability to replace explicit consideration of solvent molecules in macromolecular simulations. We focus particularly on versions of the generalized Born model that have a pair-wise analytical form, and therefore fit most naturally into conventional molecular mechanics calculations.

A simple dynamic subgrid-scale model for LES of particle-laden turbulence

NASA Astrophysics Data System (ADS)

Park, George Ilhwan; Bassenne, Maxime; Urzay, Javier; Moin, Parviz

2017-04-01

In this study, a dynamic model for large-eddy simulations is proposed in order to describe the motion of small inertial particles in turbulent flows. The model is simple, involves no significant computational overhead, contains no adjustable parameters, and is flexible enough to be deployed in any type of flow solvers and grids, including unstructured setups. The approach is based on the use of elliptic differential filters to model the subgrid-scale velocity. The only model parameter, which is related to the nominal filter width, is determined dynamically by imposing consistency constraints on the estimated subgrid energetics. The performance of the model is tested in large-eddy simulations of homogeneous-isotropic turbulence laden with particles, where improved agreement with direct numerical simulation results is observed in the dispersed-phase statistics, including particle acceleration, local carrier-phase velocity, and preferential-concentration metrics.

A simple electric circuit model for proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Lazarou, Stavros; Pyrgioti, Eleftheria; Alexandridis, Antonio T.

A simple and novel dynamic circuit model for a proton exchange membrane (PEM) fuel cell suitable for the analysis and design of power systems is presented. The model takes into account phenomena like activation polarization, ohmic polarization, and mass transport effect present in a PEM fuel cell. The proposed circuit model includes three resistors to approach adequately these phenomena; however, since for the PEM dynamic performance connection or disconnection of an additional load is of crucial importance, the proposed model uses two saturable inductors accompanied by an ideal transformer to simulate the double layer charging effect during load step changes. To evaluate the effectiveness of the proposed model its dynamic performance under load step changes is simulated. Experimental results coming from a commercial PEM fuel cell module that uses hydrogen from a pressurized cylinder at the anode and atmospheric oxygen at the cathode, clearly verify the simulation results.

Simple, stable and reliable modeling of gas properties of organic working fluids in aerodynamic designs of turbomachinery for ORC and VCC

NASA Astrophysics Data System (ADS)

Kawakubo, T.

2016-05-01

A simple, stable and reliable modeling of the real gas nature of the working fluid is required for the aerodesigns of the turbine in the Organic Rankine Cycle and of the compressor in the Vapor Compression Cycle. Although many modern Computational Fluid Dynamics tools are capable of incorporating real gas models, simulations with such a gas model tend to be more time-consuming than those with a perfect gas model and even can be unstable due to the simulation near the saturation boundary. Thus a perfect gas approximation is still an attractive option to stably and swiftly conduct a design simulation. In this paper, an effective method of the CFD simulation with a perfect gas approximation is discussed. A method of representing the performance of the centrifugal compressor or the radial-inflow turbine by means of each set of non-dimensional performance parameters and translating the fictitious perfect gas result to the actual real gas performance is presented.

Building an Open-source Simulation Platform of Acoustic Radiation Force-based Breast Elastography

PubMed Central

Wang, Yu; Peng, Bo; Jiang, Jingfeng

2017-01-01

Ultrasound-based elastography including strain elastography (SE), acoustic radiation force Impulse (ARFI) imaging, point shear wave elastography (pSWE) and supersonic shear imaging (SSI) have been used to differentiate breast tumors among other clinical applications. The objective of this study is to extend a previously published virtual simulation platform built for ultrasound quasi-static breast elastography toward acoustic radiation force-based breast elastography. Consequently, the extended virtual breast elastography simulation platform can be used to validate image pixels with known underlying soft tissue properties (i.e. “ground truth”) in complex, heterogeneous media, enhancing confidence in elastographic image interpretations. The proposed virtual breast elastography system inherited four key components from the previously published virtual simulation platform: an ultrasound simulator (Field II), a mesh generator (Tetgen), a finite element solver (FEBio) and a visualization and data processing package (VTK). Using a simple message passing mechanism, functionalities have now been extended to acoustic radiation force-based elastography simulations. Examples involving three different numerical breast models with increasing complexity – one uniform model, one simple inclusion model and one virtual complex breast model derived from magnetic resonance imaging data, were used to demonstrate capabilities of this extended virtual platform. Overall, simulation results were compared with the published results. In the uniform model, the estimated shear wave speed (SWS) values were within 4% compared to the predetermined SWS values. In the simple inclusion and the complex breast models, SWS values of all hard inclusions in soft backgrounds were slightly underestimated, similar to what has been reported. The elastic contrast values and visual observation show that ARFI images have higher spatial resolution, while SSI images can provide higher inclusion-to-background contrast. In summary, our initial results were consistent with our expectations and what have been reported in the literature. The proposed (open-source) simulation platform can serve as a single gateway to perform many elastographic simulations in a transparent manner, thereby promoting collaborative developments. PMID:28075330

Building an open-source simulation platform of acoustic radiation force-based breast elastography

NASA Astrophysics Data System (ADS)

Wang, Yu; Peng, Bo; Jiang, Jingfeng

2017-03-01

Ultrasound-based elastography including strain elastography, acoustic radiation force impulse (ARFI) imaging, point shear wave elastography and supersonic shear imaging (SSI) have been used to differentiate breast tumors among other clinical applications. The objective of this study is to extend a previously published virtual simulation platform built for ultrasound quasi-static breast elastography toward acoustic radiation force-based breast elastography. Consequently, the extended virtual breast elastography simulation platform can be used to validate image pixels with known underlying soft tissue properties (i.e. ‘ground truth’) in complex, heterogeneous media, enhancing confidence in elastographic image interpretations. The proposed virtual breast elastography system inherited four key components from the previously published virtual simulation platform: an ultrasound simulator (Field II), a mesh generator (Tetgen), a finite element solver (FEBio) and a visualization and data processing package (VTK). Using a simple message passing mechanism, functionalities have now been extended to acoustic radiation force-based elastography simulations. Examples involving three different numerical breast models with increasing complexity—one uniform model, one simple inclusion model and one virtual complex breast model derived from magnetic resonance imaging data, were used to demonstrate capabilities of this extended virtual platform. Overall, simulation results were compared with the published results. In the uniform model, the estimated shear wave speed (SWS) values were within 4% compared to the predetermined SWS values. In the simple inclusion and the complex breast models, SWS values of all hard inclusions in soft backgrounds were slightly underestimated, similar to what has been reported. The elastic contrast values and visual observation show that ARFI images have higher spatial resolution, while SSI images can provide higher inclusion-to-background contrast. In summary, our initial results were consistent with our expectations and what have been reported in the literature. The proposed (open-source) simulation platform can serve as a single gateway to perform many elastographic simulations in a transparent manner, thereby promoting collaborative developments.

Chaos and simple determinism in reversed field pinch plasmas: Nonlinear analysis of numerical simulation and experimental data

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

Watts, Christopher A.

In this dissertation the possibility that chaos and simple determinism are governing the dynamics of reversed field pinch (RFP) plasmas is investigated. To properly assess this possibility, data from both numerical simulations and experiment are analyzed. A large repertoire of nonlinear analysis techniques is used to identify low dimensional chaos in the data. These tools include phase portraits and Poincare sections, correlation dimension, the spectrum of Lyapunov exponents and short term predictability. In addition, nonlinear noise reduction techniques are applied to the experimental data in an attempt to extract any underlying deterministic dynamics. Two model systems are used to simulatemore » the plasma dynamics. These are the DEBS code, which models global RFP dynamics, and the dissipative trapped electron mode (DTEM) model, which models drift wave turbulence. Data from both simulations show strong indications of low dimensional chaos and simple determinism. Experimental date were obtained from the Madison Symmetric Torus RFP and consist of a wide array of both global and local diagnostic signals. None of the signals shows any indication of low dimensional chaos or low simple determinism. Moreover, most of the analysis tools indicate the experimental system is very high dimensional with properties similar to noise. Nonlinear noise reduction is unsuccessful at extracting an underlying deterministic system.« less

ESTIMATION OF INFILTRATION RATE IN THE VADOSE ZONE: COMPILATION OF SIMPLE MATHEMATICAL MODELS - VOLUME I

EPA Science Inventory

The unsaturated or vadose zone provides a complex system for the simulation of water movement and contaminant transport and fate. Numerous models are available for performing simulations related to the movement of water. There exists extensive documentation of these models. Ho...

Modelling the vestibular head tilt response.

PubMed

Heibert, D; Lithgow, B

2005-03-01

This paper attempts to verify the existence of potentially diagnostically significant periodic signals thought to exist in recordings of neural activity originating from the vestibular nerve, following a single tilt of the head. It then attempts to find the physiological basis of this signal, in particular focusing on the mechanical response of the vestibular system. Simple mechanical models of the semi circular canals having angular velocities applied to them were looked at. A simple single canal model was simulated using CFX software. Finally, a simple model of all three canals with elastic duct walls and a moving cupula was constructed. Pressure waves within the canals were simulated using water hammer or pressure transient theory. In particular, it was investigated whether pressure waves within the utricle following a square pulse angular velocity applied to the canal(s) may be responsible for quasi-periodic oscillatory signals. The simulations showed that there are no pressure waves resonating within the canals following a square pulse angular velocity applied to the canal(s). The results show that the oscillatory signals are most likely not mechanical in origin. It was concluded that further investigation is required.

The use of mechanistic descriptions of algal growth and zooplankton grazing in an estuarine eutrophication model

NASA Astrophysics Data System (ADS)

Baird, M. E.; Walker, S. J.; Wallace, B. B.; Webster, I. T.; Parslow, J. S.

2003-03-01

A simple model of estuarine eutrophication is built on biomechanical (or mechanistic) descriptions of a number of the key ecological processes in estuaries. Mechanistically described processes include the nutrient uptake and light capture of planktonic and benthic autotrophs, and the encounter rates of planktonic predators and prey. Other more complex processes, such as sediment biogeochemistry, detrital processes and phosphate dynamics, are modelled using empirical descriptions from the Port Phillip Bay Environmental Study (PPBES) ecological model. A comparison is made between the mechanistically determined rates of ecological processes and the analogous empirically determined rates in the PPBES ecological model. The rates generally agree, with a few significant exceptions. Model simulations were run at a range of estuarine depths and nutrient loads, with outputs presented as the annually averaged biomass of autotrophs. The simulations followed a simple conceptual model of eutrophication, suggesting a simple biomechanical understanding of estuarine processes can provide a predictive tool for ecological processes in a wide range of estuarine ecosystems.

An interactive modelling tool for understanding hydrological processes in lowland catchments

NASA Astrophysics Data System (ADS)

Brauer, Claudia; Torfs, Paul; Uijlenhoet, Remko

2016-04-01

Recently, we developed the Wageningen Lowland Runoff Simulator (WALRUS), a rainfall-runoff model for catchments with shallow groundwater (Brauer et al., 2014ab). WALRUS explicitly simulates processes which are important in lowland catchments, such as feedbacks between saturated and unsaturated zone and between groundwater and surface water. WALRUS has a simple model structure and few parameters with physical connotations. Some default functions (which can be changed easily for research purposes) are implemented to facilitate application by practitioners and students. The effect of water management on hydrological variables can be simulated explicitly. The model description and applications are published in open access journals (Brauer et al, 2014). The open source code (provided as R package) and manual can be downloaded freely (www.github.com/ClaudiaBrauer/WALRUS). We organised a short course for Dutch water managers and consultants to become acquainted with WALRUS. We are now adapting this course as a stand-alone tutorial suitable for a varied, international audience. In addition, simple models can aid teachers to explain hydrological principles effectively. We used WALRUS to generate examples for simple interactive tools, which we will present at the EGU General Assembly. C.C. Brauer, A.J. Teuling, P.J.J.F. Torfs, R. Uijlenhoet (2014a): The Wageningen Lowland Runoff Simulator (WALRUS): a lumped rainfall-runoff model for catchments with shallow groundwater, Geosci. Model Dev., 7, 2313-2332. C.C. Brauer, P.J.J.F. Torfs, A.J. Teuling, R. Uijlenhoet (2014b): The Wageningen Lowland Runoff Simulator (WALRUS): application to the Hupsel Brook catchment and Cabauw polder, Hydrol. Earth Syst. Sci., 18, 4007-4028.

Problem-Solving in the Pre-Clinical Curriculum: The Uses of Computer Simulations.

ERIC Educational Resources Information Center

Michael, Joel A.; Rovick, Allen A.

1986-01-01

Promotes the use of computer-based simulations in the pre-clinical medical curriculum as a means of providing students with opportunities for problem solving. Describes simple simulations of skeletal muscle loads, complex simulations of major organ systems and comprehensive simulation models of the entire human body. (TW)

Molecular-dynamics simulation of mutual diffusion in nonideal liquid mixtures

NASA Astrophysics Data System (ADS)

Rowley, R. L.; Stoker, J. M.; Giles, N. F.

1991-05-01

The mutual-diffusion coefficients, D 12, of n-hexane, n-heptane, and n-octane in chloroform were modeled using equilibrium molecular-dynamics (MD) simulations of simple Lennard-Jones (LJ) fluids. Pure-component LJ parameters were obtained by comparison of simulations to experimental self-diffusion coefficients. While values of “effective” LJ parameters are not expected to simulate accurately diverse thermophysical properties over a wide range of conditions, it was recently shown that effective parameters obtained from pure self-diffusion coefficients can accurately model mutual diffusion in ideal, liquid mixtures. In this work, similar simulations are used to model diffusion in nonideal mixtures. The same combining rules used in the previous study for the cross-interaction parameters were found to be adequate to represent the composition dependence of D 12. The effect of alkane chain length on D 12 is also correctly predicted by the simulations. A commonly used assumption in empirical correlations of D 12, that its kinetic portion is a simple, compositional average of the intradiffusion coefficients, is inconsistent with the simulation results. In fact, the value of the kinetic portion of D 12 was often outside the range of values bracketed by the two intradiffusion coefficients for the nonideal system modeled here.

Computer Simulation of Human Service Program Evaluations.

ERIC Educational Resources Information Center

Trochim, William M. K.; Davis, James E.

1985-01-01

Describes uses of computer simulations for the context of human service program evaluation. Presents simple mathematical models for most commonly used human service outcome evaluation designs (pretest-posttest randomized experiment, pretest-posttest nonequivalent groups design, and regression-discontinuity design). Translates models into single…

A simple and accurate rule-based modeling framework for simulation of autocrine/paracrine stimulation of glioblastoma cell motility and proliferation by L1CAM in 2-D culture.

PubMed

Caccavale, Justin; Fiumara, David; Stapf, Michael; Sweitzer, Liedeke; Anderson, Hannah J; Gorky, Jonathan; Dhurjati, Prasad; Galileo, Deni S

2017-12-11

Glioblastoma multiforme (GBM) is a devastating brain cancer for which there is no known cure. Its malignancy is due to rapid cell division along with high motility and invasiveness of cells into the brain tissue. Simple 2-dimensional laboratory assays (e.g., a scratch assay) commonly are used to measure the effects of various experimental perturbations, such as treatment with chemical inhibitors. Several mathematical models have been developed to aid the understanding of the motile behavior and proliferation of GBM cells. However, many are mathematically complicated, look at multiple interdependent phenomena, and/or use modeling software not freely available to the research community. These attributes make the adoption of models and simulations of even simple 2-dimensional cell behavior an uncommon practice by cancer cell biologists. Herein, we developed an accurate, yet simple, rule-based modeling framework to describe the in vitro behavior of GBM cells that are stimulated by the L1CAM protein using freely available NetLogo software. In our model L1CAM is released by cells to act through two cell surface receptors and a point of signaling convergence to increase cell motility and proliferation. A simple graphical interface is provided so that changes can be made easily to several parameters controlling cell behavior, and behavior of the cells is viewed both pictorially and with dedicated graphs. We fully describe the hierarchical rule-based modeling framework, show simulation results under several settings, describe the accuracy compared to experimental data, and discuss the potential usefulness for predicting future experimental outcomes and for use as a teaching tool for cell biology students. It is concluded that this simple modeling framework and its simulations accurately reflect much of the GBM cell motility behavior observed experimentally in vitro in the laboratory. Our framework can be modified easily to suit the needs of investigators interested in other similar intrinsic or extrinsic stimuli that influence cancer or other cell behavior. This modeling framework of a commonly used experimental motility assay (scratch assay) should be useful to both researchers of cell motility and students in a cell biology teaching laboratory.

Numerical modelling of CIGS/CdS solar cell

NASA Astrophysics Data System (ADS)

Devi, Nisha; Aziz, Anver; Datta, Shouvik

2018-05-01

In this work, we design and analyze the Cu(In,Ga)Se2 (CIGS) solar cell using simulation software "Solar Cell Capacitance Simulator in One Dimension (SCAPS-1D)". The conventional CIGS solar cell uses various layers, like intrinsic ZnO/Aluminium doped ZnO as transparent oxide, antireflection layer MgF2, and electron back reflection (EBR) layer at CIGS/Mo interface for good power conversion efficiency. We replace this conventional model by a simple model which is easy to fabricate and also reduces the cost of this cell because of use of lesser materials. The new designed model of CIGS solar cell is ITO/CIGS/OVC/CdS/Metal contact, where OVC is ordered vacancy compound. From this simple structure, even at very low illumination we are getting good results. We simulate this CIGS solar cell model by varying various physical parameters of CIGS like thickness, carrier density, band gap and temperature.

A simple quantum mechanical treatment of scattering in nanoscale transistors

NASA Astrophysics Data System (ADS)

Venugopal, R.; Paulsson, M.; Goasguen, S.; Datta, S.; Lundstrom, M. S.

2003-05-01

We present a computationally efficient, two-dimensional quantum mechanical simulation scheme for modeling dissipative electron transport in thin body, fully depleted, n-channel, silicon-on-insulator transistors. The simulation scheme, which solves the nonequilibrium Green's function equations self consistently with Poisson's equation, treats the effect of scattering using a simple approximation inspired by the "Büttiker probes," often used in mesoscopic physics. It is based on an expansion of the active device Hamiltonian in decoupled mode space. Simulation results are used to highlight quantum effects, discuss the physics of scattering and to relate the quantum mechanical quantities used in our model to experimentally measured low field mobilities. Additionally, quantum boundary conditions are rigorously derived and the effects of strong off-equilibrium transport are examined. This paper shows that our approximate treatment of scattering, is an efficient and useful simulation method for modeling electron transport in nanoscale, silicon-on-insulator transistors.

On the kinetics of the capillary imbibition of a simple fluid through a designed nanochannel using the molecular dynamics simulation approach.

PubMed

Ahadian, Samad; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

2010-12-15

A molecular dynamics (MD) approach was employed to simulate the imbibition of a designed nanopore by a simple fluid (i.e., a Lennard-Jones (LJ) fluid). The length of imbibition as a function of time for various interactions between the LJ fluid and the pore wall was recorded for this system (i.e., the LJ fluid and the nanopore). By and large, the kinetics of imbibition was successfully described by the Lucas-Washburn (LW) equation, although deviation from it was observed in some cases. This lack of agreement is due to the neglect of the dynamic contact angle (DCA) in the LW equation. Two commonly used models (i.e., hydrodynamic and molecular-kinetic (MK) models) were thus employed to calculate the DCA. It is demonstrated that the MK model is able to justify the simulation results in which are not in good agreement with the simple LW equation. However, the hydrodynamic model is not capable of doing that. Further investigation of the MD simulation data revealed an interesting fact that there is a direct relationship between the wall-fluid interaction and the speed of the capillary imbibition. More evidence to support this claim is presented. Copyright © 2010 Elsevier Inc. All rights reserved.

Internal Energy Transfer and Dissociation Model Development using Accelerated First-Principles Simulations of Hypersonic Flow Features

DTIC Science & Technology

2013-07-09

through a potential energy surface (PES), such as the simple Lennard - Jones (LJ) PES [23] shown in the inset of Fig. 3, which is given by the following...a  normal  shock  wave.  Inset  shows  a   simple   Lennard -­‐ Jones  (LJ)   potential  energy  surface  (PES)  dictating...model input into such simulations is the potential energy surface (PES) that governs individual atomic interaction forces, developed by chemists and

Simulation Study on Fit Indexes in CFA Based on Data with Slightly Distorted Simple Structure

ERIC Educational Resources Information Center

Beauducel, Andre; Wittmann, Werner W.

2005-01-01

Fit indexes were compared with respect to a specific type of model misspecification. Simple structure was violated with some secondary loadings that were present in the true models that were not specified in the estimated models. The c2 test, Comparative Fit Index, Goodness-of-Fit Index, Incremental Fit Index, Nonnormed Fit Index, root mean…

A Simple Model of Global Aerosol Indirect Effects

NASA Technical Reports Server (NTRS)

Ghan, Steven J.; Smith, Steven J.; Wang, Minghuai; Zhang, Kai; Pringle, Kirsty; Carslaw, Kenneth; Pierce, Jeffrey; Bauer, Susanne; Adams, Peter

2013-01-01

Most estimates of the global mean indirect effect of anthropogenic aerosol on the Earth's energy balance are from simulations by global models of the aerosol lifecycle coupled with global models of clouds and the hydrologic cycle. Extremely simple models have been developed for integrated assessment models, but lack the flexibility to distinguish between primary and secondary sources of aerosol. Here a simple but more physically based model expresses the aerosol indirect effect (AIE) using analytic representations of cloud and aerosol distributions and processes. Although the simple model is able to produce estimates of AIEs that are comparable to those from some global aerosol models using the same global mean aerosol properties, the estimates by the simple model are sensitive to preindustrial cloud condensation nuclei concentration, preindustrial accumulation mode radius, width of the accumulation mode, size of primary particles, cloud thickness, primary and secondary anthropogenic emissions, the fraction of the secondary anthropogenic emissions that accumulates on the coarse mode, the fraction of the secondary mass that forms new particles, and the sensitivity of liquid water path to droplet number concentration. Estimates of present-day AIEs as low as 5 W/sq m and as high as 0.3 W/sq m are obtained for plausible sets of parameter values. Estimates are surprisingly linear in emissions. The estimates depend on parameter values in ways that are consistent with results from detailed global aerosol-climate simulation models, which adds to understanding of the dependence on AIE uncertainty on uncertainty in parameter values.

Development of an Implantable WBAN Path-Loss Model for Capsule Endoscopy

NASA Astrophysics Data System (ADS)

Aoyagi, Takahiro; Takizawa, Kenichi; Kobayashi, Takehiko; Takada, Jun-Ichi; Hamaguchi, Kiyoshi; Kohno, Ryuji

An implantable WBAN path-loss model for a capsule endoscopy which is used for examining digestive organs, is developed by conducting simulations and experiments. First, we performed FDTD simulations on implant WBAN propagation by using a numerical human model. Second, we performed FDTD simulations on a vessel that represents the human body. Third, we performed experiments using a vessel of the same dimensions as that used in the simulations. On the basis of the results of these simulations and experiments, we proposed the gradient and intercept parameters of the simple path-loss in-body propagation model.

A comparison of simple global kinetic models for coal devolatilization with the CPD model

DOE PAGES

Richards, Andrew P.; Fletcher, Thomas H.

2016-08-01

Simulations of coal combustors and gasifiers generally cannot incorporate the complexities of advanced pyrolysis models, and hence there is interest in evaluating simpler models over ranges of temperature and heating rate that are applicable to the furnace of interest. In this paper, six different simple model forms are compared to predictions made by the Chemical Percolation Devolatilization (CPD) model. The model forms included three modified one-step models, a simple two-step model, and two new modified two-step models. These simple model forms were compared over a wide range of heating rates (5 × 10 3 to 10 6 K/s) at finalmore » temperatures up to 1600 K. Comparisons were made of total volatiles yield as a function of temperature, as well as the ultimate volatiles yield. Advantages and disadvantages for each simple model form are discussed. In conclusion, a modified two-step model with distributed activation energies seems to give the best agreement with CPD model predictions (with the fewest tunable parameters).« less

Low Reynolds number two-equation modeling of turbulent flows

NASA Technical Reports Server (NTRS)

Michelassi, V.; Shih, T.-H.

1991-01-01

A k-epsilon model that accounts for viscous and wall effects is presented. The proposed formulation does not contain the local wall distance thereby making very simple the application to complex geometries. The formulation is based on an existing k-epsilon model that proved to fit very well with the results of direct numerical simulation. The new form is compared with nine different two-equation models and with direct numerical simulation for a fully developed channel flow at Re = 3300. The simple flow configuration allows a comparison free from numerical inaccuracies. The computed results prove that few of the considered forms exhibit a satisfactory agreement with the channel flow data. The model shows an improvement with respect to the existing formulations.

AN ENVIRONMENTAL SIMULATION MODEL FOR TRANSPORT AND FATE OF MERCURY IN SMALL RURAL CATCHMENTS

EPA Science Inventory

The development of an extensively modified version of the environmental model GLEAMS to simulate fate and transport of mercury in small catchments is presented. Methods for parameter estimation are proposed and in some cases simple relationships for mercury processes are derived....

The effects of numerical-model complexity and observation type on estimated porosity values

USGS Publications Warehouse

Starn, Jeffrey; Bagtzoglou, Amvrossios C.; Green, Christopher T.

2015-01-01

The relative merits of model complexity and types of observations employed in model calibration are compared. An existing groundwater flow model coupled with an advective transport simulation of the Salt Lake Valley, Utah (USA), is adapted for advective transport, and effective porosity is adjusted until simulated tritium concentrations match concentrations in samples from wells. Two calibration approaches are used: a “complex” highly parameterized porosity field and a “simple” parsimonious model of porosity distribution. The use of an atmospheric tracer (tritium in this case) and apparent ages (from tritium/helium) in model calibration also are discussed. Of the models tested, the complex model (with tritium concentrations and tritium/helium apparent ages) performs best. Although tritium breakthrough curves simulated by complex and simple models are very generally similar, and there is value in the simple model, the complex model is supported by a more realistic porosity distribution and a greater number of estimable parameters. Culling the best quality data did not lead to better calibration, possibly because of processes and aquifer characteristics that are not simulated. Despite many factors that contribute to shortcomings of both the models and the data, useful information is obtained from all the models evaluated. Although any particular prediction of tritium breakthrough may have large errors, overall, the models mimic observed trends.

Comparing crop growth and carbon budgets simulated across AmeriFlux agricultural sites using the community land model (CLM)

USDA-ARS?s Scientific Manuscript database

Improving process-based crop models is needed to achieve high fidelity forecasts of regional energy, water, and carbon exchange. However, most state-of-the-art Land Surface Models (LSMs) assessed in the fifth phase of the Coupled Model Inter-comparison project (CMIP5) simulated crops as simple C3 or...

Developing a Conceptual Architecture for a Generalized Agent-based Modeling Environment (GAME)

DTIC Science & Technology

2008-03-01

4. REPAST (Java, Python , C#, Open Source) ........28 5. MASON: Multi-Agent Modeling Language (Swarm Extension... Python , C#, Open Source) Repast (Recursive Porous Agent Simulation Toolkit) was designed for building agent-based models and simulations in the...Repast makes it easy for inexperienced users to build models by including a built-in simple model and provide interfaces through which menus and Python

Development of mathematical models of environmental physiology

NASA Technical Reports Server (NTRS)

Stolwijk, J. A. J.; Mitchell, J. W.; Nadel, E. R.

1971-01-01

Selected articles concerned with mathematical or simulation models of human thermoregulation are presented. The articles presented include: (1) development and use of simulation models in medicine, (2) model of cardio-vascular adjustments during exercise, (3) effective temperature scale based on simple model of human physiological regulatory response, (4) behavioral approach to thermoregulatory set point during exercise, and (5) importance of skin temperature in sweat regulation.

Investigation of shear damage considering the evolution of anisotropy

NASA Astrophysics Data System (ADS)

Kweon, S.

2013-12-01

The damage that occurs in shear deformations in view of anisotropy evolution is investigated. It is widely believed in the mechanics research community that damage (or porosity) does not evolve (increase) in shear deformations since the hydrostatic stress in shear is zero. This paper proves that the above statement can be false in large deformations of simple shear. The simulation using the proposed anisotropic ductile fracture model (macro-scale) in this study indicates that hydrostatic stress becomes nonzero and (thus) porosity evolves (increases or decreases) in the simple shear deformation of anisotropic (orthotropic) materials. The simple shear simulation using a crystal plasticity based damage model (meso-scale) shows the same physics as manifested in the above macro-scale model that porosity evolves due to the grain-to-grain interaction, i.e., due to the evolution of anisotropy. Through a series of simple shear simulations, this study investigates the effect of the evolution of anisotropy, i.e., the rotation of the orthotropic axes onto the damage (porosity) evolution. The effect of the evolutions of void orientation and void shape onto the damage (porosity) evolution is investigated as well. It is found out that the interaction among porosity, the matrix anisotropy and void orientation/shape plays a crucial role in the ductile damage of porous materials.

Testing the Two-Layer Model for Correcting Near Cloud Reflectance Enhancement Using LES SHDOM Simulated Radiances

NASA Technical Reports Server (NTRS)

Wen, Guoyong; Marshak, Alexander; Varnai, Tamas; Levy, Robert

2016-01-01

A transition zone exists between cloudy skies and clear sky; such that, clouds scatter solar radiation into clear-sky regions. From a satellite perspective, it appears that clouds enhance the radiation nearby. We seek a simple method to estimate this enhancement, since it is so computationally expensive to account for all three-dimensional (3-D) scattering processes. In previous studies, we developed a simple two-layer model (2LM) that estimated the radiation scattered via cloud-molecular interactions. Here we have developed a new model to account for cloud-surface interaction (CSI). We test the models by comparing to calculations provided by full 3-D radiative transfer simulations of realistic cloud scenes. For these scenes, the Moderate Resolution Imaging Spectroradiometer (MODIS)-like radiance fields were computed from the Spherical Harmonic Discrete Ordinate Method (SHDOM), based on a large number of cumulus fields simulated by the University of California, Los Angeles (UCLA) large eddy simulation (LES) model. We find that the original 2LM model that estimates cloud-air molecule interactions accounts for 64 of the total reflectance enhancement and the new model (2LM+CSI) that also includes cloud-surface interactions accounts for nearly 80. We discuss the possibility of accounting for cloud-aerosol radiative interactions in 3-D cloud-induced reflectance enhancement, which may explain the remaining 20 of enhancements. Because these are simple models, these corrections can be applied to global satellite observations (e.g., MODIS) and help to reduce biases in aerosol and other clear-sky retrievals.

A large-signal dynamic simulation for the series resonant converter

NASA Technical Reports Server (NTRS)

King, R. J.; Stuart, T. A.

1983-01-01

A simple nonlinear discrete-time dynamic model for the series resonant dc-dc converter is derived using approximations appropriate to most power converters. This model is useful for the dynamic simulation of a series resonant converter using only a desktop calculator. The model is compared with a laboratory converter for a large transient event.

Testing the Simple Biosphere model (SiB) using point micrometeorological and biophysical data

NASA Technical Reports Server (NTRS)

Sellers, P. J.; Dorman, J. L.

1987-01-01

The suitability of the Simple Biosphere (SiB) model of Sellers et al. (1986) for calculation of the surface fluxes for use within general circulation models is assessed. The structure of the SiB model is described, and its performance is evaluated in terms of its ability to realistically and accurately simulate biophysical processes over a number of test sites, including Ruthe (Germany), South Carolina (U.S.), and Central Wales (UK), for which point biophysical and micrometeorological data were available. The model produced simulations of the energy balances of barley, wheat, maize, and Norway Spruce sites over periods ranging from 1 to 40 days. Generally, it was found that the model reproduced time series of latent, sensible, and ground-heat fluxes and surface radiative temperature comparable with the available data.

SpikingLab: modelling agents controlled by Spiking Neural Networks in Netlogo.

PubMed

Jimenez-Romero, Cristian; Johnson, Jeffrey

2017-01-01

The scientific interest attracted by Spiking Neural Networks (SNN) has lead to the development of tools for the simulation and study of neuronal dynamics ranging from phenomenological models to the more sophisticated and biologically accurate Hodgkin-and-Huxley-based and multi-compartmental models. However, despite the multiple features offered by neural modelling tools, their integration with environments for the simulation of robots and agents can be challenging and time consuming. The implementation of artificial neural circuits to control robots generally involves the following tasks: (1) understanding the simulation tools, (2) creating the neural circuit in the neural simulator, (3) linking the simulated neural circuit with the environment of the agent and (4) programming the appropriate interface in the robot or agent to use the neural controller. The accomplishment of the above-mentioned tasks can be challenging, especially for undergraduate students or novice researchers. This paper presents an alternative tool which facilitates the simulation of simple SNN circuits using the multi-agent simulation and the programming environment Netlogo (educational software that simplifies the study and experimentation of complex systems). The engine proposed and implemented in Netlogo for the simulation of a functional model of SNN is a simplification of integrate and fire (I&F) models. The characteristics of the engine (including neuronal dynamics, STDP learning and synaptic delay) are demonstrated through the implementation of an agent representing an artificial insect controlled by a simple neural circuit. The setup of the experiment and its outcomes are described in this work.

SIMPL Systems, or: Can We Design Cryptographic Hardware without Secret Key Information?

NASA Astrophysics Data System (ADS)

Rührmair, Ulrich

This paper discusses a new cryptographic primitive termed SIMPL system. Roughly speaking, a SIMPL system is a special type of Physical Unclonable Function (PUF) which possesses a binary description that allows its (slow) public simulation and prediction. Besides this public key like functionality, SIMPL systems have another advantage: No secret information is, or needs to be, contained in SIMPL systems in order to enable cryptographic protocols - neither in the form of a standard binary key, nor as secret information hidden in random, analog features, as it is the case for PUFs. The cryptographic security of SIMPLs instead rests on (i) a physical assumption on their unclonability, and (ii) a computational assumption regarding the complexity of simulating their output. This novel property makes SIMPL systems potentially immune against many known hardware and software attacks, including malware, side channel, invasive, or modeling attacks.

A Note on Verification of Computer Simulation Models

ERIC Educational Resources Information Center

Aigner, Dennis J.

1972-01-01

Establishes an argument that questions the validity of one test'' of goodness-of-fit (the extent to which a series of obtained measures agrees with a series of theoretical measures) for the simulated time path of a simple endogenous (internally developed) variable in a simultaneous, perhaps dynamic econometric model. (Author)

Comparison of human driver dynamics in simulators with complex and simple visual displays and in an automobile on the road

NASA Technical Reports Server (NTRS)

Mcruer, D. T.; Klein, R. H.

1975-01-01

As part of a comprehensive program exploring driver/vehicle system response in lateral steering tasks, driver/vehicle system describing functions and other dynamic data have been gathered in several milieu. These include a simple fixed base simulator with an elementary roadway delineation only display; a fixed base statically operating automobile with a terrain model based, wide angle projection system display; and a full scale moving base automobile operating on the road. Dynamic data with the two fixed base simulators compared favorably, implying that the impoverished visual scene, lack of engine noise, and simplified steering wheel feel characteristics in the simple simulator did not induce significant driver dynamic behavior variations. The fixed base vs. moving base comparisons showed substantially greater crossover frequencies and phase margins on the road course.

Multi-Criteria Decision Making For Determining A Simple Model of Supplier Selection

NASA Astrophysics Data System (ADS)

Harwati

2017-06-01

Supplier selection is a decision with many criteria. Supplier selection model usually involves more than five main criteria and more than 10 sub-criteria. In fact many model includes more than 20 criteria. Too many criteria involved in supplier selection models sometimes make it difficult to apply in many companies. This research focuses on designing supplier selection that easy and simple to be applied in the company. Analytical Hierarchy Process (AHP) is used to weighting criteria. The analysis results there are four criteria that are easy and simple can be used to select suppliers: Price (weight 0.4) shipment (weight 0.3), quality (weight 0.2) and services (weight 0.1). A real case simulation shows that simple model provides the same decision with a more complex model.

A numerical tool for reproducing driver behaviour: experiments and predictive simulations.

PubMed

Casucci, M; Marchitto, M; Cacciabue, P C

2010-03-01

This paper presents the simulation tool called SDDRIVE (Simple Simulation of Driver performance), which is the numerical computerised implementation of the theoretical architecture describing Driver-Vehicle-Environment (DVE) interactions, contained in Cacciabue and Carsten [Cacciabue, P.C., Carsten, O. A simple model of driver behaviour to sustain design and safety assessment of automated systems in automotive environments, 2010]. Following a brief description of the basic algorithms that simulate the performance of drivers, the paper presents and discusses a set of experiments carried out in a Virtual Reality full scale simulator for validating the simulation. Then the predictive potentiality of the tool is shown by discussing two case studies of DVE interactions, performed in the presence of different driver attitudes in similar traffic conditions.

Statistical modeling of ecosystem respiration using eddy covariance data: Maximum likelihood parameter estimation, and Monte Carlo simulation of model and parameter uncertainty, applied to three simple models

Treesearch

Andrew D. Richardson; David Y. Hollinger; David Y. Hollinger

2005-01-01

Whether the goal is to fill gaps in the flux record, or to extract physiological parameters from eddy covariance data, researchers are frequently interested in fitting simple models of ecosystem physiology to measured data. Presently, there is no consensus on the best models to use, or the ideal optimization criteria. We demonstrate that, given our estimates of the...

Simple model of surface roughness for binary collision sputtering simulations

NASA Astrophysics Data System (ADS)

Lindsey, Sloan J.; Hobler, Gerhard; Maciążek, Dawid; Postawa, Zbigniew

2017-02-01

It has been shown that surface roughness can strongly influence the sputtering yield - especially at glancing incidence angles where the inclusion of surface roughness leads to an increase in sputtering yields. In this work, we propose a simple one-parameter model (the "density gradient model") which imitates surface roughness effects. In the model, the target's atomic density is assumed to vary linearly between the actual material density and zero. The layer width is the sole model parameter. The model has been implemented in the binary collision simulator IMSIL and has been evaluated against various geometric surface models for 5 keV Ga ions impinging an amorphous Si target. To aid the construction of a realistic rough surface topography, we have performed MD simulations of sequential 5 keV Ga impacts on an initially crystalline Si target. We show that our new model effectively reproduces the sputtering yield, with only minor variations in the energy and angular distributions of sputtered particles. The success of the density gradient model is attributed to a reduction of the reflection coefficient - leading to increased sputtering yields, similar in effect to surface roughness.

SIMPL: A Simplified Model-Based Program for the Analysis and Visualization of Groundwater Rebound in Abandoned Mines to Prevent Contamination of Water and Soils by Acid Mine Drainage

PubMed Central

Kim, Sung-Min

2018-01-01

Cessation of dewatering following underground mine closure typically results in groundwater rebound, because mine voids and surrounding strata undergo flooding up to the levels of the decant points, such as shafts and drifts. SIMPL (Simplified groundwater program In Mine workings using the Pipe equation and Lumped parameter model), a simplified lumped parameter model-based program for predicting groundwater levels in abandoned mines, is presented herein. The program comprises a simulation engine module, 3D visualization module, and graphical user interface, which aids data processing, analysis, and visualization of results. The 3D viewer facilitates effective visualization of the predicted groundwater level rebound phenomenon together with a topographic map, mine drift, goaf, and geological properties from borehole data. SIMPL is applied to data from the Dongwon coal mine and Dalsung copper mine in Korea, with strong similarities in simulated and observed results. By considering mine workings and interpond connections, SIMPL can thus be used to effectively analyze and visualize groundwater rebound. In addition, the predictions by SIMPL can be utilized to prevent the surrounding environment (water and soil) from being polluted by acid mine drainage. PMID:29747480

Simulations of multi-contrast x-ray imaging using near-field speckles

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

Zdora, Marie-Christine; Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom and Department of Physics & Astronomy, University College London, London, WC1E 6BT; Thibault, Pierre

2016-01-28

X-ray dark-field and phase-contrast imaging using near-field speckles is a novel technique that overcomes limitations inherent in conventional absorption x-ray imaging, i.e. poor contrast for features with similar density. Speckle-based imaging yields a wealth of information with a simple setup tolerant to polychromatic and divergent beams, and simple data acquisition and analysis procedures. Here, we present a simulation software used to model the image formation with the speckle-based technique, and we compare simulated results on a phantom sample with experimental synchrotron data. Thorough simulation of a speckle-based imaging experiment will help for better understanding and optimising the technique itself.

Validation of a DICE Simulation Against a Discrete Event Simulation Implemented Entirely in Code.

PubMed

Möller, Jörgen; Davis, Sarah; Stevenson, Matt; Caro, J Jaime

2017-10-01

Modeling is an essential tool for health technology assessment, and various techniques for conceptualizing and implementing such models have been described. Recently, a new method has been proposed-the discretely integrated condition event or DICE simulation-that enables frequently employed approaches to be specified using a common, simple structure that can be entirely contained and executed within widely available spreadsheet software. To assess if a DICE simulation provides equivalent results to an existing discrete event simulation, a comparison was undertaken. A model of osteoporosis and its management programmed entirely in Visual Basic for Applications and made public by the National Institute for Health and Care Excellence (NICE) Decision Support Unit was downloaded and used to guide construction of its DICE version in Microsoft Excel ® . The DICE model was then run using the same inputs and settings, and the results were compared. The DICE version produced results that are nearly identical to the original ones, with differences that would not affect the decision direction of the incremental cost-effectiveness ratios (<1% discrepancy), despite the stochastic nature of the models. The main limitation of the simple DICE version is its slow execution speed. DICE simulation did not alter the results and, thus, should provide a valid way to design and implement decision-analytic models without requiring specialized software or custom programming. Additional efforts need to be made to speed up execution.

Responses to atmospheric CO2 concentrations in crop simulation models: a review of current simple and semicomplex representations and options for model development.

PubMed

Vanuytrecht, Eline; Thorburn, Peter J

2017-05-01

Elevated atmospheric CO 2 concentrations ([CO 2 ]) cause direct changes in crop physiological processes (e.g. photosynthesis and stomatal conductance). To represent these CO 2 responses, commonly used crop simulation models have been amended, using simple and semicomplex representations of the processes involved. Yet, there is no standard approach to and often poor documentation of these developments. This study used a bottom-up approach (starting with the APSIM framework as case study) to evaluate modelled responses in a consortium of commonly used crop models and illuminate whether variation in responses reflects true uncertainty in our understanding compared to arbitrary choices of model developers. Diversity in simulated CO 2 responses and limited validation were common among models, both within the APSIM framework and more generally. Whereas production responses show some consistency up to moderately high [CO 2 ] (around 700 ppm), transpiration and stomatal responses vary more widely in nature and magnitude (e.g. a decrease in stomatal conductance varying between 35% and 90% among models was found for [CO 2 ] doubling to 700 ppm). Most notably, nitrogen responses were found to be included in few crop models despite being commonly observed and critical for the simulation of photosynthetic acclimation, crop nutritional quality and carbon allocation. We suggest harmonization and consideration of more mechanistic concepts in particular subroutines, for example, for the simulation of N dynamics, as a way to improve our predictive understanding of CO 2 responses and capture secondary processes. Intercomparison studies could assist in this aim, provided that they go beyond simple output comparison and explicitly identify the representations and assumptions that are causal for intermodel differences. Additionally, validation and proper documentation of the representation of CO 2 responses within models should be prioritized. © 2017 John Wiley & Sons Ltd.

Modeling Methods

USGS Publications Warehouse

Healy, Richard W.; Scanlon, Bridget R.

2010-01-01

Simulation models are widely used in all types of hydrologic studies, and many of these models can be used to estimate recharge. Models can provide important insight into the functioning of hydrologic systems by identifying factors that influence recharge. The predictive capability of models can be used to evaluate how changes in climate, water use, land use, and other factors may affect recharge rates. Most hydrological simulation models, including watershed models and groundwater-flow models, are based on some form of water-budget equation, so the material in this chapter is closely linked to that in Chapter 2. Empirical models that are not based on a water-budget equation have also been used for estimating recharge; these models generally take the form of simple estimation equations that define annual recharge as a function of precipitation and possibly other climatic data or watershed characteristics.Model complexity varies greatly. Some models are simple accounting models; others attempt to accurately represent the physics of water movement through each compartment of the hydrologic system. Some models provide estimates of recharge explicitly; for example, a model based on the Richards equation can simulate water movement from the soil surface through the unsaturated zone to the water table. Recharge estimates can be obtained indirectly from other models. For example, recharge is a parameter in groundwater-flow models that solve for hydraulic head (i.e. groundwater level). Recharge estimates can be obtained through a model calibration process in which recharge and other model parameter values are adjusted so that simulated water levels agree with measured water levels. The simulation that provides the closest agreement is called the best fit, and the recharge value used in that simulation is the model-generated estimate of recharge.

Modeling of electron behaviors under microwave electric field in methane and air pre-mixture gas plasma assisted combustion

NASA Astrophysics Data System (ADS)

Akashi, Haruaki; Sasaki, K.; Yoshinaga, T.

2011-10-01

Recently, plasma-assisted combustion has been focused on for achieving more efficient combustion way of fossil fuels, reducing pollutants and so on. Shinohara et al has reported that the flame length of methane and air premixed burner shortened by irradiating microwave power without increase of gas temperature. This suggests that electrons heated by microwave electric field assist the combustion. They also measured emission from 2nd Positive Band System (2nd PBS) of nitrogen during the irradiation. To clarify this mechanism, electron behavior under microwave power should be examined. To obtain electron transport parameters, electron Monte Carlo simulations in methane and air mixture gas have been done. A simple model has been developed to simulate inside the flame. To make this model simple, some assumptions are made. The electrons diffuse from the combustion plasma region. And the electrons quickly reach their equilibrium state. And it is found that the simulated emission from 2nd PBS agrees with the experimental result. Recently, plasma-assisted combustion has been focused on for achieving more efficient combustion way of fossil fuels, reducing pollutants and so on. Shinohara et al has reported that the flame length of methane and air premixed burner shortened by irradiating microwave power without increase of gas temperature. This suggests that electrons heated by microwave electric field assist the combustion. They also measured emission from 2nd Positive Band System (2nd PBS) of nitrogen during the irradiation. To clarify this mechanism, electron behavior under microwave power should be examined. To obtain electron transport parameters, electron Monte Carlo simulations in methane and air mixture gas have been done. A simple model has been developed to simulate inside the flame. To make this model simple, some assumptions are made. The electrons diffuse from the combustion plasma region. And the electrons quickly reach their equilibrium state. And it is found that the simulated emission from 2nd PBS agrees with the experimental result. This work was supported by KAKENHI (22340170).

Applying 3-PG, a simple process-based model designed to produce practical results, to data from loblolly pine experiments

Treesearch

Joe J. Landsberg; Kurt H. Johnsen; Timothy J. Albaugh; H. Lee Allen; Steven E. McKeand

2001-01-01

3-PG is a simple process-based model that requires few parameter values and only readily available input data. We tested the structure of the model by calibrating it against loblolly pine data from the control treatment of the SETRES experiment in Scotland County, NC, then altered the fertility rating to simulate the effects of fertilization. There was excellent...

Coulomb explosion of uniformly charged spheroids

NASA Astrophysics Data System (ADS)

Grech, M.; Nuter, R.; Mikaberidze, A.; di Cintio, P.; Gremillet, L.; Lefebvre, E.; Saalmann, U.; Rost, J. M.; Skupin, S.

2011-11-01

A simple, semianalytical model is proposed for nonrelativistic Coulomb explosion of a uniformly charged spheroid. This model allows us to derive the time-dependent particle energy distributions. Simple expressions are also given for the characteristic explosion time and maximum particle energies in the limits of extreme prolate and oblate spheroids as well as for the sphere. Results of particle simulations are found to be in remarkably good agreement with the model.

The Oceanographic Multipurpose Software Environment (OMUSE v1.0)

NASA Astrophysics Data System (ADS)

Pelupessy, Inti; van Werkhoven, Ben; van Elteren, Arjen; Viebahn, Jan; Candy, Adam; Portegies Zwart, Simon; Dijkstra, Henk

2017-08-01

In this paper we present the Oceanographic Multipurpose Software Environment (OMUSE). OMUSE aims to provide a homogeneous environment for existing or newly developed numerical ocean simulation codes, simplifying their use and deployment. In this way, numerical experiments that combine ocean models representing different physics or spanning different ranges of physical scales can be easily designed. Rapid development of simulation models is made possible through the creation of simple high-level scripts. The low-level core of the abstraction in OMUSE is designed to deploy these simulations efficiently on heterogeneous high-performance computing resources. Cross-verification of simulation models with different codes and numerical methods is facilitated by the unified interface that OMUSE provides. Reproducibility in numerical experiments is fostered by allowing complex numerical experiments to be expressed in portable scripts that conform to a common OMUSE interface. Here, we present the design of OMUSE as well as the modules and model components currently included, which range from a simple conceptual quasi-geostrophic solver to the global circulation model POP (Parallel Ocean Program). The uniform access to the codes' simulation state and the extensive automation of data transfer and conversion operations aids the implementation of model couplings. We discuss the types of couplings that can be implemented using OMUSE. We also present example applications that demonstrate the straightforward model initialization and the concurrent use of data analysis tools on a running model. We give examples of multiscale and multiphysics simulations by embedding a regional ocean model into a global ocean model and by coupling a surface wave propagation model with a coastal circulation model.

Brownian dynamics simulations with stiff finitely extensible nonlinear elastic-Fraenkel springs as approximations to rods in bead-rod models.

PubMed

Hsieh, Chih-Chen; Jain, Semant; Larson, Ronald G

2006-01-28

A very stiff finitely extensible nonlinear elastic (FENE)-Fraenkel spring is proposed to replace the rigid rod in the bead-rod model. This allows the adoption of a fast predictor-corrector method so that large time steps can be taken in Brownian dynamics (BD) simulations without over- or understretching the stiff springs. In contrast to the simple bead-rod model, BD simulations with beads and FENE-Fraenkel (FF) springs yield a random-walk configuration at equilibrium. We compare the simulation results of the free-draining bead-FF-spring model with those for the bead-rod model in relaxation, start-up of uniaxial extensional, and simple shear flows, and find that both methods generate nearly identical results. The computational cost per time step for a free-draining BD simulation with the proposed bead-FF-spring model is about twice as high as the traditional bead-rod model with the midpoint algorithm of Liu [J. Chem. Phys. 90, 5826 (1989)]. Nevertheless, computations with the bead-FF-spring model are as efficient as those with the bead-rod model in extensional flow because the former allows larger time steps. Moreover, the Brownian contribution to the stress for the bead-FF-spring model is isotropic and therefore simplifies the calculation of the polymer stresses. In addition, hydrodynamic interaction can more easily be incorporated into the bead-FF-spring model than into the bead-rod model since the metric force arising from the non-Cartesian coordinates used in bead-rod simulations is absent from bead-spring simulations. Finally, with our newly developed bead-FF-spring model, existing computer codes for the bead-spring models can trivially be converted to ones for effective bead-rod simulations merely by replacing the usual FENE or Cohen spring law with a FENE-Fraenkel law, and this convertibility provides a very convenient way to perform multiscale BD simulations.

Brownian dynamics simulations with stiff finitely extensible nonlinear elastic-Fraenkel springs as approximations to rods in bead-rod models

NASA Astrophysics Data System (ADS)

Hsieh, Chih-Chen; Jain, Semant; Larson, Ronald G.

2006-01-01

A very stiff finitely extensible nonlinear elastic (FENE)-Fraenkel spring is proposed to replace the rigid rod in the bead-rod model. This allows the adoption of a fast predictor-corrector method so that large time steps can be taken in Brownian dynamics (BD) simulations without over- or understretching the stiff springs. In contrast to the simple bead-rod model, BD simulations with beads and FENE-Fraenkel (FF) springs yield a random-walk configuration at equilibrium. We compare the simulation results of the free-draining bead-FF-spring model with those for the bead-rod model in relaxation, start-up of uniaxial extensional, and simple shear flows, and find that both methods generate nearly identical results. The computational cost per time step for a free-draining BD simulation with the proposed bead-FF-spring model is about twice as high as the traditional bead-rod model with the midpoint algorithm of Liu [J. Chem. Phys. 90, 5826 (1989)]. Nevertheless, computations with the bead-FF-spring model are as efficient as those with the bead-rod model in extensional flow because the former allows larger time steps. Moreover, the Brownian contribution to the stress for the bead-FF-spring model is isotropic and therefore simplifies the calculation of the polymer stresses. In addition, hydrodynamic interaction can more easily be incorporated into the bead-FF-spring model than into the bead-rod model since the metric force arising from the non-Cartesian coordinates used in bead-rod simulations is absent from bead-spring simulations. Finally, with our newly developed bead-FF-spring model, existing computer codes for the bead-spring models can trivially be converted to ones for effective bead-rod simulations merely by replacing the usual FENE or Cohen spring law with a FENE-Fraenkel law, and this convertibility provides a very convenient way to perform multiscale BD simulations.

Spectrum simulation in DTSA-II.

PubMed

Ritchie, Nicholas W M

2009-10-01

Spectrum simulation is a useful practical and pedagogical tool. Particularly with complex samples or trace constituents, a simulation can help to understand the limits of the technique and the instrument parameters for the optimal measurement. DTSA-II, software for electron probe microanalysis, provides both easy to use and flexible tools for simulating common and less common sample geometries and materials. Analytical models based on (rhoz) curves provide quick simulations of simple samples. Monte Carlo models based on electron and X-ray transport provide more sophisticated models of arbitrarily complex samples. DTSA-II provides a broad range of simulation tools in a framework with many different interchangeable physical models. In addition, DTSA-II provides tools for visualizing, comparing, manipulating, and quantifying simulated and measured spectra.

Modeling 2D and 3D diffusion.

PubMed

Saxton, Michael J

2007-01-01

Modeling obstructed diffusion is essential to the understanding of diffusion-mediated processes in the crowded cellular environment. Simple Monte Carlo techniques for modeling obstructed random walks are explained and related to Brownian dynamics and more complicated Monte Carlo methods. Random number generation is reviewed in the context of random walk simulations. Programming techniques and event-driven algorithms are discussed as ways to speed simulations.

Fitting neuron models to spike trains.

PubMed

Rossant, Cyrille; Goodman, Dan F M; Fontaine, Bertrand; Platkiewicz, Jonathan; Magnusson, Anna K; Brette, Romain

2011-01-01

Computational modeling is increasingly used to understand the function of neural circuits in systems neuroscience. These studies require models of individual neurons with realistic input-output properties. Recently, it was found that spiking models can accurately predict the precisely timed spike trains produced by cortical neurons in response to somatically injected currents, if properly fitted. This requires fitting techniques that are efficient and flexible enough to easily test different candidate models. We present a generic solution, based on the Brian simulator (a neural network simulator in Python), which allows the user to define and fit arbitrary neuron models to electrophysiological recordings. It relies on vectorization and parallel computing techniques to achieve efficiency. We demonstrate its use on neural recordings in the barrel cortex and in the auditory brainstem, and confirm that simple adaptive spiking models can accurately predict the response of cortical neurons. Finally, we show how a complex multicompartmental model can be reduced to a simple effective spiking model.

Improved CORF model of simple cell combined with non-classical receptive field and its application on edge detection

NASA Astrophysics Data System (ADS)

Sun, Xiao; Chai, Guobei; Liu, Wei; Bao, Wenzhuo; Zhao, Xiaoning; Ming, Delie

2018-02-01

Simple cells in primary visual cortex are believed to extract local edge information from a visual scene. In this paper, inspired by different receptive field properties and visual information flow paths of neurons, an improved Combination of Receptive Fields (CORF) model combined with non-classical receptive fields was proposed to simulate the responses of simple cell's receptive fields. Compared to the classical model, the proposed model is able to better imitate simple cell's physiologic structure with consideration of facilitation and suppression of non-classical receptive fields. And on this base, an edge detection algorithm as an application of the improved CORF model was proposed. Experimental results validate the robustness of the proposed algorithm to noise and background interference.

Effect of land model ensemble versus coupled model ensemble on the simulation of precipitation climatology and variability

NASA Astrophysics Data System (ADS)

Wei, Jiangfeng; Dirmeyer, Paul A.; Yang, Zong-Liang; Chen, Haishan

2017-10-01

Through a series of model simulations with an atmospheric general circulation model coupled to three different land surface models, this study investigates the impacts of land model ensembles and coupled model ensemble on precipitation simulation. It is found that coupling an ensemble of land models to an atmospheric model has a very minor impact on the improvement of precipitation climatology and variability, but a simple ensemble average of the precipitation from three individually coupled land-atmosphere models produces better results, especially for precipitation variability. The generally weak impact of land processes on precipitation should be the main reason that the land model ensembles do not improve precipitation simulation. However, if there are big biases in the land surface model or land surface data set, correcting them could improve the simulated climate, especially for well-constrained regional climate simulations.

Application of a simple power law for transport ratio with bimodal distributions of spherical grains under oscillatory forcing

NASA Astrophysics Data System (ADS)

Holway, Kevin; Thaxton, Christopher S.; Calantoni, Joseph

2012-11-01

Morphodynamic models of coastal evolution require relatively simple parameterizations of sediment transport for application over larger scales. Calantoni and Thaxton (2008) [6] presented a transport parameterization for bimodal distributions of coarse quartz grains derived from detailed boundary layer simulations for sheet flow and near sheet flow conditions. The simulation results, valid over a range of wave forcing conditions and large- to small-grain diameter ratios, were successfully parameterized with a simple power law that allows for the prediction of the transport rates of each size fraction. Here, we have applied the simple power law to a two-dimensional cellular automaton to simulate sheet flow transport. Model results are validated with experiments performed in the small oscillating flow tunnel (S-OFT) at the Naval Research Laboratory at Stennis Space Center, MS, in which sheet flow transport was generated with a bed composed of a bimodal distribution of non-cohesive grains. The work presented suggests that, under the conditions specified, algorithms that incorporate the power law may correctly reproduce laboratory bed surface measurements of bimodal sheet flow transport while inherently incorporating vertical mixing by size.

Numerical Simulation of the Perrin-Like Experiments

ERIC Educational Resources Information Center

Mazur, Zygmunt; Grech, Dariusz

2008-01-01

A simple model of the random Brownian walk of a spherical mesoscopic particle in viscous liquids is proposed. The model can be solved analytically and simulated numerically. The analytic solution gives the known Einstein-Smoluchowski diffusion law r[superscript 2] = 2Dt, where the diffusion constant D is expressed by the mass and geometry of a…

A simulation of water pollution model parameter estimation

NASA Technical Reports Server (NTRS)

Kibler, J. F.

1976-01-01

A parameter estimation procedure for a water pollution transport model is elaborated. A two-dimensional instantaneous-release shear-diffusion model serves as representative of a simple transport process. Pollution concentration levels are arrived at via modeling of a remote-sensing system. The remote-sensed data are simulated by adding Gaussian noise to the concentration level values generated via the transport model. Model parameters are estimated from the simulated data using a least-squares batch processor. Resolution, sensor array size, and number and location of sensor readings can be found from the accuracies of the parameter estimates.

The application of the thermodynamic perturbation theory to study the hydrophobic hydration.

PubMed

Mohoric, Tomaz; Urbic, Tomaz; Hribar-Lee, Barbara

2013-07-14

The thermodynamic perturbation theory was tested against newly obtained Monte Carlo computer simulations to describe the major features of the hydrophobic effect in a simple 3D-Mercedes-Benz water model: the temperature and hydrophobe size dependence on entropy, enthalpy, and free energy of transfer of a simple hydrophobic solute into water. An excellent agreement was obtained between the theoretical and simulation results. Further, the thermodynamic perturbation theory qualitatively correctly (with respect to the experimental data) describes the solvation thermodynamics under conditions where the simulation results are difficult to obtain with good enough accuracy, e.g., at high pressures.

The application of the thermodynamic perturbation theory to study the hydrophobic hydration

NASA Astrophysics Data System (ADS)

Mohorič, Tomaž; Urbic, Tomaz; Hribar-Lee, Barbara

2013-07-01

The thermodynamic perturbation theory was tested against newly obtained Monte Carlo computer simulations to describe the major features of the hydrophobic effect in a simple 3D-Mercedes-Benz water model: the temperature and hydrophobe size dependence on entropy, enthalpy, and free energy of transfer of a simple hydrophobic solute into water. An excellent agreement was obtained between the theoretical and simulation results. Further, the thermodynamic perturbation theory qualitatively correctly (with respect to the experimental data) describes the solvation thermodynamics under conditions where the simulation results are difficult to obtain with good enough accuracy, e.g., at high pressures.

Investigation of blood flow in the external carotid artery and its branches with a new 0D peripheral model.

PubMed

Ohhara, Yoshihito; Oshima, Marie; Iwai, Toshinori; Kitajima, Hiroaki; Yajima, Yasuharu; Mitsudo, Kenji; Krdy, Absy; Tohnai, Iwai

2016-02-04

Patient-specific modelling in clinical studies requires a realistic simulation to be performed within a reasonable computational time. The aim of this study was to develop simple but realistic outflow boundary conditions for patient-specific blood flow simulation which can be used to clarify the distribution of the anticancer agent in intra-arterial chemotherapy for oral cancer. In this study, the boundary conditions are expressed as a zero dimension (0D) resistance model of the peripheral vessel network based on the fractal characteristics of branching arteries combined with knowledge of the circulatory system and the energy minimization principle. This resistance model was applied to four patient-specific blood flow simulations at the region where the common carotid artery bifurcates into the internal and external carotid arteries. Results of these simulations with the proposed boundary conditions were compared with the results of ultrasound measurements for the same patients. The pressure was found to be within the physiological range. The difference in velocity in the superficial temporal artery results in an error of 5.21 ± 0.78 % between the numerical results and the measurement data. The proposed outflow boundary conditions, therefore, constitute a simple resistance-based model and can be used for performing accurate simulations with commercial fluid dynamics software.

Introducing Multisensor Satellite Radiance-Based Evaluation for Regional Earth System Modeling

NASA Technical Reports Server (NTRS)

Matsui, T.; Santanello, J.; Shi, J. J.; Tao, W.-K.; Wu, D.; Peters-Lidard, C.; Kemp, E.; Chin, M.; Starr, D.; Sekiguchi, M.;

Wake Vortex Prediction Models for Decay and Transport Within Stratified Environments

NASA Astrophysics Data System (ADS)

Switzer, George F.; Proctor, Fred H.

2002-01-01

This paper proposes two simple models to predict vortex transport and decay. The models are determined empirically from results of three-dimensional large eddy simulations, and are applicable to wake vortices out of ground effect and not subjected to environmental winds. The results, from the large eddy simulations assume a range of ambient turbulence and stratification levels. The models and the results from the large eddy simulations support the hypothesis that the decay of the vortex hazard is decoupled from its change in descent rate.

Simplicity and efficiency of integrate-and-fire neuron models.

PubMed

Plesser, Hans E; Diesmann, Markus

2009-02-01

Lovelace and Cios (2008) recently proposed a very simple spiking neuron (VSSN) model for simulations of large neuronal networks as an efficient replacement for the integrate-and-fire neuron model. We argue that the VSSN model falls behind key advances in neuronal network modeling over the past 20 years, in particular, techniques that permit simulators to compute the state of the neuron without repeated summation over the history of input spikes and to integrate the subthreshold dynamics exactly. State-of-the-art solvers for networks of integrate-and-fire model neurons are substantially more efficient than the VSSN simulator and allow routine simulations of networks of some 10(5) neurons and 10(9) connections on moderate computer clusters.

A simple, analytic 3-dimensional downburst model based on boundary layer stagnation flow

NASA Technical Reports Server (NTRS)

Oseguera, Rosa M.; Bowles, Roland L.

1988-01-01

A simple downburst model is developed for use in batch and real-time piloted simulation studies of guidance strategies for terminal area transport aircraft operations in wind shear conditions. The model represents an axisymmetric stagnation point flow, based on velocity profiles from the Terminal Area Simulation System (TASS) model developed by Proctor and satisfies the mass continuity equation in cylindrical coordinates. Altitude dependence, including boundary layer effects near the ground, closely matches real-world measurements, as do the increase, peak, and decay of outflow and downflow with increasing distance from the downburst center. Equations for horizontal and vertical winds were derived, and found to be infinitely differentiable, with no singular points existent in the flow field. In addition, a simple relationship exists among the ratio of maximum horizontal to vertical velocities, the downdraft radius, depth of outflow, and altitude of maximum outflow. In use, a microburst can be modeled by specifying four characteristic parameters, velocity components in the x, y and z directions, and the corresponding nine partial derivatives are obtained easily from the velocity equations.

Phototactic orientation mechanism in the ciliate Fabrea salina, as inferred from numerical simulations.

PubMed

Marangoni, R; Preosti, G; Colombetti, G

2000-02-01

The marine ciliate Fabrea salina shows a clear positive phototaxis, but the mechanism by which a single cell is able to detect the direction of light and orient its swimming accordingly is still unknown. A simple model of phototaxis is that of a biased random walk, where the bias due to light can affect one or more of the parameters that characterize a random walk, i.e., the mean speed, the frequency distribution of the angles of directional changes and the frequency of directional changes. Since experimental evidence has shown no effect of light on the mean speed of Fabrea salina, we have excluded models depending on this parameter. We have, therefore, investigated the phototactic orientation of Fabrea salina by computer simulation of two simple models, the first where light affects the frequency distribution of the angles of directional changes (model M1) and the second where the light bias modifies the frequency of directional changes (model M2). Simulated M1 cells directly orient their swimming towards the direction of light, regardless of their current swimming orientation; simulated M2 cells, on the contrary, are unable to actively orient their motion, but remain locked along the light direction once they find it by chance. The simulations show that these two orientation models lead to different macroscopic behaviours of the simulated cell populations. By comparing the results of the simulations with the experimental ones, we have found that the phototactic behaviour of real cells is more similar to that of the M2 model.

Model Checking Satellite Operational Procedures

NASA Astrophysics Data System (ADS)

Cavaliere, Federico; Mari, Federico; Melatti, Igor; Minei, Giovanni; Salvo, Ivano; Tronci, Enrico; Verzino, Giovanni; Yushtein, Yuri

2011-08-01

We present a model checking approach for the automatic verification of satellite operational procedures (OPs). Building a model for a complex system as a satellite is a hard task. We overcome this obstruction by using a suitable simulator (SIMSAT) for the satellite. Our approach aims at improving OP quality assurance by automatic exhaustive exploration of all possible simulation scenarios. Moreover, our solution decreases OP verification costs by using a model checker (CMurphi) to automatically drive the simulator. We model OPs as user-executed programs observing the simulator telemetries and sending telecommands to the simulator. In order to assess feasibility of our approach we present experimental results on a simple meaningful scenario. Our results show that we can save up to 90% of verification time.

Overview of a simple model describing variation of dissolved organic carbon in an upland catchment

USGS Publications Warehouse

Boyer, Elizabeth W.; Hornberger, George M.; Bencala, Kenneth E.; McKnight, Diane M.

1996-01-01

Hydrological mechanisms controlling the variation of dissolved organic carbon (DOC) were investigated in the Deer Creek catchment located near Montezuma, CO. Patterns of DOC in streamflow suggested that increased flows through the upper soil horizon during snowmelt are responsible for flushing this DOC-enriched interstitial water to the streams. We examined possible hydrological mechanisms to explain the observed variability of DOC in Deer Creek by first simulating the hydrological response of the catchment using TOPMODEL and then routing the predicted flows through a simple model that accounted for temporal changes in DOC. Conceptually the DOC model can be taken to represent a terrestrial (soil) reservoir in which DOC builds up during low flow periods and is flushed out when infiltrating meltwaters cause the water table to rise into this “reservoir”. Concentrations of DOC measured in the upper soil and in streamflow were compared to model simulations. The simulated DOC response provides a reasonable reproduction of the observed dynamics of DOC in the stream at Deer Creek.

Forgetfulness can help you win games.

PubMed

Burridge, James; Gao, Yu; Mao, Yong

2015-09-01

We present a simple game model where agents with different memory lengths compete for finite resources. We show by simulation and analytically that an instability exists at a critical memory length, and as a result, different memory lengths can compete and coexist in a dynamical equilibrium. Our analytical formulation makes a connection to statistical urn models, and we show that temperature is mirrored by the agent's memory. Our simple model of memory may be incorporated into other game models with implications that we briefly discuss.

Computer simulation of stochastic processes through model-sampling (Monte Carlo) techniques.

PubMed

Sheppard, C W.

1969-03-01

A simple Monte Carlo simulation program is outlined which can be used for the investigation of random-walk problems, for example in diffusion, or the movement of tracers in the blood circulation. The results given by the simulation are compared with those predicted by well-established theory, and it is shown how the model can be expanded to deal with drift, and with reflexion from or adsorption at a boundary.

Longitudinal train dynamics model for a rail transit simulation system

DOE PAGES

Wang, Jinghui; Rakha, Hesham A.

2018-01-01

The paper develops a longitudinal train dynamics model in support of microscopic railway transportation simulation. The model can be calibrated without any mechanical data making it ideal for implementation in transportation simulators. The calibration and validation work is based on data collected from the Portland light rail train fleet. The calibration procedure is mathematically formulated as a constrained non-linear optimization problem. The validity of the model is assessed by comparing instantaneous model predictions against field observations, and also evaluated in the domains of acceleration/deceleration versus speed and acceleration/deceleration versus distance. A test is conducted to investigate the adequacy of themore » model in simulation implementation. The results demonstrate that the proposed model can adequately capture instantaneous train dynamics, and provides good performance in the simulation test. Thus, the model provides a simple theoretical foundation for microscopic simulators and will significantly support the planning, management and control of railway transportation systems.« less

Longitudinal train dynamics model for a rail transit simulation system

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

Wang, Jinghui; Rakha, Hesham A.

The paper develops a longitudinal train dynamics model in support of microscopic railway transportation simulation. The model can be calibrated without any mechanical data making it ideal for implementation in transportation simulators. The calibration and validation work is based on data collected from the Portland light rail train fleet. The calibration procedure is mathematically formulated as a constrained non-linear optimization problem. The validity of the model is assessed by comparing instantaneous model predictions against field observations, and also evaluated in the domains of acceleration/deceleration versus speed and acceleration/deceleration versus distance. A test is conducted to investigate the adequacy of themore » model in simulation implementation. The results demonstrate that the proposed model can adequately capture instantaneous train dynamics, and provides good performance in the simulation test. Thus, the model provides a simple theoretical foundation for microscopic simulators and will significantly support the planning, management and control of railway transportation systems.« less

Simulation and analysis of a model dinoflagellate predator-prey system

NASA Astrophysics Data System (ADS)

Mazzoleni, M. J.; Antonelli, T.; Coyne, K. J.; Rossi, L. F.

2015-12-01

This paper analyzes the dynamics of a model dinoflagellate predator-prey system and uses simulations to validate theoretical and experimental studies. A simple model for predator-prey interactions is derived by drawing upon analogies from chemical kinetics. This model is then modified to account for inefficiencies in predation. Simulation results are shown to closely match the model predictions. Additional simulations are then run which are based on experimental observations of predatory dinoflagellate behavior, and this study specifically investigates how the predatory dinoflagellate Karlodinium veneficum uses toxins to immobilize its prey and increase its feeding rate. These simulations account for complex dynamics that were not included in the basic models, and the results from these computational simulations closely match the experimentally observed predatory behavior of K. veneficum and reinforce the notion that predatory dinoflagellates utilize toxins to increase their feeding rate.

Simulation Speed Analysis and Improvements of Modelica Models for Building Energy Simulation

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

Jorissen, Filip; Wetter, Michael; Helsen, Lieve

This paper presents an approach for speeding up Modelica models. Insight is provided into how Modelica models are solved and what determines the tool’s computational speed. Aspects such as algebraic loops, code efficiency and integrator choice are discussed. This is illustrated using simple building simulation examples and Dymola. The generality of the work is in some cases verified using OpenModelica. Using this approach, a medium sized office building including building envelope, heating ventilation and air conditioning (HVAC) systems and control strategy can be simulated at a speed five hundred times faster than real time.

In-to-Out Body Antenna-Independent Path Loss Model for Multilayered Tissues and Heterogeneous Medium

PubMed Central

Kurup, Divya; Vermeeren, Günter; Tanghe, Emmeric; Joseph, Wout; Martens, Luc

2015-01-01

In this paper, we investigate multilayered lossy and heterogeneous media for wireless body area networks (WBAN) to develop a simple, fast and efficient analytical in-to-out body path loss (PL) model at 2.45 GHz and, thus, avoid time-consuming simulations. The PL model is an antenna-independent model and is validated with simulations in layered medium, as well as in a 3D human model using electromagnetic solvers. PMID:25551483

Development of a bi-equilibrium model for biomass gasification in a downdraft bed reactor.

PubMed

Biagini, Enrico; Barontini, Federica; Tognotti, Leonardo

2016-02-01

This work proposes a simple and accurate tool for predicting the main parameters of biomass gasification (syngas composition, heating value, flow rate), suitable for process study and system analysis. A multizonal model based on non-stoichiometric equilibrium models and a repartition factor, simulating the bypass of pyrolysis products through the oxidant zone, was developed. The results of tests with different feedstocks (corn cobs, wood pellets, rice husks and vine pruning) in a demonstrative downdraft gasifier (350kW) were used for validation. The average discrepancy between model and experimental results was up to 8 times less than the one with the simple equilibrium model. The repartition factor was successfully related to the operating conditions and characteristics of the biomass to simulate different conditions of the gasifier (variation in potentiality, densification and mixing of feedstock) and analyze the model sensitivity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Modeling Simple Driving Tasks with a One-Boundary Diffusion Model

PubMed Central

Ratcliff, Roger; Strayer, David

2014-01-01

A one-boundary diffusion model was applied to the data from two experiments in which subjects were performing a simple simulated driving task. In the first experiment, the same subjects were tested on two driving tasks using a PC-based driving simulator and the psychomotor vigilance test (PVT). The diffusion model fit the response time (RT) distributions for each task and individual subject well. Model parameters were found to correlate across tasks which suggests common component processes were being tapped in the three tasks. The model was also fit to a distracted driving experiment of Cooper and Strayer (2008). Results showed that distraction altered performance by affecting the rate of evidence accumulation (drift rate) and/or increasing the boundary settings. This provides an interpretation of cognitive distraction whereby conversing on a cell phone diverts attention from the normal accumulation of information in the driving environment. PMID:24297620

A Simple ELISA Exercise for Undergraduate Biology.

ERIC Educational Resources Information Center

Baker, William P.; Moore, Cathy R.

Understanding of immunological techniques such as the Enzyme Linked Immuno Sorbent Assay (ELISA) is an important part of instructional units in human health, developmental biology, microbiology, and biotechnology. This paper describes a simple ELISA exercise for undergraduate biology that effectively simulates the technique using a paper model.…

Communication: Simple liquids' high-density viscosity

NASA Astrophysics Data System (ADS)

Costigliola, Lorenzo; Pedersen, Ulf R.; Heyes, David M.; Schrøder, Thomas B.; Dyre, Jeppe C.

2018-02-01

This paper argues that the viscosity of simple fluids at densities above that of the triple point is a specific function of temperature relative to the freezing temperature at the density in question. The proposed viscosity expression, which is arrived at in part by reference to the isomorph theory of systems with hidden scale invariance, describes computer simulations of the Lennard-Jones system as well as argon and methane experimental data and simulation results for an effective-pair-potential model of liquid sodium.

Integrated Reconfigurable Intelligent Systems (IRIS) for Complex Naval Systems

DTIC Science & Technology

2011-02-23

INTRODUCTION 35 2.2 GENERAL MODEL SETUP 36 2.2.1 Co-Simulation Principles 36 2.2.2 Double pendulum : a simple example 38 2.2.3 Description of numerical... pendulum sample problem 45 2.3 DISCUSSION OF APPROACH WITH RESPECT TO PROPOSED SUBTASKS 49 2.4 RESULTS DISCUSSION AND FUTURE WORK 49 TASK 3...Kim and Praehofer 2000]. 2.2.2 Double pendulum : a simple example In order to be able to evaluate co-simulation principles, specifically an

A Simple Classification Model for Debriefing Simulation Games

ERIC Educational Resources Information Center

Peters, Vincent A. M.; Vissers, Geert A. N.

2004-01-01

Debriefing is an important phase in using simulation games. Participants are invited to make a connection between experiences gained from playing the game and experiences in real-life situations. Thus, debriefing is the phase meant to encourage learning from the simulation game. Although design and practice of debriefing sessions should be aligned…

A Lattice Boltzmann Method for Turbomachinery Simulations

NASA Technical Reports Server (NTRS)

Hsu, A. T.; Lopez, I.

2003-01-01

Lattice Boltzmann (LB) Method is a relatively new method for flow simulations. The start point of LB method is statistic mechanics and Boltzmann equation. The LB method tries to set up its model at molecular scale and simulate the flow at macroscopic scale. LBM has been applied to mostly incompressible flows and simple geometry.

A simple, analytical, axisymmetric microburst model for downdraft estimation

NASA Technical Reports Server (NTRS)

Vicroy, Dan D.

1991-01-01

A simple analytical microburst model was developed for use in estimating vertical winds from horizontal wind measurements. It is an axisymmetric, steady state model that uses shaping functions to satisfy the mass continuity equation and simulate boundary layer effects. The model is defined through four model variables: the radius and altitude of the maximum horizontal wind, a shaping function variable, and a scale factor. The model closely agrees with a high fidelity analytical model and measured data, particularily in the radial direction and at lower altitudes. At higher altitudes, the model tends to overestimate the wind magnitude relative to the measured data.

Learning from physics-based earthquake simulators: a minimal approach

NASA Astrophysics Data System (ADS)

Artale Harris, Pietro; Marzocchi, Warner; Melini, Daniele

2017-04-01

Physics-based earthquake simulators are aimed to generate synthetic seismic catalogs of arbitrary length, accounting for fault interaction, elastic rebound, realistic fault networks, and some simple earthquake nucleation process like rate and state friction. Through comparison of synthetic and real catalogs seismologists can get insights on the earthquake occurrence process. Moreover earthquake simulators can be used to to infer some aspects of the statistical behavior of earthquakes within the simulated region, by analyzing timescales not accessible through observations. The develoment of earthquake simulators is commonly led by the approach "the more physics, the better", pushing seismologists to go towards simulators more earth-like. However, despite the immediate attractiveness, we argue that this kind of approach makes more and more difficult to understand which physical parameters are really relevant to describe the features of the seismic catalog at which we are interested. For this reason, here we take an opposite minimal approach and analyze the behavior of a purposely simple earthquake simulator applied to a set of California faults. The idea is that a simple model may be more informative than a complex one for some specific scientific objectives, because it is more understandable. The model has three main components: the first one is a realistic tectonic setting, i.e., a fault dataset of California; the other two components are quantitative laws for earthquake generation on each single fault, and the Coulomb Failure Function for modeling fault interaction. The final goal of this work is twofold. On one hand, we aim to identify the minimum set of physical ingredients that can satisfactorily reproduce the features of the real seismic catalog, such as short-term seismic cluster, and to investigate on the hypothetical long-term behavior, and faults synchronization. On the other hand, we want to investigate the limits of predictability of the model itself.

Inexpensive Laboratory Model with Many Applications.

ERIC Educational Resources Information Center

Archbold, Norbert L.; Johnson, Robert E.

1987-01-01

Presents a simple, inexpensive and realistic model which allows introductory geology students to obtain subsurface information through a simulated drilling experience. Offers ideas on additional applications to a variety of geologic situations. (ML)

Modeling and simulation of thermally actuated bilayer plates

NASA Astrophysics Data System (ADS)

Bartels, Sören; Bonito, Andrea; Muliana, Anastasia H.; Nochetto, Ricardo H.

2018-02-01

We present a mathematical model of polymer bilayers that undergo large bending deformations when actuated by non-mechanical stimuli such as thermal effects. The simple model captures a large class of nonlinear bending effects and can be discretized with standard plate elements. We devise a fully practical iterative scheme and apply it to the simulation of folding of several practically useful compliant structures comprising of thin elastic layers.

A Cellular Automata-based Model for Simulating Restitution Property in a Single Heart Cell.

PubMed

Sabzpoushan, Seyed Hojjat; Pourhasanzade, Fateme

2011-01-01

Ventricular fibrillation is the cause of the most sudden mortalities. Restitution is one of the specific properties of ventricular cell. The recent findings have clearly proved the correlation between the slope of restitution curve with ventricular fibrillation. This; therefore, mandates the modeling of cellular restitution to gain high importance. A cellular automaton is a powerful tool for simulating complex phenomena in a simple language. A cellular automaton is a lattice of cells where the behavior of each cell is determined by the behavior of its neighboring cells as well as the automata rule. In this paper, a simple model is depicted for the simulation of the property of restitution in a single cardiac cell using cellular automata. At first, two state variables; action potential and recovery are introduced in the automata model. In second, automata rule is determined and then recovery variable is defined in such a way so that the restitution is developed. In order to evaluate the proposed model, the generated restitution curve in our study is compared with the restitution curves from the experimental findings of valid sources. Our findings indicate that the presented model is not only capable of simulating restitution in cardiac cell, but also possesses the capability of regulating the restitution curve.

Mathematical Models of IABG Thermal-Vacuum Facilities

NASA Astrophysics Data System (ADS)

Doring, Daniel; Ulfers, Hendrik

2014-06-01

IABG in Ottobrunn, Germany, operates thermal-vacuum facilities of different sizes and complexities as a service for space-testing of satellites and components. One aspect of these tests is the qualification of the thermal control system that keeps all onboard components within their save operating temperature band. As not all possible operation / mission states can be simulated within a sensible test time, usually a subset of important and extreme states is tested at TV facilities to validate the thermal model of the satellite, which is then used to model all other possible mission states. With advances in the precision of customer thermal models, simple assumptions of the test environment (e.g. everything black & cold, one solar constant of light from this side) are no longer sufficient, as real space simulation chambers do deviate from this ideal. For example the mechanical adapters which support the spacecraft are usually not actively cooled. To enable IABG to provide a model that is sufficiently detailed and realistic for current system tests, Munich engineering company CASE developed ESATAN models for the two larger chambers. CASE has many years of experience in thermal analysis for space-flight systems and ESATAN. The two models represent the rather simple (and therefore very homogeneous) 3m-TVA and the extremely complex space simulation test facility and its solar simulator. The cooperation of IABG and CASE built up extensive knowledge of the facilities thermal behaviour. This is the key to optimally support customers with their test campaigns in the future. The ESARAD part of the models contains all relevant information with regard to geometry (CAD data), surface properties (optical measurements) and solar irradiation for the sun simulator. The temperature of the actively cooled thermal shrouds is measured and mapped to the thermal mesh to create the temperature field in the ESATAN part as boundary conditions. Both models comprise switches to easily establish multiple possible set-ups (e.g. exclude components like the motion system or enable / disable the solar simulator). Both models were validated by comparing calculated results (thermal balance temperatures for simple passive test articles) with measured temperatures generated in actual tests in these facilities. This paper presents information about the chambers, the modelling approach, properties of the models and their performance in the validation tests.

Planning acetabular fracture reduction using patient-specific multibody simulation of the hip

NASA Astrophysics Data System (ADS)

Oliveri, Hadrien; Boudissa, Mehdi; Tonetti, Jerome; Chabanas, Matthieu

2017-03-01

Acetabular fractures are a challenge in orthopedic surgery. Computer-aided solutions were proposed to segment bone fragments, simulate the fracture reduction or design the osteosynthesis fixation plates. This paper addresses the simulation part, which is usually carried out by freely moving bone fragments with six degrees of freedom to reproduce the pre-fracture state. Instead we propose a different paradigm, closer to actual surgeon's requirements: to simulate the surgical procedure itself rather than the desired result. A simple, patient-specific, biomechanical multibody model is proposed, integrating the main ligaments and muscles of the hip joint while accounting for contacts between bone fragments. Main surgical tools and actions can be simulated, such as clamps, Schanz screws or traction of the femur. Simulations are computed interactively, which enables clinicians to evaluate different strategies for an optimal surgical planning. Six retrospective cases were studied, with simple and complex fracture patterns. After interactively building the models from preoperative CT, gestures from the surgical reports were reproduced. Results of the simulations could then be compared with postoperative CT data. A qualitative study shows the model behavior is excellent and the simulated reductions fit the observed data. A more quantitative analysis is currently being completed. Two cases are particularly significant, for which the surgical reduction actually failed. Simulations show it was indeed not possible to reduce these fractures with the chosen approach. Had our simulator being used, a better planning may have avoided a second surgery to these patients.

The development of an autonomous rendezvous and docking simulation using rapid integration and prototyping technology

NASA Technical Reports Server (NTRS)

Shackelford, John H.; Saugen, John D.; Wurst, Michael J.; Adler, James

1991-01-01

A generic planar 3 degree of freedom simulation was developed that supports hardware in the loop simulations, guidance and control analysis, and can directly generate flight software. This simulation was developed in a small amount of time utilizing rapid prototyping techniques. The approach taken to develop this simulation tool, the benefits seen using this approach to development, and on-going efforts to improve and extend this capability are described. The simulation is composed of 3 major elements: (1) Docker dynamics model, (2) Dockee dynamics model, and (3) Docker Control System. The docker and dockee models are based on simple planar orbital dynamics equations using a spherical earth gravity model. The docker control system is based on a phase plane approach to error correction.

An accurate behavioral model for single-photon avalanche diode statistical performance simulation

NASA Astrophysics Data System (ADS)

Xu, Yue; Zhao, Tingchen; Li, Ding

2018-01-01

An accurate behavioral model is presented to simulate important statistical performance of single-photon avalanche diodes (SPADs), such as dark count and after-pulsing noise. The derived simulation model takes into account all important generation mechanisms of the two kinds of noise. For the first time, thermal agitation, trap-assisted tunneling and band-to-band tunneling mechanisms are simultaneously incorporated in the simulation model to evaluate dark count behavior of SPADs fabricated in deep sub-micron CMOS technology. Meanwhile, a complete carrier trapping and de-trapping process is considered in afterpulsing model and a simple analytical expression is derived to estimate after-pulsing probability. In particular, the key model parameters of avalanche triggering probability and electric field dependence of excess bias voltage are extracted from Geiger-mode TCAD simulation and this behavioral simulation model doesn't include any empirical parameters. The developed SPAD model is implemented in Verilog-A behavioral hardware description language and successfully operated on commercial Cadence Spectre simulator, showing good universality and compatibility. The model simulation results are in a good accordance with the test data, validating high simulation accuracy.

Simulation studies of self-organization of microtubules and molecular motors.

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

Jian, Z.; Karpeev, D.; Aranson, I. S.

We perform Monte Carlo type simulation studies of self-organization of microtubules interacting with molecular motors. We model microtubules as stiff polar rods of equal length exhibiting anisotropic diffusion in the plane. The molecular motors are implicitly introduced by specifying certain probabilistic collision rules resulting in realignment of the rods. This approximation of the complicated microtubule-motor interaction by a simple instant collision allows us to bypass the 'computational bottlenecks' associated with the details of the diffusion and the dynamics of motors and the reorientation of microtubules. Consequently, we are able to perform simulations of large ensembles of microtubules and motors onmore » a very large time scale. This simple model reproduces all important phenomenology observed in in vitro experiments: Formation of vortices for low motor density and raylike asters and bundles for higher motor density.« less

Direct simulation Monte Carlo modeling of relaxation processes in polyatomic gases

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

Pfeiffer, M., E-mail: mpfeiffer@irs.uni-stuttgart.de; Nizenkov, P., E-mail: nizenkov@irs.uni-stuttgart.de; Mirza, A., E-mail: mirza@irs.uni-stuttgart.de

2016-02-15

Relaxation processes of polyatomic molecules are modeled and implemented in an in-house Direct Simulation Monte Carlo code in order to enable the simulation of atmospheric entry maneuvers at Mars and Saturn’s Titan. The description of rotational and vibrational relaxation processes is derived from basic quantum-mechanics using a rigid rotator and a simple harmonic oscillator, respectively. Strategies regarding the vibrational relaxation process are investigated, where good agreement for the relaxation time according to the Landau-Teller expression is found for both methods, the established prohibiting double relaxation method and the new proposed multi-mode relaxation. Differences and applications areas of these two methodsmore » are discussed. Consequently, two numerical methods used for sampling of energy values from multi-dimensional distribution functions are compared. The proposed random-walk Metropolis algorithm enables the efficient treatment of multiple vibrational modes within a time step with reasonable computational effort. The implemented model is verified and validated by means of simple reservoir simulations and the comparison to experimental measurements of a hypersonic, carbon-dioxide flow around a flat-faced cylinder.« less

Direct simulation Monte Carlo modeling of relaxation processes in polyatomic gases

NASA Astrophysics Data System (ADS)

Pfeiffer, M.; Nizenkov, P.; Mirza, A.; Fasoulas, S.

2016-02-01

Relaxation processes of polyatomic molecules are modeled and implemented in an in-house Direct Simulation Monte Carlo code in order to enable the simulation of atmospheric entry maneuvers at Mars and Saturn's Titan. The description of rotational and vibrational relaxation processes is derived from basic quantum-mechanics using a rigid rotator and a simple harmonic oscillator, respectively. Strategies regarding the vibrational relaxation process are investigated, where good agreement for the relaxation time according to the Landau-Teller expression is found for both methods, the established prohibiting double relaxation method and the new proposed multi-mode relaxation. Differences and applications areas of these two methods are discussed. Consequently, two numerical methods used for sampling of energy values from multi-dimensional distribution functions are compared. The proposed random-walk Metropolis algorithm enables the efficient treatment of multiple vibrational modes within a time step with reasonable computational effort. The implemented model is verified and validated by means of simple reservoir simulations and the comparison to experimental measurements of a hypersonic, carbon-dioxide flow around a flat-faced cylinder.

Principles of protein folding--a perspective from simple exact models.

PubMed Central

Dill, K. A.; Bromberg, S.; Yue, K.; Fiebig, K. M.; Yee, D. P.; Thomas, P. D.; Chan, H. S.

1995-01-01

General principles of protein structure, stability, and folding kinetics have recently been explored in computer simulations of simple exact lattice models. These models represent protein chains at a rudimentary level, but they involve few parameters, approximations, or implicit biases, and they allow complete explorations of conformational and sequence spaces. Such simulations have resulted in testable predictions that are sometimes unanticipated: The folding code is mainly binary and delocalized throughout the amino acid sequence. The secondary and tertiary structures of a protein are specified mainly by the sequence of polar and nonpolar monomers. More specific interactions may refine the structure, rather than dominate the folding code. Simple exact models can account for the properties that characterize protein folding: two-state cooperativity, secondary and tertiary structures, and multistage folding kinetics--fast hydrophobic collapse followed by slower annealing. These studies suggest the possibility of creating "foldable" chain molecules other than proteins. The encoding of a unique compact chain conformation may not require amino acids; it may require only the ability to synthesize specific monomer sequences in which at least one monomer type is solvent-averse. PMID:7613459

Pilot/vehicle model analysis of visually guided flight

NASA Technical Reports Server (NTRS)

Zacharias, Greg L.

1991-01-01

Information is given in graphical and outline form on a pilot/vehicle model description, control of altitude with simple terrain clues, simulated flight with visual scene delays, model-based in-cockpit display design, and some thoughts on the role of pilot/vehicle modeling.

ALC: automated reduction of rule-based models

PubMed Central

Koschorreck, Markus; Gilles, Ernst Dieter

2008-01-01

Background Combinatorial complexity is a challenging problem for the modeling of cellular signal transduction since the association of a few proteins can give rise to an enormous amount of feasible protein complexes. The layer-based approach is an approximative, but accurate method for the mathematical modeling of signaling systems with inherent combinatorial complexity. The number of variables in the simulation equations is highly reduced and the resulting dynamic models show a pronounced modularity. Layer-based modeling allows for the modeling of systems not accessible previously. Results ALC (Automated Layer Construction) is a computer program that highly simplifies the building of reduced modular models, according to the layer-based approach. The model is defined using a simple but powerful rule-based syntax that supports the concepts of modularity and macrostates. ALC performs consistency checks on the model definition and provides the model output in different formats (C MEX, MATLAB, Mathematica and SBML) as ready-to-run simulation files. ALC also provides additional documentation files that simplify the publication or presentation of the models. The tool can be used offline or via a form on the ALC website. Conclusion ALC allows for a simple rule-based generation of layer-based reduced models. The model files are given in different formats as ready-to-run simulation files. PMID:18973705

A Simple and Accurate Method To Calculate Free Energy Profiles and Reaction Rates from Restrained Molecular Simulations of Diffusive Processes.

PubMed

Ovchinnikov, Victor; Nam, Kwangho; Karplus, Martin

2016-08-25

A method is developed to obtain simultaneously free energy profiles and diffusion constants from restrained molecular simulations in diffusive systems. The method is based on low-order expansions of the free energy and diffusivity as functions of the reaction coordinate. These expansions lead to simple analytical relationships between simulation statistics and model parameters. The method is tested on 1D and 2D model systems; its accuracy is found to be comparable to or better than that of the existing alternatives, which are briefly discussed. An important aspect of the method is that the free energy is constructed by integrating its derivatives, which can be computed without need for overlapping sampling windows. The implementation of the method in any molecular simulation program that supports external umbrella potentials (e.g., CHARMM) requires modification of only a few lines of code. As a demonstration of its applicability to realistic biomolecular systems, the method is applied to model the α-helix ↔ β-sheet transition in a 16-residue peptide in implicit solvent, with the reaction coordinate provided by the string method. Possible modifications of the method are briefly discussed; they include generalization to multidimensional reaction coordinates [in the spirit of the model of Ermak and McCammon (Ermak, D. L.; McCammon, J. A. J. Chem. Phys. 1978, 69, 1352-1360)], a higher-order expansion of the free energy surface, applicability in nonequilibrium systems, and a simple test for Markovianity. In view of the small overhead of the method relative to standard umbrella sampling, we suggest its routine application in the cases where umbrella potential simulations are appropriate.

The application of the thermodynamic perturbation theory to study the hydrophobic hydration

PubMed Central

Mohorič, Tomaž; Urbic, Tomaz; Hribar-Lee, Barbara

2013-01-01

The thermodynamic perturbation theory was tested against newly obtained Monte Carlo computer simulations to describe the major features of the hydrophobic effect in a simple 3D-Mercedes-Benz water model: the temperature and hydrophobe size dependence on entropy, enthalpy, and free energy of transfer of a simple hydrophobic solute into water. An excellent agreement was obtained between the theoretical and simulation results. Further, the thermodynamic perturbation theory qualitatively correctly (with respect to the experimental data) describes the solvation thermodynamics under conditions where the simulation results are difficult to obtain with good enough accuracy, e.g., at high pressures. PMID:23862923

Numerical simulation model of hyperacute/acute stage white matter infarction.

PubMed

Sakai, Koji; Yamada, Kei; Oouchi, Hiroyuki; Nishimura, Tsunehiko

2008-01-01

Although previous studies have revealed the mechanisms of changes in diffusivity (apparent diffusion coefficient [ADC]) in acute brain infarction, changes in diffusion anisotropy (fractional anisotropy [FA]) in white matter have not been examined. We hypothesized that membrane permeability as well as axonal swelling play important roles, and we therefore constructed a simulation model using random walk simulation to replicate the diffusion of water molecules. We implemented a numerical diffusion simulation model of normal and infarcted human brains using C++ language. We constructed this 2-pool model using simple tubes aligned in a single direction. Random walk simulation diffused water. Axon diameters and membrane permeability were then altered in step-wise fashion. To estimate the effects of axonal swelling, axon diameters were changed from 6 to 10 microm. Membrane permeability was altered from 0% to 40%. Finally, both elements were combined to explain increasing FA in the hyperacute stage of white matter infarction. The simulation demonstrated that simple water shift into the intracellular space reduces ADC and increases FA, but not to the extent expected from actual human cases (ADC approximately 50%; FA approximately +20%). Similarly, membrane permeability alone was insufficient to explain this phenomenon. However, a combination of both factors successfully replicated changes in diffusivity indices. Both axonal swelling and reduced membrane permeability appear important in explaining changes in ADC and FA based on eigenvalues in hyperacute-stage white matter infarction.

Edge Detection Based On the Characteristic of Primary Visual Cortex Cells

NASA Astrophysics Data System (ADS)

Zhu, M. M.; Xu, Y. L.; Ma, H. Q.

2018-01-01

Aiming at the problem that it is difficult to balance the accuracy of edge detection and anti-noise performance, and referring to the dynamic and static perceptions of the primary visual cortex (V1) cells, a V1 cell model is established to perform edge detection. A spatiotemporal filter is adopted to simulate the receptive field of V1 simple cells, the model V1 cell is obtained after integrating the responses of simple cells by half-wave rectification and normalization, Then the natural image edge is detected by using static perception of V1 cells. The simulation results show that, the V1 model can basically fit the biological data and has the universality of biology. What’s more, compared with other edge detection operators, the proposed model is more effective and has better robustness

The GRASP 3: Graphical Reliability Analysis Simulation Program. Version 3: A users' manual and modelling guide

NASA Technical Reports Server (NTRS)

Phillips, D. T.; Manseur, B.; Foster, J. W.

1982-01-01

Alternate definitions of system failure create complex analysis for which analytic solutions are available only for simple, special cases. The GRASP methodology is a computer simulation approach for solving all classes of problems in which both failure and repair events are modeled according to the probability laws of the individual components of the system.

Fully Resolved Simulations of 3D Printing

NASA Astrophysics Data System (ADS)

Tryggvason, Gretar; Xia, Huanxiong; Lu, Jiacai

2017-11-01

Numerical simulations of Fused Deposition Modeling (FDM) (or Fused Filament Fabrication) where a filament of hot, viscous polymer is deposited to ``print'' a three-dimensional object, layer by layer, are presented. A finite volume/front tracking method is used to follow the injection, cooling, solidification and shrinking of the filament. The injection of the hot melt is modeled using a volume source, combined with a nozzle, modeled as an immersed boundary, that follows a prescribed trajectory. The viscosity of the melt depends on the temperature and the shear rate and the polymer becomes immobile as its viscosity increases. As the polymer solidifies, the stress is found by assuming a hyperelastic constitutive equation. The method is described and its accuracy and convergence properties are tested by grid refinement studies for a simple setup involving two short filaments, one on top of the other. The effect of the various injection parameters, such as nozzle velocity and injection velocity are briefly examined and the applicability of the approach to simulate the construction of simple multilayer objects is shown. The role of fully resolved simulations for additive manufacturing and their use for novel processes and as the ``ground truth'' for reduced order models is discussed.

A simple simulation model as a tool to assess alternative health care provider payment reform options in Vietnam.

PubMed

Cashin, Cheryl; Phuong, Nguyen Khanh; Shain, Ryan; Oanh, Tran Thi Mai; Thuy, Nguyen Thi

2015-01-01

Vietnam is currently considering a revision of its 2008 Health Insurance Law, including the regulation of provider payment methods. This study uses a simple spreadsheet-based, micro-simulation model to analyse the potential impacts of different provider payment reform scenarios on resource allocation across health care providers in three provinces in Vietnam, as well as on the total expenditure of the provincial branches of the public health insurance agency (Provincial Social Security [PSS]). The results show that currently more than 50% of PSS spending is concentrated at the provincial level with less than half at the district level. There is also a high degree of financial risk on district hospitals with the current fund-holding arrangement. Results of the simulation model show that several alternative scenarios for provider payment reform could improve the current payment system by reducing the high financial risk currently borne by district hospitals without dramatically shifting the current level and distribution of PSS expenditure. The results of the simulation analysis provided an empirical basis for health policy-makers in Vietnam to assess different provider payment reform options and make decisions about new models to support health system objectives.

Fitting Neuron Models to Spike Trains

PubMed Central

Rossant, Cyrille; Goodman, Dan F. M.; Fontaine, Bertrand; Platkiewicz, Jonathan; Magnusson, Anna K.; Brette, Romain

2011-01-01

Computational modeling is increasingly used to understand the function of neural circuits in systems neuroscience. These studies require models of individual neurons with realistic input–output properties. Recently, it was found that spiking models can accurately predict the precisely timed spike trains produced by cortical neurons in response to somatically injected currents, if properly fitted. This requires fitting techniques that are efficient and flexible enough to easily test different candidate models. We present a generic solution, based on the Brian simulator (a neural network simulator in Python), which allows the user to define and fit arbitrary neuron models to electrophysiological recordings. It relies on vectorization and parallel computing techniques to achieve efficiency. We demonstrate its use on neural recordings in the barrel cortex and in the auditory brainstem, and confirm that simple adaptive spiking models can accurately predict the response of cortical neurons. Finally, we show how a complex multicompartmental model can be reduced to a simple effective spiking model. PMID:21415925

General order parameter based correlation analysis of protein backbone motions between experimental NMR relaxation measurements and molecular dynamics simulations

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

Liu, Qing; Shi, Chaowei; Yu, Lu

Internal backbone dynamic motions are essential for different protein functions and occur on a wide range of time scales, from femtoseconds to seconds. Molecular dynamic (MD) simulations and nuclear magnetic resonance (NMR) spin relaxation measurements are valuable tools to gain access to fast (nanosecond) internal motions. However, there exist few reports on correlation analysis between MD and NMR relaxation data. Here, backbone relaxation measurements of {sup 15}N-labeled SH3 (Src homology 3) domain proteins in aqueous buffer were used to generate general order parameters (S{sup 2}) using a model-free approach. Simultaneously, 80 ns MD simulations of SH3 domain proteins in amore » defined hydrated box at neutral pH were conducted and the general order parameters (S{sup 2}) were derived from the MD trajectory. Correlation analysis using the Gromos force field indicated that S{sup 2} values from NMR relaxation measurements and MD simulations were significantly different. MD simulations were performed on models with different charge states for three histidine residues, and with different water models, which were SPC (simple point charge) water model and SPC/E (extended simple point charge) water model. S{sup 2} parameters from MD simulations with charges for all three histidines and with the SPC/E water model correlated well with S{sup 2} calculated from the experimental NMR relaxation measurements, in a site-specific manner. - Highlights: • Correlation analysis between NMR relaxation measurements and MD simulations. • General order parameter (S{sup 2}) as common reference between the two methods. • Different protein dynamics with different Histidine charge states in neutral pH. • Different protein dynamics with different water models.« less

A cooperation and competition based simple cell receptive field model and study of feed-forward linear and nonlinear contributions to orientation selectivity.

PubMed

Bhaumik, Basabi; Mathur, Mona

2003-01-01

We present a model for development of orientation selectivity in layer IV simple cells. Receptive field (RF) development in the model, is determined by diffusive cooperation and resource limited competition guided axonal growth and retraction in geniculocortical pathway. The simulated cortical RFs resemble experimental RFs. The receptive field model is incorporated in a three-layer visual pathway model consisting of retina, LGN and cortex. We have studied the effect of activity dependent synaptic scaling on orientation tuning of cortical cells. The mean value of hwhh (half width at half the height of maximum response) in simulated cortical cells is 58 degrees when we consider only the linear excitatory contribution from LGN. We observe a mean improvement of 22.8 degrees in tuning response due to the non-linear spiking mechanisms that include effects of threshold voltage and synaptic scaling factor.

Computational Models of Laryngeal Aerodynamics: Potentials and Numerical Costs.

PubMed

Sadeghi, Hossein; Kniesburges, Stefan; Kaltenbacher, Manfred; Schützenberger, Anne; Döllinger, Michael

2018-02-07

Human phonation is based on the interaction between tracheal airflow and laryngeal dynamics. This fluid-structure interaction is based on the energy exchange between airflow and vocal folds. Major challenges in analyzing the phonatory process in-vivo are the small dimensions and the poor accessibility of the region of interest. For improved analysis of the phonatory process, numerical simulations of the airflow and the vocal fold dynamics have been suggested. Even though most of the models reproduced the phonatory process fairly well, development of comprehensive larynx models is still a subject of research. In the context of clinical application, physiological accuracy and computational model efficiency are of great interest. In this study, a simple numerical larynx model is introduced that incorporates the laryngeal fluid flow. It is based on a synthetic experimental model with silicone vocal folds. The degree of realism was successively increased in separate computational models and each model was simulated for 10 oscillation cycles. Results show that relevant features of the laryngeal flow field, such as glottal jet deflection, develop even when applying rather simple static models with oscillating flow rates. Including further phonatory components such as vocal fold motion, mucosal wave propagation, and ventricular folds, the simulations show phonatory key features like intraglottal flow separation and increased flow rate in presence of ventricular folds. The simulation time on 100 CPU cores ranged between 25 and 290 hours, currently restricting clinical application of these models. Nevertheless, results show high potential of numerical simulations for better understanding of phonatory process. Copyright © 2018 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

Dynamical minimalism: why less is more in psychology.

PubMed

Nowak, Andrzej

2004-01-01

The principle of parsimony, embraced in all areas of science, states that simple explanations are preferable to complex explanations in theory construction. Parsimony, however, can necessitate a trade-off with depth and richness in understanding. The approach of dynamical minimalism avoids this trade-off. The goal of this approach is to identify the simplest mechanisms and fewest variables capable of producing the phenomenon in question. A dynamical model in which change is produced by simple rules repetitively interacting with each other can exhibit unexpected and complex properties. It is thus possible to explain complex psychological and social phenomena with very simple models if these models are dynamic. In dynamical minimalist theories, then, the principle of parsimony can be followed without sacrificing depth in understanding. Computer simulations have proven especially useful for investigating the emergent properties of simple models.

Energy economy in the actomyosin interaction: lessons from simple models.

PubMed

Lehman, Steven L

2010-01-01

The energy economy of the actomyosin interaction in skeletal muscle is both scientifically fascinating and practically important. This chapter demonstrates how simple cross-bridge models have guided research regarding the energy economy of skeletal muscle. Parameter variation on a very simple two-state strain-dependent model shows that early events in the actomyosin interaction strongly influence energy efficiency, and late events determine maximum shortening velocity. Addition of a weakly-bound state preceding force production allows weak coupling of cross-bridge mechanics and ATP turnover, so that a simple three-state model can simulate the velocity-dependence of ATP turnover. Consideration of the limitations of this model leads to a review of recent evidence regarding the relationship between ligand binding states, conformational states, and macromolecular structures of myosin cross-bridges. Investigation of the fine structure of the actomyosin interaction during the working stroke continues to inform fundamental research regarding the energy economy of striated muscle.

FITPOP, a heuristic simulation model of population dynamics and genetics with special reference to fisheries

USGS Publications Warehouse

McKenna, James E.

2000-01-01

Although, perceiving genetic differences and their effects on fish population dynamics is difficult, simulation models offer a means to explore and illustrate these effects. I partitioned the intrinsic rate of increase parameter of a simple logistic-competition model into three components, allowing specification of effects of relative differences in fitness and mortality, as well as finite rate of increase. This model was placed into an interactive, stochastic environment to allow easy manipulation of model parameters (FITPOP). Simulation results illustrated the effects of subtle differences in genetic and population parameters on total population size, overall fitness, and sensitivity of the system to variability. Several consequences of mixing genetically distinct populations were illustrated. For example, behaviors such as depression of population size after initial introgression and extirpation of native stocks due to continuous stocking of genetically inferior fish were reproduced. It also was shown that carrying capacity relative to the amount of stocking had an important influence on population dynamics. Uncertainty associated with parameter estimates reduced confidence in model projections. The FITPOP model provided a simple tool to explore population dynamics, which may assist in formulating management strategies and identifying research needs.

Hand ultrasound: a high-fidelity simulation of lung sliding.

PubMed

Shokoohi, Hamid; Boniface, Keith

2012-09-01

Simulation training has been effectively used to integrate didactic knowledge and technical skills in emergency and critical care medicine. In this article, we introduce a novel model of simulating lung ultrasound and the features of lung sliding and pneumothorax by performing a hand ultrasound. The simulation model involves scanning the palmar aspect of the hand to create normal lung sliding in varying modes of scanning and to mimic ultrasound features of pneumothorax, including "stratosphere/barcode sign" and "lung point." The simple, reproducible, and readily available simulation model we describe demonstrates a high-fidelity simulation surrogate that can be used to rapidly illustrate the signs of normal and abnormal lung sliding at the bedside. © 2012 by the Society for Academic Emergency Medicine.

Piloted Evaluation of a UH-60 Mixer Equivalent Turbulence Simulation Model

NASA Technical Reports Server (NTRS)

Lusardi, Jeff A.; Blanken, Chris L.; Tischeler, Mark B.

2002-01-01

A simulation study of a recently developed hover/low speed Mixer Equivalent Turbulence Simulation (METS) model for the UH-60 Black Hawk helicopter was conducted in the NASA Ames Research Center Vertical Motion Simulator (VMS). The experiment was a continuation of previous work to develop a simple, but validated, turbulence model for hovering rotorcraft. To validate the METS model, two experienced test pilots replicated precision hover tasks that had been conducted in an instrumented UH-60 helicopter in turbulence. Objective simulation data were collected for comparison with flight test data, and subjective data were collected that included handling qualities ratings and pilot comments for increasing levels of turbulence. Analyses of the simulation results show good analytic agreement between the METS model and flight test data, with favorable pilot perception of the simulated turbulence. Precision hover tasks were also repeated using the more complex rotating-frame SORBET (Simulation Of Rotor Blade Element Turbulence) model to generate turbulence. Comparisons of the empirically derived METS model with the theoretical SORBET model show good agreement providing validation of the more complex blade element method of simulating turbulence.

How effective is advertising in duopoly markets?

NASA Astrophysics Data System (ADS)

Sznajd-Weron, K.; Weron, R.

2003-06-01

A simple Ising spin model which can describe the mechanism of advertising in a duopoly market is proposed. In contrast to other agent-based models, the influence does not flow inward from the surrounding neighbors to the center site, but spreads outward from the center to the neighbors. The model thus describes the spread of opinions among customers. It is shown via standard Monte Carlo simulations that very simple rules and inclusion of an external field-an advertising campaign-lead to phase transitions.

Deterministic diffusion in flower-shaped billiards.

PubMed

Harayama, Takahisa; Klages, Rainer; Gaspard, Pierre

2002-08-01

We propose a flower-shaped billiard in order to study the irregular parameter dependence of chaotic normal diffusion. Our model is an open system consisting of periodically distributed obstacles in the shape of a flower, and it is strongly chaotic for almost all parameter values. We compute the parameter dependent diffusion coefficient of this model from computer simulations and analyze its functional form using different schemes, all generalizing the simple random walk approximation of Machta and Zwanzig. The improved methods we use are based either on heuristic higher-order corrections to the simple random walk model, on lattice gas simulation methods, or they start from a suitable Green-Kubo formula for diffusion. We show that dynamical correlations, or memory effects, are of crucial importance in reproducing the precise parameter dependence of the diffusion coefficent.

Possibilities of rock constitutive modelling and simulations

NASA Astrophysics Data System (ADS)

Baranowski, Paweł; Małachowski, Jerzy

2018-01-01

The paper deals with a problem of rock finite element modelling and simulation. The main intention of authors was to present possibilities of different approaches in case of rock constitutive modelling. For this purpose granite rock was selected, due to its wide mechanical properties recognition and prevalence in literature. Two significantly different constitutive material models were implemented to simulate the granite fracture in various configurations: Johnson - Holmquist ceramic model which is very often used for predicting rock and other brittle materials behavior, and a simple linear elastic model with a brittle failure which can be used for simulating glass fracturing. Four cases with different loading conditions were chosen to compare the aforementioned constitutive models: uniaxial compression test, notched three-point-bending test, copper ball impacting a block test and small scale blasting test.

Parachute Models Used in the Mars Science Laboratory Entry, Descent, and Landing Simulation

NASA Technical Reports Server (NTRS)

Cruz, Juan R.; Way, David W.; Shidner, Jeremy D.; Davis, Jody L.; Powell, Richard W.; Kipp, Devin M.; Adams, Douglas S.; Witkowski, Al; Kandis, Mike

2013-01-01

An end-to-end simulation of the Mars Science Laboratory (MSL) entry, descent, and landing (EDL) sequence was created at the NASA Langley Research Center using the Program to Optimize Simulated Trajectories II (POST2). This simulation is capable of providing numerous MSL system and flight software responses, including Monte Carlo-derived statistics of these responses. The MSL POST2 simulation includes models of EDL system elements, including those related to the parachute system. Among these there are models for the parachute geometry, mass properties, deployment, inflation, opening force, area oscillations, aerodynamic coefficients, apparent mass, interaction with the main landing engines, and off-loading. These models were kept as simple as possible, considering the overall objectives of the simulation. The main purpose of this paper is to describe these parachute system models to the extent necessary to understand how they work and some of their limitations. A list of lessons learned during the development of the models and simulation is provided. Future improvements to the parachute system models are proposed.

Further Development of Verification Check-Cases for Six- Degree-of-Freedom Flight Vehicle Simulations

NASA Technical Reports Server (NTRS)

Jackson, E. Bruce; Madden, Michael M.; Shelton, Robert; Jackson, A. A.; Castro, Manuel P.; Noble, Deleena M.; Zimmerman, Curtis J.; Shidner, Jeremy D.; White, Joseph P.; Dutta, Doumyo;

Human dynamic orientation model applied to motion simulation. M.S. Thesis

NASA Technical Reports Server (NTRS)

Borah, J. D.

1976-01-01

The Ormsby model of dynamic orientation, in the form of a discrete time computer program was used to predict non-visually induced sensations during an idealized coordinated aircraft turn. To predict simulation fidelity, the Ormsby model was used to assign penalties for incorrect attitude and angular rate perceptions. It was determined that a three rotational degree of freedom simulation should remain faithful to attitude perception even at the expense of incorrect angular rate sensations. Implementing this strategy, a simulation profile for the idealized turn was designed for a Link GAT-1 trainer. A simple optokinetic display was added to improve the fidelity of roll rate sensations.

Circuit models and three-dimensional electromagnetic simulations of a 1-MA linear transformer driver stage

NASA Astrophysics Data System (ADS)

Rose, D. V.; Miller, C. L.; Welch, D. R.; Clark, R. E.; Madrid, E. A.; Mostrom, C. B.; Stygar, W. A.; Lechien, K. R.; Mazarakis, M. A.; Langston, W. L.; Porter, J. L.; Woodworth, J. R.

2010-09-01

A 3D fully electromagnetic (EM) model of the principal pulsed-power components of a high-current linear transformer driver (LTD) has been developed. LTD systems are a relatively new modular and compact pulsed-power technology based on high-energy density capacitors and low-inductance switches located within a linear-induction cavity. We model 1-MA, 100-kV, 100-ns rise-time LTD cavities [A. A. Kim , Phys. Rev. ST Accel. Beams 12, 050402 (2009)PRABFM1098-440210.1103/PhysRevSTAB.12.050402] which can be used to drive z-pinch and material dynamics experiments. The model simulates the generation and propagation of electromagnetic power from individual capacitors and triggered gas switches to a radially symmetric output line. Multiple cavities, combined to provide voltage addition, drive a water-filled coaxial transmission line. A 3D fully EM model of a single 1-MA 100-kV LTD cavity driving a simple resistive load is presented and compared to electrical measurements. A new model of the current loss through the ferromagnetic cores is developed for use both in circuit representations of an LTD cavity and in the 3D EM simulations. Good agreement between the measured core current, a simple circuit model, and the 3D simulation model is obtained. A 3D EM model of an idealized ten-cavity LTD accelerator is also developed. The model results demonstrate efficient voltage addition when driving a matched impedance load, in good agreement with an idealized circuit model.

Exploring global carbon turnover and radiocarbon cycling in terrestrial biosphere models

NASA Astrophysics Data System (ADS)

Graven, H. D.; Warren, H.

2017-12-01

The uptake of carbon into terrestrial ecosystems through net primary productivity (NPP) and the turnover of that carbon through various pathways are the fundamental drivers of changing carbon stocks on land, in addition to human-induced and natural disturbances. Terrestrial biosphere models use different formulations for carbon uptake and release, resulting in a range of values in NPP of 40-70 PgC/yr and biomass turnover times of about 25-40 years for the preindustrial period in current-generation models from CMIP5. Biases in carbon uptake and turnover impact simulated carbon uptake and storage in the historical period and later in the century under changing climate and CO2 concentration, however evaluating global-scale NPP and carbon turnover is challenging. Scaling up of plot-scale measurements involves uncertainty due to the large heterogeneity across ecosystems and biomass types, some of which are not well-observed. We are developing the modelling of radiocarbon in terrestrial biosphere models, with a particular focus on decadal 14C dynamics after the nuclear weapons testing in the 1950s-60s, including the impact of carbon flux trends and variability on 14C cycling. We use an estimate of the total inventory of excess 14C in the biosphere constructed by Naegler and Levin (2009) using a 14C budget approach incorporating estimates of total 14C produced by the weapons tests and atmospheric and oceanic 14C observations. By simulating radiocarbon in simple biosphere box models using carbon fluxes from the CMIP5 models, we find that carbon turnover is too rapid in many of the simple models - the models appear to take up too much 14C and release it too quickly. Therefore many CMIP5 models may also simulate carbon turnover that is too rapid. A caveat is that the simple box models we use may not adequately represent carbon dynamics in the full-scale models. Explicit simulation of radiocarbon in terrestrial biosphere models would allow more robust evaluation of biosphere models and the investigation of climate-carbon cycle feedbacks on various timescales. Explicit simulation of radiocarbon and carbon-13 in terrestrial biosphere models of Earth System Models, as well as in ocean models, is recommended by CMIP6 and supported by CMIP6 protocols and forcing datasets.

Three dimensional hair model by means particles using Blender

NASA Astrophysics Data System (ADS)

Alvarez-Cedillo, Jesús Antonio; Almanza-Nieto, Roberto; Herrera-Lozada, Juan Carlos

2010-09-01

The simulation and modeling of human hair is a process whose computational complexity is very large, this due to the large number of factors that must be calculated to give a realistic appearance. Generally, the method used in the film industry to simulate hair is based on particle handling graphics. In this paper we present a simple approximation of how to model human hair using particles in Blender. [Figure not available: see fulltext.

Mechanics of train collision

DOT National Transportation Integrated Search

1976-04-30

A simple and a more detailed mathematical model for the simulation of train collisions are presented. The study presents considerable insight as to the causes and consequences of train motions on impact. Comparison of model predictions with two full ...

A simple way to improve AGN feedback prescription in SPH simulations

NASA Astrophysics Data System (ADS)

Zubovas, Kastytis; Bourne, Martin A.; Nayakshin, Sergei

2016-03-01

Active galactic nuclei (AGN) feedback is an important ingredient in galaxy evolution, however its treatment in numerical simulations is necessarily approximate, requiring subgrid prescriptions due to the dynamical range involved in the calculations. We present a suite of smoothed particle hydrodynamics simulations designed to showcase the importance of the choice of a particular subgrid prescription for AGN feedback. We concentrate on two approaches to treating wide-angle AGN outflows: thermal feedback, where thermal and kinetic energy is injected into the gas surrounding the supermassive black hole (SMBH) particle, and virtual particle feedback, where energy is carried by tracer particles radially away from the AGN. We show that the latter model produces a far more complex structure around the SMBH, which we argue is a more physically correct outcome. We suggest a simple improvement to the thermal feedback model - injecting the energy into a cone, rather than spherically symmetrically - and show that this markedly improves the agreement between the two prescriptions, without requiring any noticeable increase in the computational cost of the simulation.

The biomechanics of an overarm throwing task: a simulation model examination of optimal timing of muscle activations.

PubMed

Chowdhary, A G; Challis, J H

2001-07-07

A series of overarm throws, constrained to the parasagittal plane, were simulated using a muscle model actuated two-segment model representing the forearm and hand plus projectile. The parameters defining the modeled muscles and the anthropometry of the two-segment models were specific to the two young male subjects. All simulations commenced from a position of full elbow flexion and full wrist extension. The study was designed to elucidate the optimal inter-muscular coordination strategies for throwing projectiles to achieve maximum range, as well as maximum projectile kinetic energy for a variety of projectile masses. A proximal to distal (PD) sequence of muscle activations was seen in many of the simulated throws but not all. Under certain conditions moment reversal produced a longer throw and greater projectile energy, and deactivation of the muscles resulted in increased projectile energy. Therefore, simple timing of muscle activation does not fully describe the patterns of muscle recruitment which can produce optimal throws. The models of the two subjects required different timings of muscle activations, and for some of the tasks used different coordination patterns. Optimal strategies were found to vary with the mass of the projectile, the anthropometry and the muscle characteristics of the subjects modeled. The tasks examined were relatively simple, but basic rules for coordinating these tasks were not evident. Copyright 2001 Academic Press.

Selected bibliography on the modeling and control of plant processes

NASA Technical Reports Server (NTRS)

Viswanathan, M. M.; Julich, P. M.

1972-01-01

A bibliography of information pertinent to the problem of simulating plants is presented. Detailed simulations of constituent pieces are necessary to justify simple models which may be used for analysis. Thus, this area of study is necessary to support the Earth Resources Program. The report sums up the present state of the problem of simulating vegetation. This area holds the hope of major benefits to mankind through understanding the ecology of a region and in improving agricultural yield.

ViSimpl: Multi-View Visual Analysis of Brain Simulation Data

PubMed Central

Galindo, Sergio E.; Toharia, Pablo; Robles, Oscar D.; Pastor, Luis

2016-01-01

After decades of independent morphological and functional brain research, a key point in neuroscience nowadays is to understand the combined relationships between the structure of the brain and its components and their dynamics on multiple scales, ranging from circuits of neurons at micro or mesoscale to brain regions at macroscale. With such a goal in mind, there is a vast amount of research focusing on modeling and simulating activity within neuronal structures, and these simulations generate large and complex datasets which have to be analyzed in order to gain the desired insight. In such context, this paper presents ViSimpl, which integrates a set of visualization and interaction tools that provide a semantic view of brain data with the aim of improving its analysis procedures. ViSimpl provides 3D particle-based rendering that allows visualizing simulation data with their associated spatial and temporal information, enhancing the knowledge extraction process. It also provides abstract representations of the time-varying magnitudes supporting different data aggregation and disaggregation operations and giving also focus and context clues. In addition, ViSimpl tools provide synchronized playback control of the simulation being analyzed. Finally, ViSimpl allows performing selection and filtering operations relying on an application called NeuroScheme. All these views are loosely coupled and can be used independently, but they can also work together as linked views, both in centralized and distributed computing environments, enhancing the data exploration and analysis procedures. PMID:27774062

ViSimpl: Multi-View Visual Analysis of Brain Simulation Data.

PubMed

Galindo, Sergio E; Toharia, Pablo; Robles, Oscar D; Pastor, Luis

2016-01-01

After decades of independent morphological and functional brain research, a key point in neuroscience nowadays is to understand the combined relationships between the structure of the brain and its components and their dynamics on multiple scales, ranging from circuits of neurons at micro or mesoscale to brain regions at macroscale. With such a goal in mind, there is a vast amount of research focusing on modeling and simulating activity within neuronal structures, and these simulations generate large and complex datasets which have to be analyzed in order to gain the desired insight. In such context, this paper presents ViSimpl, which integrates a set of visualization and interaction tools that provide a semantic view of brain data with the aim of improving its analysis procedures. ViSimpl provides 3D particle-based rendering that allows visualizing simulation data with their associated spatial and temporal information, enhancing the knowledge extraction process. It also provides abstract representations of the time-varying magnitudes supporting different data aggregation and disaggregation operations and giving also focus and context clues. In addition, ViSimpl tools provide synchronized playback control of the simulation being analyzed. Finally, ViSimpl allows performing selection and filtering operations relying on an application called NeuroScheme. All these views are loosely coupled and can be used independently, but they can also work together as linked views, both in centralized and distributed computing environments, enhancing the data exploration and analysis procedures.

Multiphase flow in geometrically simple fracture intersections

USGS Publications Warehouse

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

2006-01-01

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

Analytical determination of space station response to crew motion and design of suspension system for microgravity experiments

NASA Technical Reports Server (NTRS)

Liu, F. C.

1986-01-01

The objective of this investigation is to make analytical determination of the acceleration produced by crew motion in an orbiting space station and define design parameters for the suspension system of microgravity experiments. A simple structural model for simulation of the IOC space station is proposed. Mathematical formulation of this model provides the engineers a simple and direct tool for designing an effective suspension system.

Spectral Simulations and Abundance Determinations in the Interstellar Medium of Active Galaxies

NASA Astrophysics Data System (ADS)

Ferguson, Jason W.

The narrow emission line spectra of gas illuminated by the nuclear region of active galaxies cannot be described by models involving simple photoionization calculations. In this project we develop the numerical tools necessary to accurately simulate observed spectra from such regions. We begin by developing a compact model hydrogen atom, and show that a moderate number of atomic levels can reproduce the emission of much larger, definitive calculations. We discuss the excitation mechanism of the gas, that is, whether the emission we see is a result of either local shock excitation or direct photoionization by the central source. We show that photoionization plus continuum fluorescence can mimic excitation by shocks, and we suggest an observational test to distinguish between photoionization due to shocks and the central source. We extend to the narrow line region of active galaxies the 'locally optimally-emitting cloud' (LOC) model, wherein the observed spectra are predominantly determined by a simple, yet powerful selection effect. Namely, nature provides the emitting line region with clouds of a vast ensemble of properties, and we observe emission lines from those clouds that are most efficient at emitting them. We have calculated large grids of photoionization models of narrow line clouds for a wide range of gas density and distances from the ionizing source. We show that when coupled to a simple Keplerian velocity field, the LOC naturally reproduces the line width - critical density correlation observed in many narrow line objects. In addition, we calculate classical diagnostic line ratios and use simple LOC integrations over gas density to simulate the radial emission of the narrow lines and compare with observations. The effects of including dust in the simulations is discussed and we show that the more neutral gas is likely to be dusty, while the more highly ionized gas is dust-free. This implies a variety of cloud origins.

A simple model for strong ground motions and response spectra

USGS Publications Warehouse

Safak, Erdal; Mueller, Charles; Boatwright, John

1988-01-01

A simple model for the description of strong ground motions is introduced. The model shows that response spectra can be estimated by using only four parameters of the ground motion, the RMS acceleration, effective duration and two corner frequencies that characterize the effective frequency band of the motion. The model is windowed band-limited white noise, and is developed by studying the properties of two functions, cumulative squared acceleration in the time domain, and cumulative squared amplitude spectrum in the frequency domain. Applying the methods of random vibration theory, the model leads to a simple analytical expression for the response spectra. The accuracy of the model is checked by using the ground motion recordings from the aftershock sequences of two different earthquakes and simulated accelerograms. The results show that the model gives a satisfactory estimate of the response spectra.

A-Priori Tuning of Modified Magnussen Combustion Model

NASA Technical Reports Server (NTRS)

Norris, A. T.

2016-01-01

In the application of CFD to turbulent reacting flows, one of the main limitations to predictive accuracy is the chemistry model. Using a full or skeletal kinetics model may provide good predictive ability, however, at considerable computational cost. Adding the ability to account for the interaction between turbulence and chemistry improves the overall fidelity of a simulation but adds to this cost. An alternative is the use of simple models, such as the Magnussen model, which has negligible computational overhead, but lacks general predictive ability except for cases that can be tuned to the flow being solved. In this paper, a technique will be described that allows the tuning of the Magnussen model for an arbitrary fuel and flow geometry without the need to have experimental data for that particular case. The tuning is based on comparing the results of the Magnussen model and full finite-rate chemistry when applied to perfectly and partially stirred reactor simulations. In addition, a modification to the Magnussen model is proposed that allows the upper kinetic limit for the reaction rate to be set, giving better physical agreement with full kinetic mechanisms. This procedure allows a simple reacting model to be used in a predictive manner, and affords significant savings in computational costs for simulations.

Vector-based model of elastic bonds for simulation of granular solids.

PubMed

Kuzkin, Vitaly A; Asonov, Igor E

2012-11-01

A model (further referred to as the V model) for the simulation of granular solids, such as rocks, ceramics, concrete, nanocomposites, and agglomerates, composed of bonded particles (rigid bodies), is proposed. It is assumed that the bonds, usually representing some additional gluelike material connecting particles, cause both forces and torques acting on the particles. Vectors rigidly connected with the particles are used to describe the deformation of a single bond. The expression for potential energy of the bond and corresponding expressions for forces and torques are derived. Formulas connecting parameters of the model with longitudinal, shear, bending, and torsional stiffnesses of the bond are obtained. It is shown that the model makes it possible to describe any values of the bond stiffnesses exactly; that is, the model is applicable for the bonds with arbitrary length/thickness ratio. Two different calibration procedures depending on bond length/thickness ratio are proposed. It is shown that parameters of the model can be chosen so that under small deformations the bond is equivalent to either a Bernoulli-Euler beam or a Timoshenko beam or short cylinder connecting particles. Simple analytical expressions, relating parameters of the V model with geometrical and mechanical characteristics of the bond, are derived. Two simple examples of computer simulation of thin granular structures using the V model are given.

Influence of plasticity models upon the outcome of simulated hypervelocity impacts

NASA Astrophysics Data System (ADS)

Thomas, John N.

1994-07-01

This paper describes the results of numerical simulations of aluminum upon aluminum impacts which were performed with the CTH hydrocode to determine the effect plasticity formulations upon the final perforation size in the targets. The targets were 1 mm and 5 mm thick plates and the projectiles were 10 mm by 10 mm right circular cylinders. Both targets and projectiles were represented as 2024 aluminium alloy. The hydrocode simulations were run in a two-dimensional cylindrical geometry. Normal impacts at velocites between 5 and 15 km/s were simulated. Three isotropic yield stress models were explored in the simulations: an elastic-perfectly plastic model and the Johnson-Cook and Steinberg-Guinan-Lund viscoplastic models. The fracture behavior was modeled by a simple tensile pressure criterion. The simulations show that using the three strength models resulted in only minor differences in the final perforation diameter. The simulation results were used to construct an equation to predict the final hole size resulting from impacts on thin targets.

Differences in aquatic habitat quality as an impact of one- and two-dimensional hydrodynamic model simulated flow variables

NASA Astrophysics Data System (ADS)

Benjankar, R. M.; Sohrabi, M.; Tonina, D.; McKean, J. A.

2013-12-01

Aquatic habitat models utilize flow variables which may be predicted with one-dimensional (1D) or two-dimensional (2D) hydrodynamic models to simulate aquatic habitat quality. Studies focusing on the effects of hydrodynamic model dimensionality on predicted aquatic habitat quality are limited. Here we present the analysis of the impact of flow variables predicted with 1D and 2D hydrodynamic models on simulated spatial distribution of habitat quality and Weighted Usable Area (WUA) for fall-spawning Chinook salmon. Our study focuses on three river systems located in central Idaho (USA), which are a straight and pool-riffle reach (South Fork Boise River), small pool-riffle sinuous streams in a large meadow (Bear Valley Creek) and a steep-confined plane-bed stream with occasional deep forced pools (Deadwood River). We consider low and high flows in simple and complex morphologic reaches. Results show that 1D and 2D modeling approaches have effects on both the spatial distribution of the habitat and WUA for both discharge scenarios, but we did not find noticeable differences between complex and simple reaches. In general, the differences in WUA were small, but depended on stream type. Nevertheless, spatially distributed habitat quality difference is considerable in all streams. The steep-confined plane bed stream had larger differences between aquatic habitat quality defined with 1D and 2D flow models compared to results for streams with well defined macro-topographies, such as pool-riffle bed forms. KEY WORDS: one- and two-dimensional hydrodynamic models, habitat modeling, weighted usable area (WUA), hydraulic habitat suitability, high and low discharges, simple and complex reaches

Effects of translational and rotational degrees of freedom on properties of the Mercedes–Benz water model

PubMed Central

Urbic, T.; Mohoric, T.

2017-01-01

Non–equilibrium Monte Carlo and molecular dynamics simulations are used to study the effect of translational and rotational degrees of freedom on the structural and thermodynamic properties of the simple Mercedes–Benz water model. We establish a non–equilibrium steady state where rotational and translational temperatures can be tuned. We separately show that Monte Carlo simulations can be used to study non-equilibrium properties if sampling is performed correctly. By holding one of the temperatures constant and varying the other one, we investigate the effect of faster motion in the corresponding degrees of freedom on the properties of the simple water model. In particular, the situation where the rotational temperature exceeded the translational one is mimicking the effects of microwaves on the water model. A decrease of rotational temperature leads to the higher structural order while an increase causes the structure to be more Lennard–Jones fluid like.

Effects of translational and rotational degrees of freedom on properties of the Mercedes-Benz water model

NASA Astrophysics Data System (ADS)

Urbic, T.; Mohoric, T.

2017-03-01

Non-equilibrium Monte Carlo and molecular dynamics simulations are used to study the effect of translational and rotational degrees of freedom on the structural and thermodynamic properties of the simple Mercedes-Benz water model. We establish a non-equilibrium steady state where rotational and translational temperatures can be tuned. We separately show that Monte Carlo simulations can be used to study non-equilibrium properties if sampling is performed correctly. By holding one of the temperatures constant and varying the other one, we investigate the effect of faster motion in the corresponding degrees of freedom on the properties of the simple water model. In particular, the situation where the rotational temperature exceeded the translational one is mimicking the effects of microwaves on the water model. A decrease of rotational temperature leads to the higher structural order while an increase causes the structure to be more Lennard-Jones fluid like.

Simulation Models for Socioeconomic Inequalities in Health: A Systematic Review

PubMed Central

Speybroeck, Niko; Van Malderen, Carine; Harper, Sam; Müller, Birgit; Devleesschauwer, Brecht

2013-01-01

Background: The emergence and evolution of socioeconomic inequalities in health involves multiple factors interacting with each other at different levels. Simulation models are suitable for studying such complex and dynamic systems and have the ability to test the impact of policy interventions in silico. Objective: To explore how simulation models were used in the field of socioeconomic inequalities in health. Methods: An electronic search of studies assessing socioeconomic inequalities in health using a simulation model was conducted. Characteristics of the simulation models were extracted and distinct simulation approaches were identified. As an illustration, a simple agent-based model of the emergence of socioeconomic differences in alcohol abuse was developed. Results: We found 61 studies published between 1989 and 2013. Ten different simulation approaches were identified. The agent-based model illustration showed that multilevel, reciprocal and indirect effects of social determinants on health can be modeled flexibly. Discussion and Conclusions: Based on the review, we discuss the utility of using simulation models for studying health inequalities, and refer to good modeling practices for developing such models. The review and the simulation model example suggest that the use of simulation models may enhance the understanding and debate about existing and new socioeconomic inequalities of health frameworks. PMID:24192788

A simple and efficient quasi 3-dimensional viscoelastic model and software for simulation of tapping-mode atomic force microscopy

DOE PAGES

Solares, Santiago D.

2015-11-26

This study introduces a quasi-3-dimensional (Q3D) viscoelastic model and software tool for use in atomic force microscopy (AFM) simulations. The model is based on a 2-dimensional array of standard linear solid (SLS) model elements. The well-known 1-dimensional SLS model is a textbook example in viscoelastic theory but is relatively new in AFM simulation. It is the simplest model that offers a qualitatively correct description of the most fundamental viscoelastic behaviors, namely stress relaxation and creep. However, this simple model does not reflect the correct curvature in the repulsive portion of the force curve, so its application in the quantitative interpretationmore » of AFM experiments is relatively limited. In the proposed Q3D model the use of an array of SLS elements leads to force curves that have the typical upward curvature in the repulsive region, while still offering a very low computational cost. Furthermore, the use of a multidimensional model allows for the study of AFM tips having non-ideal geometries, which can be extremely useful in practice. Examples of typical force curves are provided for single- and multifrequency tappingmode imaging, for both of which the force curves exhibit the expected features. Lastly, a software tool to simulate amplitude and phase spectroscopy curves is provided, which can be easily modified to implement other controls schemes in order to aid in the interpretation of AFM experiments.« less

A simple and efficient quasi 3-dimensional viscoelastic model and software for simulation of tapping-mode atomic force microscopy.

PubMed

Solares, Santiago D

2015-01-01

This paper introduces a quasi-3-dimensional (Q3D) viscoelastic model and software tool for use in atomic force microscopy (AFM) simulations. The model is based on a 2-dimensional array of standard linear solid (SLS) model elements. The well-known 1-dimensional SLS model is a textbook example in viscoelastic theory but is relatively new in AFM simulation. It is the simplest model that offers a qualitatively correct description of the most fundamental viscoelastic behaviors, namely stress relaxation and creep. However, this simple model does not reflect the correct curvature in the repulsive portion of the force curve, so its application in the quantitative interpretation of AFM experiments is relatively limited. In the proposed Q3D model the use of an array of SLS elements leads to force curves that have the typical upward curvature in the repulsive region, while still offering a very low computational cost. Furthermore, the use of a multidimensional model allows for the study of AFM tips having non-ideal geometries, which can be extremely useful in practice. Examples of typical force curves are provided for single- and multifrequency tapping-mode imaging, for both of which the force curves exhibit the expected features. Finally, a software tool to simulate amplitude and phase spectroscopy curves is provided, which can be easily modified to implement other controls schemes in order to aid in the interpretation of AFM experiments.

On the deterministic and stochastic use of hydrologic models

USGS Publications Warehouse

Farmer, William H.; Vogel, Richard M.

2016-01-01

Environmental simulation models, such as precipitation-runoff watershed models, are increasingly used in a deterministic manner for environmental and water resources design, planning, and management. In operational hydrology, simulated responses are now routinely used to plan, design, and manage a very wide class of water resource systems. However, all such models are calibrated to existing data sets and retain some residual error. This residual, typically unknown in practice, is often ignored, implicitly trusting simulated responses as if they are deterministic quantities. In general, ignoring the residuals will result in simulated responses with distributional properties that do not mimic those of the observed responses. This discrepancy has major implications for the operational use of environmental simulation models as is shown here. Both a simple linear model and a distributed-parameter precipitation-runoff model are used to document the expected bias in the distributional properties of simulated responses when the residuals are ignored. The systematic reintroduction of residuals into simulated responses in a manner that produces stochastic output is shown to improve the distributional properties of the simulated responses. Every effort should be made to understand the distributional behavior of simulation residuals and to use environmental simulation models in a stochastic manner.

An underwater light attenuation scheme for marine ecosystem models.

PubMed

Penta, Bradley; Lee, Zhongping; Kudela, Raphael M; Palacios, Sherry L; Gray, Deric J; Jolliff, Jason K; Shulman, Igor G

2008-10-13

Simulation of underwater light is essential for modeling marine ecosystems. A new model of underwater light attenuation is presented and compared with previous models. In situ data collected in Monterey Bay, CA. during September 2006 are used for validation. It is demonstrated that while the new light model is computationally simple and efficient it maintains accuracy and flexibility. When this light model is incorporated into an ecosystem model, the correlation between modeled and observed coastal chlorophyll is improved over an eight-year time period. While the simulation of a deep chlorophyll maximum demonstrates the effect of the new model at depth.

Simulations of Quantum Dot Growth on Semiconductor Surfaces: Morphological Design of Sensor Concepts

DTIC Science & Technology

2008-12-01

size equalization can be clearly illustrated during the growth process. In this work we develop a fast multiscale 3D kinetic Monte Carlo ( KMC ) QD...model will provide an attractive means for producing predictably ordered nanostructures. MODEL DESCRIPTION The 3D layer-by-layer KMC growth model...Voter, 2001) and KMC simulation experience (Pan et al., 2004; Pan et al., 2006; Meixner et al, 2003) in 2D, we therefore propose the following simple

Identification and simulation evaluation of an AH-64 helicopter hover math model

NASA Technical Reports Server (NTRS)

Schroeder, J. A.; Watson, D. C.; Tischler, M. B.; Eshow, M. M.

1991-01-01

Frequency-domain parameter-identification techniques were used to develop a hover mathematical model of the AH-64 Apache helicopter from flight data. The unstable AH-64 bare-airframe characteristics without a stability-augmentation system were parameterized in the convectional stability-derivative form. To improve the model's vertical response, a simple transfer-function model approximating the effects of dynamic inflow was developed. Additional subcomponents of the vehicle were also modeled and simulated, such as a basic engine response for hover and the vehicle stick dynamic characteristics. The model, with and without stability augmentation, was then evaluated by AH-64 pilots in a moving-base simulation. It was the opinion of the pilots that the simulation was a satisfactory representation of the aircraft for the tasks of interest. The principal negative comment was that height control was more difficult in the simulation than in the aircraft.

A molecule-centered method for accelerating the calculation of hydrodynamic interactions in Brownian dynamics simulations containing many flexible biomolecules

PubMed Central

Elcock, Adrian H.

2013-01-01

Inclusion of hydrodynamic interactions (HIs) is essential in simulations of biological macromolecules that treat the solvent implicitly if the macromolecules are to exhibit correct translational and rotational diffusion. The present work describes the development and testing of a simple approach aimed at allowing more rapid computation of HIs in coarse-grained Brownian dynamics simulations of systems that contain large numbers of flexible macromolecules. The method combines a complete treatment of intramolecular HIs with an approximate treatment of the intermolecular HIs which assumes that the molecules are effectively spherical; all of the HIs are calculated at the Rotne-Prager-Yamakawa level of theory. When combined with Fixman’s Chebyshev polynomial method for calculating correlated random displacements, the proposed method provides an approach that is simple to program but sufficiently fast that it makes it computationally viable to include HIs in large-scale simulations. Test calculations performed on very coarse-grained models of the pyruvate dehydrogenase (PDH) E2 complex and on oligomers of ParM (ranging in size from 1 to 20 monomers) indicate that the method reproduces the translational diffusion behavior seen in more complete HI simulations surprisingly well; the method performs less well at capturing rotational diffusion but its discrepancies diminish with increasing size of the simulated assembly. Simulations of residue-level models of two tetrameric protein models demonstrate that the method also works well when more structurally detailed models are used in the simulations. Finally, test simulations of systems containing up to 1024 coarse-grained PDH molecules indicate that the proposed method rapidly becomes more efficient than the conventional BD approach in which correlated random displacements are obtained via a Cholesky decomposition of the complete diffusion tensor. PMID:23914146

A method for three-dimensional modeling of wind-shear environments for flight simulator applications

NASA Technical Reports Server (NTRS)

Bray, R. S.

1984-01-01

A computational method for modeling severe wind shears of the type that have been documented during severe convective atmospheric conditions is offered for use in research and training flight simulation. The procedure was developed with the objectives of operational flexibility and minimum computer load. From one to five, simple down burst wind models can be configured and located to produce the wind field desired for specific simulated flight scenarios. A definition of related turbulence parameters is offered as an additional product of the computations. The use of the method to model several documented examples of severe wind shear is demonstrated.

Topographic filtering simulation model for sediment source apportionment

NASA Astrophysics Data System (ADS)

Cho, Se Jong; Wilcock, Peter; Hobbs, Benjamin

2018-05-01

We propose a Topographic Filtering simulation model (Topofilter) that can be used to identify those locations that are likely to contribute most of the sediment load delivered from a watershed. The reduced complexity model links spatially distributed estimates of annual soil erosion, high-resolution topography, and observed sediment loading to determine the distribution of sediment delivery ratio across a watershed. The model uses two simple two-parameter topographic transfer functions based on the distance and change in elevation from upland sources to the nearest stream channel and then down the stream network. The approach does not attempt to find a single best-calibrated solution of sediment delivery, but uses a model conditioning approach to develop a large number of possible solutions. For each model run, locations that contribute to 90% of the sediment loading are identified and those locations that appear in this set in most of the 10,000 model runs are identified as the sources that are most likely to contribute to most of the sediment delivered to the watershed outlet. Because the underlying model is quite simple and strongly anchored by reliable information on soil erosion, topography, and sediment load, we believe that the ensemble of simulation outputs provides a useful basis for identifying the dominant sediment sources in the watershed.

Simple cellular automaton model for traffic breakdown, highway capacity, and synchronized flow.

PubMed

Kerner, Boris S; Klenov, Sergey L; Schreckenberg, Michael

2011-10-01

We present a simple cellular automaton (CA) model for two-lane roads explaining the physics of traffic breakdown, highway capacity, and synchronized flow. The model consists of the rules "acceleration," "deceleration," "randomization," and "motion" of the Nagel-Schreckenberg CA model as well as "overacceleration through lane changing to the faster lane," "comparison of vehicle gap with the synchronization gap," and "speed adaptation within the synchronization gap" of Kerner's three-phase traffic theory. We show that these few rules of the CA model can appropriately simulate fundamental empirical features of traffic breakdown and highway capacity found in traffic data measured over years in different countries, like characteristics of synchronized flow, the existence of the spontaneous and induced breakdowns at the same bottleneck, and associated probabilistic features of traffic breakdown and highway capacity. Single-vehicle data derived in model simulations show that synchronized flow first occurs and then self-maintains due to a spatiotemporal competition between speed adaptation to a slower speed of the preceding vehicle and passing of this slower vehicle. We find that the application of simple dependences of randomization probability and synchronization gap on driving situation allows us to explain the physics of moving synchronized flow patterns and the pinch effect in synchronized flow as observed in real traffic data.

How exactly can computer simulation predict the kinematics and contact status after TKA? Examination in individualized models.

PubMed

Tanaka, Yoshihisa; Nakamura, Shinichiro; Kuriyama, Shinichi; Ito, Hiromu; Furu, Moritoshi; Komistek, Richard D; Matsuda, Shuichi

2016-11-01

It is unknown whether a computer simulation with simple models can estimate individual in vivo knee kinematics, although some complex models have predicted the knee kinematics. The purposes of this study are first, to validate the accuracy of the computer simulation with our developed model during a squatting activity in a weight-bearing deep knee bend and then, to analyze the contact area and the contact stress of the tri-condylar implants for individual patients. We compared the anteroposterior (AP) contact positions of medial and lateral condyles calculated by the computer simulation program with the positions measured from the fluoroscopic analysis for three implanted knees. Then the contact area and the stress including the third condyle were calculated individually using finite element (FE) analysis. The motion patterns were similar in the simulation program and the fluoroscopic surveillance. Our developed model could nearly estimate the individual in vivo knee kinematics. The mean and maximum differences of the AP contact positions were 1.0mm and 2.5mm, respectively. At 120° of knee flexion, the contact area at the third condyle was wider than the both condyles. The mean maximum contact stress at the third condyle was lower than the both condyles at 90° and 120° of knee flexion. Individual bone models are required to estimate in vivo knee kinematics in our simple model. The tri-condylar implant seems to be safe for deep flexion activities due to the wide contact area and low contact stress. Copyright © 2016 Elsevier Ltd. All rights reserved.

Simple model of hydrophobic hydration.

PubMed

Lukšič, Miha; Urbic, Tomaz; Hribar-Lee, Barbara; Dill, Ken A

2012-05-31

Water is an unusual liquid in its solvation properties. Here, we model the process of transferring a nonpolar solute into water. Our goal was to capture the physical balance between water's hydrogen bonding and van der Waals interactions in a model that is simple enough to be nearly analytical and not heavily computational. We develop a 2-dimensional Mercedes-Benz-like model of water with which we compute the free energy, enthalpy, entropy, and the heat capacity of transfer as a function of temperature, pressure, and solute size. As validation, we find that this model gives the same trends as Monte Carlo simulations of the underlying 2D model and gives qualitative agreement with experiments. The advantages of this model are that it gives simple insights and that computational time is negligible. It may provide a useful starting point for developing more efficient and more realistic 3D models of aqueous solvation.

Using Lotus 1-2-3 for "Non-Stop" Graphic Simulation.

ERIC Educational Resources Information Center

Godin, Victor B.; Rao, Ashok

1988-01-01

Discusses the use of Lotus 1-2-3 to create non-stop graphic displays of simulation models. Describes a simple application of this technique using the distribution resulting from repeated throws of dice. Lists other software used with this technique. Stresses the advantages of this approach in education. (CW)

A Classroom Simulation of Water-Rock Interaction for Upper-Level Geochemistry Courses.

ERIC Educational Resources Information Center

Cercone, Karen Rose

1988-01-01

Describes a simple hands-on model of water-rock interaction that can be constructed in the classroom using styrofoam bowls and foil-wrapped candies. This interactive simulation allows students to vary the factors which control water-rock interaction and to obtain immediate results. (Author/CW)

Assessment of Simple Models for Molecular Simulation of Ethylene Carbonate and Propylene Carbonate as Solvents for Electrolyte Solutions.

PubMed

Chaudhari, Mangesh I; Muralidharan, Ajay; Pratt, Lawrence R; Rempe, Susan B

2018-02-12

Progress in understanding liquid ethylene carbonate (EC) and propylene carbonate (PC) on the basis of molecular simulation, emphasizing simple models of interatomic forces, is reviewed. Results on the bulk liquids are examined from the perspective of anticipated applications to materials for electrical energy storage devices. Preliminary results on electrochemical double-layer capacitors based on carbon nanotube forests and on model solid-electrolyte interphase (SEI) layers of lithium ion batteries are considered as examples. The basic results discussed suggest that an empirically parameterized, non-polarizable force field can reproduce experimental structural, thermodynamic, and dielectric properties of EC and PC liquids with acceptable accuracy. More sophisticated force fields might include molecular polarizability and Buckingham-model description of inter-atomic overlap repulsions as extensions to Lennard-Jones models of van der Waals interactions. Simple approaches should be similarly successful also for applications to organic molecular ions in EC/PC solutions, but the important case of Li[Formula: see text] deserves special attention because of the particularly strong interactions of that small ion with neighboring solvent molecules. To treat the Li[Formula: see text] ions in liquid EC/PC solutions, we identify interaction models defined by empirically scaled partial charges for ion-solvent interactions. The empirical adjustments use more basic inputs, electronic structure calculations and ab initio molecular dynamics simulations, and also experimental results on Li[Formula: see text] thermodynamics and transport in EC/PC solutions. Application of such models to the mechanism of Li[Formula: see text] transport in glassy SEI models emphasizes the advantage of long time-scale molecular dynamics studies of these non-equilibrium materials.

L3.PHI.CTF.P10.02-rev2 Coupling of Subchannel T/H (CTF) and CRUD Chemistry (MAMBA1D)

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

Salko, Robert K.; Palmtag, Scott; Collins, Benjamin S.

2015-05-15

The purpose of this milestone is to create a preliminary capability for modeling light water reactor (LWR) thermal-hydraulic (T/H) and CRUD growth using the CTF subchannel code and the subgrid version of the MAMBA CRUD chemistry code, MAMBA1D. In part, this is a follow-on to Milestone L3.PHI.VCS.P9.01, which is documented in Report CASL-U-2014-0188-000, titled "Development of CTF Capability for Modeling Reactor Operating Cycles with Crud Growth". As the title suggests, the previous milestone set up a framework for modeling reactor operation cycles with CTF. The framework also facilitated coupling to a CRUD chemistry capability for modeling CRUD growth throughout themore » reactor operating cycle. To demonstrate the capability, a simple CRUD \\surrogate" tool was developed and coupled to CTF; however, it was noted that CRUD growth predictions by the surrogate were not considered realistic. This milestone builds on L3.PHI.VCS.P9.01 by replacing this simple surrogate tool with the more advanced MAMBA1D CRUD chemistry code. Completing this task involves addressing unresolved tasks from Milestone L3.PHI.VCS.P9.01, setting up an interface to MAMBA1D, and extracting new T/H information from CTF that was not previously required in the simple surrogate tool. Speci c challenges encountered during this milestone include (1) treatment of the CRUD erosion model, which requires local turbulent kinetic energy (TKE) (a value that CTF does not calculate) and (2) treatment of the MAMBA1D CRUD chimney boiling model in the CTF rod heat transfer solution. To demonstrate this new T/H, CRUD modeling capability, two sets of simulations were performed: (1) an 18 month cycle simulation of a quarter symmetry model of Watts Bar and (2) a simulation of Assemblies G69 and G70 from Seabrook Cycle 5. The Watts Bar simulation is merely a demonstration of the capability. The simulation of the Seabrook cycle, which had experienced CRUD-related fuel rod failures, had actual CRUD-scrape data to compare with results. As results show, the initial CTF/MAMBA1D-predicted CRUD thicknesses were about half of their expected values, so further investigation will be required for this simulation.« less

Foxes and Rabbits - and a Spreadsheet.

ERIC Educational Resources Information Center

Carson, S. R.

1996-01-01

Presents a numerical simulation of a simple food chain together with a set of mathematical rules generalizing the model to a food web of any complexity. Discusses some of the model's interesting features and its use by students. (Author/JRH)

Global Aerodynamic Modeling for Stall/Upset Recovery Training Using Efficient Piloted Flight Test Techniques

NASA Technical Reports Server (NTRS)

Morelli, Eugene A.; Cunningham, Kevin; Hill, Melissa A.

2013-01-01

Flight test and modeling techniques were developed for efficiently identifying global aerodynamic models that can be used to accurately simulate stall, upset, and recovery on large transport airplanes. The techniques were developed and validated in a high-fidelity fixed-base flight simulator using a wind-tunnel aerodynamic database, realistic sensor characteristics, and a realistic flight deck representative of a large transport aircraft. Results demonstrated that aerodynamic models for stall, upset, and recovery can be identified rapidly and accurately using relatively simple piloted flight test maneuvers. Stall maneuver predictions and comparisons of identified aerodynamic models with data from the underlying simulation aerodynamic database were used to validate the techniques.

A Study of Airline Passenger Susceptibility to Atmospheric Turbulence Hazard

NASA Technical Reports Server (NTRS)

Stewart, Eric C.

2000-01-01

A simple, generic, simulation math model of a commercial airliner has been developed to study the susceptibility of unrestrained passengers to large, discrete gust encounters. The math model simulates the longitudinal motion to vertical gusts and includes (1) motion of an unrestrained passenger in the rear cabin, (2) fuselage flexibility, (3) the lag in the downwash from the wing to the tail, and (4) unsteady lift effects. Airplane and passenger response contours are calculated for a matrix of gust amplitudes and gust lengths of a simulated mountain rotor. A comparison of the model-predicted responses to data from three accidents indicates that the accelerations in actual accidents are sometimes much larger than the simulated gust encounters.

Comparing and combining process-based crop models and statistical models with some implications for climate change

NASA Astrophysics Data System (ADS)

Roberts, Michael J.; Braun, Noah O.; Sinclair, Thomas R.; Lobell, David B.; Schlenker, Wolfram

2017-09-01

We compare predictions of a simple process-based crop model (Soltani and Sinclair 2012), a simple statistical model (Schlenker and Roberts 2009), and a combination of both models to actual maize yields on a large, representative sample of farmer-managed fields in the Corn Belt region of the United States. After statistical post-model calibration, the process model (Simple Simulation Model, or SSM) predicts actual outcomes slightly better than the statistical model, but the combined model performs significantly better than either model. The SSM, statistical model and combined model all show similar relationships with precipitation, while the SSM better accounts for temporal patterns of precipitation, vapor pressure deficit and solar radiation. The statistical and combined models show a more negative impact associated with extreme heat for which the process model does not account. Due to the extreme heat effect, predicted impacts under uniform climate change scenarios are considerably more severe for the statistical and combined models than for the process-based model.

Simulations of Technology-Induced and Crisis-Led Stochastic and Chaotic Fluctuations in Higher Education Processes: A Model and a Case Study for Performance and Expected Employment

ERIC Educational Resources Information Center

Ahmet, Kara

2015-01-01

This paper presents a simple model of the provision of higher educational services that considers and exemplifies nonlinear, stochastic, and potentially chaotic processes. I use the methods of system dynamics to simulate these processes in the context of a particular sociologically interesting case, namely that of the Turkish higher education…

Application of numerical simulation on optimum design of two-dimensional sedimentation tanks in the wastewater treatment plant.

PubMed

Zeng, Guang-Ming; Zhang, Shuo-Fu; Qin, Xiao-Sheng; Huang, Guo-He; Li, Jian-Bing

2003-05-01

The paper establishes the relationship between the settling efficiency and the sizes of the sedimentation tank through the process of numerical simulation, which is taken as one of the constraints to set up a simple optimum designing model of sedimentation tank. The feasibility and advantages of this model based on numerical calculation are verified through the application of practical case.

Modeling the frequency-dependent detective quantum efficiency of photon-counting x-ray detectors.

PubMed

Stierstorfer, Karl

2018-01-01

To find a simple model for the frequency-dependent detective quantum efficiency (DQE) of photon-counting detectors in the low flux limit. Formula for the spatial cross-talk, the noise power spectrum and the DQE of a photon-counting detector working at a given threshold are derived. Parameters are probabilities for types of events like single counts in the central pixel, double counts in the central pixel and a neighboring pixel or single count in a neighboring pixel only. These probabilities can be derived in a simple model by extensive use of Monte Carlo techniques: The Monte Carlo x-ray propagation program MOCASSIM is used to simulate the energy deposition from the x-rays in the detector material. A simple charge cloud model using Gaussian clouds of fixed width is used for the propagation of the electric charge generated by the primary interactions. Both stages are combined in a Monte Carlo simulation randomizing the location of impact which finally produces the required probabilities. The parameters of the charge cloud model are fitted to the spectral response to a polychromatic spectrum measured with our prototype detector. Based on the Monte Carlo model, the DQE of photon-counting detectors as a function of spatial frequency is calculated for various pixel sizes, photon energies, and thresholds. The frequency-dependent DQE of a photon-counting detector in the low flux limit can be described with an equation containing only a small set of probabilities as input. Estimates for the probabilities can be derived from a simple model of the detector physics. © 2017 American Association of Physicists in Medicine.

A Simple Device for Measuring Static Compliance of Lung-Thorax Combine

ERIC Educational Resources Information Center

Sircar, Sabyasachi

2015-01-01

Explaining the concept of lung compliance remains a challenge to the physiology teacher because it cannot be demonstrated easily in human subjects and all attempts until now have used only simulation models. A simple device is described in the present article to measure the compliance of the "lung-thorax" combine in human subjects with…

A reappraisal of drug release laws using Monte Carlo simulations: the prevalence of the Weibull function.

PubMed

Kosmidis, Kosmas; Argyrakis, Panos; Macheras, Panos

2003-07-01

To verify the Higuchi law and study the drug release from cylindrical and spherical matrices by means of Monte Carlo computer simulation. A one-dimensional matrix, based on the theoretical assumptions of the derivation of the Higuchi law, was simulated and its time evolution was monitored. Cylindrical and spherical three-dimensional lattices were simulated with sites at the boundary of the lattice having been denoted as leak sites. Particles were allowed to move inside it using the random walk model. Excluded volume interactions between the particles was assumed. We have monitored the system time evolution for different lattice sizes and different initial particle concentrations. The Higuchi law was verified using the Monte Carlo technique in a one-dimensional lattice. It was found that Fickian drug release from cylindrical matrices can be approximated nicely with the Weibull function. A simple linear relation between the Weibull function parameters and the specific surface of the system was found. Drug release from a matrix, as a result of a diffusion process assuming excluded volume interactions between the drug molecules, can be described using a Weibull function. This model, although approximate and semiempirical, has the benefit of providing a simple physical connection between the model parameters and the system geometry, which was something missing from other semiempirical models.

Understanding quantum tunneling using diffusion Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Inack, E. M.; Giudici, G.; Parolini, T.; Santoro, G.; Pilati, S.

2018-03-01

In simple ferromagnetic quantum Ising models characterized by an effective double-well energy landscape the characteristic tunneling time of path-integral Monte Carlo (PIMC) simulations has been shown to scale as the incoherent quantum-tunneling time, i.e., as 1 /Δ2 , where Δ is the tunneling gap. Since incoherent quantum tunneling is employed by quantum annealers (QAs) to solve optimization problems, this result suggests that there is no quantum advantage in using QAs with respect to quantum Monte Carlo (QMC) simulations. A counterexample is the recently introduced shamrock model (Andriyash and Amin, arXiv:1703.09277), where topological obstructions cause an exponential slowdown of the PIMC tunneling dynamics with respect to incoherent quantum tunneling, leaving open the possibility for potential quantum speedup, even for stoquastic models. In this work we investigate the tunneling time of projective QMC simulations based on the diffusion Monte Carlo (DMC) algorithm without guiding functions, showing that it scales as 1 /Δ , i.e., even more favorably than the incoherent quantum-tunneling time, both in a simple ferromagnetic system and in the more challenging shamrock model. However, a careful comparison between the DMC ground-state energies and the exact solution available for the transverse-field Ising chain indicates an exponential scaling of the computational cost required to keep a fixed relative error as the system size increases.

A methodology for the assessment of manned flight simulator fidelity

NASA Technical Reports Server (NTRS)

Hess, Ronald A.; Malsbury, Terry N.

1989-01-01

A relatively simple analytical methodology for assessing the fidelity of manned flight simulators for specific vehicles and tasks is offered. The methodology is based upon an application of a structural model of the human pilot, including motion cue effects. In particular, predicted pilot/vehicle dynamic characteristics are obtained with and without simulator limitations. A procedure for selecting model parameters can be implemented, given a probable pilot control strategy. In analyzing a pair of piloting tasks for which flight and simulation data are available, the methodology correctly predicted the existence of simulator fidelity problems. The methodology permitted the analytical evaluation of a change in simulator characteristics and indicated that a major source of the fidelity problems was a visual time delay in the simulation.

A simple model for indentation creep

NASA Astrophysics Data System (ADS)

Ginder, Ryan S.; Nix, William D.; Pharr, George M.

2018-03-01

A simple model for indentation creep is developed that allows one to directly convert creep parameters measured in indentation tests to those observed in uniaxial tests through simple closed-form relationships. The model is based on the expansion of a spherical cavity in a power law creeping material modified to account for indentation loading in a manner similar to that developed by Johnson for elastic-plastic indentation (Johnson, 1970). Although only approximate in nature, the simple mathematical form of the new model makes it useful for general estimation purposes or in the development of other deformation models in which a simple closed-form expression for the indentation creep rate is desirable. Comparison to a more rigorous analysis which uses finite element simulation for numerical evaluation shows that the new model predicts uniaxial creep rates within a factor of 2.5, and usually much better than this, for materials creeping with stress exponents in the range 1 ≤ n ≤ 7. The predictive capabilities of the model are evaluated by comparing it to the more rigorous analysis and several sets of experimental data in which both the indentation and uniaxial creep behavior have been measured independently.

Dynamic PET simulator via tomographic emission projection for kinetic modeling and parametric image studies.

PubMed

Häggström, Ida; Beattie, Bradley J; Schmidtlein, C Ross

2016-06-01

To develop and evaluate a fast and simple tool called dpetstep (Dynamic PET Simulator of Tracers via Emission Projection), for dynamic PET simulations as an alternative to Monte Carlo (MC), useful for educational purposes and evaluation of the effects of the clinical environment, postprocessing choices, etc., on dynamic and parametric images. The tool was developed in matlab using both new and previously reported modules of petstep (PET Simulator of Tracers via Emission Projection). Time activity curves are generated for each voxel of the input parametric image, whereby effects of imaging system blurring, counting noise, scatters, randoms, and attenuation are simulated for each frame. Each frame is then reconstructed into images according to the user specified method, settings, and corrections. Reconstructed images were compared to MC data, and simple Gaussian noised time activity curves (GAUSS). dpetstep was 8000 times faster than MC. Dynamic images from dpetstep had a root mean square error that was within 4% on average of that of MC images, whereas the GAUSS images were within 11%. The average bias in dpetstep and MC images was the same, while GAUSS differed by 3% points. Noise profiles in dpetstep images conformed well to MC images, confirmed visually by scatter plot histograms, and statistically by tumor region of interest histogram comparisons that showed no significant differences (p < 0.01). Compared to GAUSS, dpetstep images and noise properties agreed better with MC. The authors have developed a fast and easy one-stop solution for simulations of dynamic PET and parametric images, and demonstrated that it generates both images and subsequent parametric images with very similar noise properties to those of MC images, in a fraction of the time. They believe dpetstep to be very useful for generating fast, simple, and realistic results, however since it uses simple scatter and random models it may not be suitable for studies investigating these phenomena. dpetstep can be downloaded free of cost from https://github.com/CRossSchmidtlein/dPETSTEP.

Simulating Eastern- and Central-Pacific Type ENSO Using a Simple Coupled Model

NASA Astrophysics Data System (ADS)

Fang, Xianghui; Zheng, Fei

2018-06-01

Severe biases exist in state-of-the-art general circulation models (GCMs) in capturing realistic central-Pacific (CP) El Niño structures. At the same time, many observational analyses have emphasized that thermocline (TH) feedback and zonal advective (ZA) feedback play dominant roles in the development of eastern-Pacific (EP) and CP El Niño-Southern Oscillation (ENSO), respectively. In this work, a simple linear air-sea coupled model, which can accurately depict the strength distribution of the TH and ZA feedbacks in the equatorial Pacific, is used to investigate these two types of El Niño. The results indicate that the model can reproduce the main characteristics of CP ENSO if the TH feedback is switched off and the ZA feedback is retained as the only positive feedback, confirming the dominant role played by ZA feedback in the development of CP ENSO. Further experiments indicate that, through a simple nonlinear control approach, many ENSO characteristics, including the existence of both CP and EP El Niño and the asymmetries between El Niño and La Niña, can be successfully captured using the simple linear air-sea coupled model. These analyses indicate that an accurate depiction of the climatological sea surface temperature distribution and the related ZA feedback, which are the subject of severe biases in GCMs, is very important in simulating a realistic CP El Niño.

Modeling of rock friction 2. Simulation of preseismic slip

USGS Publications Warehouse

Dieterich, J.H.

1979-01-01

The constitutive relations developed in the companion paper are used to model detailed observations of preseismic slip and the onset of unstable slip in biaxial laboratory experiments. The simulations employ a deterministic plane strain finite element model to represent the interactions both within the sliding blocks and between the blocks and the loading apparatus. Both experiments and simulations show that preseismic slip is controlled by initial inhomogeneity of shear stress along the sliding surface relative to the frictional strength. As a consequence of the inhomogeneity, stable slip begins at a point on the surface and the area of slip slowly expands as the external loading increases. A previously proposed correlation between accelerating rates of stable slip and growth of the area of slip is supported by the simulations. In the simulations and in the experiments, unstable slip occurs shortly after a propagating slip event traverses the sliding surface and breaks out at the ends of the sample. In the model the breakout of stable slip causes a sudden acceleration of slip rates. Because of velocity dependency of the constitutive relationship for friction, the rapid acceleration of slip causes a decrease in frictional strength. Instability occurs when the frictional strength decreases with displacement at a rate that exceeds the intrinsic unloading characteristics of the sample and test machine. A simple slider-spring model that does not consider preseismic slip appears to approximate the transition adequately from stable sliding to unstable slip as a function of normal stress, machine stiffness, and surface roughness for small samples. However, for large samples and for natural faults the simulations suggest that the simple model may be inaccurate because it does not take into account potentially large preseismic displacements that will alter the friction parameters prior to instability. Copyright ?? 1979 by the American Geophysical Union.

Rubber friction and tire dynamics.

PubMed

Persson, B N J

2011-01-12

We propose a simple rubber friction law, which can be used, for example, in models of tire (and vehicle) dynamics. The friction law is tested by comparing numerical results to the full rubber friction theory (Persson 2006 J. Phys.: Condens. Matter 18 7789). Good agreement is found between the two theories. We describe a two-dimensional (2D) tire model which combines the rubber friction model with a simple mass-spring description of the tire body. The tire model is very flexible and can be used to accurately calculate μ-slip curves (and the self-aligning torque) for braking and cornering or combined motion (e.g. braking during cornering). We present numerical results which illustrate the theory. Simulations of anti-blocking system (ABS) braking are performed using two simple control algorithms.

Geological terrain models

NASA Technical Reports Server (NTRS)

Kaupp, V. H.; Macdonald, H. C.; Waite, W. P.

1981-01-01

The initial phase of a program to determine the best interpretation strategy and sensor configuration for a radar remote sensing system for geologic applications is discussed. In this phase, terrain modeling and radar image simulation were used to perform parametric sensitivity studies. A relatively simple computer-generated terrain model is presented, and the data base, backscatter file, and transfer function for digital image simulation are described. Sets of images are presented that simulate the results obtained with an X-band radar from an altitude of 800 km and at three different terrain-illumination angles. The simulations include power maps, slant-range images, ground-range images, and ground-range images with statistical noise incorporated. It is concluded that digital image simulation and computer modeling provide cost-effective methods for evaluating terrain variations and sensor parameter changes, for predicting results, and for defining optimum sensor parameters.

The Role of Simulation in Microsurgical Training.

PubMed

Evgeniou, Evgenios; Walker, Harriet; Gujral, Sameer

Simulation has been established as an integral part of microsurgical training. The aim of this study was to assess and categorize the various simulation models in relation to the complexity of the microsurgical skill being taught and analyze the assessment methods commonly employed in microsurgical simulation training. Numerous courses have been established using simulation models. These models can be categorized, according to the level of complexity of the skill being taught, into basic, intermediate, and advanced. Microsurgical simulation training should be assessed using validated assessment methods. Assessment methods vary significantly from subjective expert opinions to self-assessment questionnaires and validated global rating scales. The appropriate assessment method should carefully be chosen based on the simulation modality. Simulation models should be validated, and a model with appropriate fidelity should be chosen according to the microsurgical skill being taught. Assessment should move from traditional simple subjective evaluations of trainee performance to validated tools. Future studies should assess the transferability of skills gained during simulation training to the real-life setting. Copyright © 2018 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

Effect of Capillary Tube’s Shape on Capillary Rising Regime for Viscos Fluids

NASA Astrophysics Data System (ADS)

Soroush, F.; Moosavi, A.

2018-05-01

When properties of the displacing fluid are considered, the rising profile of the penetrating fluid in a capillary tube deviates from its classical Lucas-Washburn profile. Also, shape of capillary tube can affect the rising profile in different aspects. In this article, effect of capillary tube’s shape on the vertical capillary motion in presence of gravity is investigated by considering the properties of the displacing fluid. According to the fact that the differential equation of the capillary rising for a non-simple wall type is very difficult to solve analytically, a finite element simulation model is used for this study. After validation of the simulation model with an experiment that has been done with a simple capillary tube, shape of the capillary tube’s wall is changed in order to understand its effects on the capillary rising and different motion regimes that may appear according to different geometries. The main focus of this article is on the sinusoidal wall shapes and comparing them with a simple wall.

Fitting mechanistic epidemic models to data: A comparison of simple Markov chain Monte Carlo approaches.

PubMed

Li, Michael; Dushoff, Jonathan; Bolker, Benjamin M

2018-07-01

Simple mechanistic epidemic models are widely used for forecasting and parameter estimation of infectious diseases based on noisy case reporting data. Despite the widespread application of models to emerging infectious diseases, we know little about the comparative performance of standard computational-statistical frameworks in these contexts. Here we build a simple stochastic, discrete-time, discrete-state epidemic model with both process and observation error and use it to characterize the effectiveness of different flavours of Bayesian Markov chain Monte Carlo (MCMC) techniques. We use fits to simulated data, where parameters (and future behaviour) are known, to explore the limitations of different platforms and quantify parameter estimation accuracy, forecasting accuracy, and computational efficiency across combinations of modeling decisions (e.g. discrete vs. continuous latent states, levels of stochasticity) and computational platforms (JAGS, NIMBLE, Stan).

Free-space optical channel simulator for weak-turbulence conditions.

PubMed

Bykhovsky, Dima

2015-11-01

Free-space optical (FSO) communication may be severely influenced by the inevitable turbulence effect that results in channel gain fluctuations and fading. The objective of this paper is to provide a simple and effective simulator of the weak-turbulence FSO channel that emulates the influence of the temporal covariance effect. Specifically, the proposed model is based on lognormal distributed samples with a corresponding correlation time. The simulator is based on the solution of the first-order stochastic differential equation (SDE). The results of the provided SDE analysis reveal its efficacy for turbulent channel modeling.

Numerical simulation study on the distribution law of smoke flow velocity in horizontal tunnel fire

NASA Astrophysics Data System (ADS)

Liu, Yejiao; Tian, Zhichao; Xue, Junhua; Wang, Wencai

2018-02-01

According to the fluid similarity theory, the simulation experiment system of mining tunnel fire is established. The grid division of experimental model roadway is carried on by GAMBIT software. By setting the boundary and initial conditions of smoke flow during fire period in FLUENT software, using RNG k-Ɛ two-equation turbulence model, energy equation and SIMPLE algorithm, the steady state numerical simulation of smoke flow velocity in mining tunnel is done to obtain the distribution law of smoke flow velocity in tunnel during fire period.

A zero-equation turbulence model for two-dimensional hybrid Hall thruster simulations

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

Cappelli, Mark A., E-mail: cap@stanford.edu; Young, Christopher V.; Cha, Eunsun

2015-11-15

We present a model for electron transport across the magnetic field of a Hall thruster and integrate this model into 2-D hybrid particle-in-cell simulations. The model is based on a simple scaling of the turbulent electron energy dissipation rate and the assumption that this dissipation results in Ohmic heating. Implementing the model into 2-D hybrid simulations is straightforward and leverages the existing framework for solving the electron fluid equations. The model recovers the axial variation in the mobility seen in experiments, predicting the generation of a transport barrier which anchors the region of plasma acceleration. The predicted xenon neutral andmore » ion velocities are found to be in good agreement with laser-induced fluorescence measurements.« less

Patterns, transitions and the role of leaders in the collective dynamics of a simple robotic flock

NASA Astrophysics Data System (ADS)

Tarcai, Norbert; Virágh, Csaba; Ábel, Dániel; Nagy, Máté; Várkonyi, Péter L.; Vásárhelyi, Gábor; Vicsek, Tamás

2011-04-01

We have developed an experimental setup of very simple self-propelled robots to observe collective motion emerging as a result of inelastic collisions only. A circular pool and commercial RC boats were the basis of our first setup, where we demonstrated that jamming, clustering, disordered and ordered motion are all present in such a simple experiment and showed that the noise level has a fundamental role in the generation of collective dynamics. Critical noise ranges and the transition characteristics between the different collective patterns were also examined. In our second experiment we used a real-time tracking system and a few steerable model boats to introduce intelligent leaders into the flock. We demonstrated that even a very small portion of guiding members can determine group direction and enhance ordering through inelastic collisions. We also showed that noise can facilitate and speed up ordering with leaders. Our work was extended with an agent-based simulation model, too, and close similarity between real and simulation results was observed. The simulation results show clear statistical evidence of three states and negative correlation between density and ordered motion due to the onset of jamming. Our experiments confirm the different theoretical studies and simulation results in the literature on the subject of collision-based, noise-dependent and leader-driven self-propelled particle systems.

Modeling, system identification, and control of ASTREX

NASA Technical Reports Server (NTRS)

Abhyankar, Nandu S.; Ramakrishnan, J.; Byun, K. W.; Das, A.; Cossey, Derek F.; Berg, J.

1993-01-01

The modeling, system identification and controller design aspects of the ASTREX precision space structure are presented in this work. Modeling of ASTREX is performed using NASTRAN, TREETOPS and I-DEAS. The models generated range from simple linear time-invariant models to nonlinear models used for large angle simulations. Identification in both the time and frequency domains are presented. The experimental set up and the results from the identification experiments are included. Finally, controller design for ASTREX is presented. Simulation results using this optimal controller demonstrate the controller performance. Finally the future directions and plans for the facility are addressed.

Carrier trajectory tracking equations for Simple-band Monte Carlo simulation of avalanche multiplication processes

NASA Astrophysics Data System (ADS)

Ong, J. S. L.; Charin, C.; Leong, J. H.

2017-12-01

Avalanche photodiodes (APDs) with steep electric field gradients generally have low excess noise that arises from carrier multiplication within the internal gain of the devices, and the Monte Carlo (MC) method is among popular device simulation tools for such devices. However, there are few articles relating to carrier trajectory modeling in MC models for such devices. In this work, a set of electric-field-gradient-dependent carrier trajectory tracking equations are developed and used to update the positions of carriers along the path during Simple-band Monte Carlo (SMC) simulations of APDs with non-uniform electric fields. The mean gain and excess noise results obtained from the SMC model employing these equations show good agreement with the results reported for a series of silicon diodes, including a p+n diode with steep electric field gradients. These results confirm the validity and demonstrate the feasibility of the trajectory tracking equations applied in SMC models for simulating mean gain and excess noise in APDs with non-uniform electric fields. Also, the simulation results of mean gain, excess noise, and carrier ionization positions obtained from the SMC model of this work agree well with those of the conventional SMC model employing the concept of a uniform electric field within a carrier free-flight. These results demonstrate that the electric field variation within a carrier free-flight has an insignificant effect on the predicted mean gain and excess noise results. Therefore, both the SMC model of this work and the conventional SMC model can be used to predict the mean gain and excess noise in APDs with highly non-uniform electric fields.

Simple Queueing Model Applied to the City of Portland

NASA Astrophysics Data System (ADS)

Simon, Patrice M.; Esser, Jörg; Nagel, Kai

We use a simple traffic micro-simulation model based on queueing dynamics as introduced by Gawron [IJMPC, 9(3):393, 1998] in order to simulate traffic in Portland/Oregon. Links have a flow capacity, that is, they do not release more vehicles per second than is possible according to their capacity. This leads to queue built-up if demand exceeds capacity. Links also have a storage capacity, which means that once a link is full, vehicles that want to enter the link need to wait. This leads to queue spill-back through the network. The model is compatible with route-plan-based approaches such as TRANSIMS, where each vehicle attempts to follow its pre-computed path. Yet, both the data requirements and the computational requirements are considerably lower than for the full TRANSIMS microsimulation. Indeed, the model uses standard emme/2 network data, and runs about eight times faster than real time with more than 100 000 vehicles simultaneously in the simulation on a single Pentium-type CPU. We derive the model's fundamental diagrams and explain it. The simulation is used to simulate traffic on the emme/2 network of the Portland (Oregon) metropolitan region (20 000 links). Demand is generated by a simplified home-to-work destination assignment which generates about half a million trips for the morning peak. Route assignment is done by iterative feedback between micro-simulation and router. An iterative solution of the route assignment for the above problem can be achieved within about half a day of computing time on a desktop workstation. We compare results with field data and with results of traditional assignment runs by the Portland Metropolitan Planning Organization. Thus, with a model such as this one, it is possible to use a dynamic, activities-based approach to transportation simulation (such as in TRANSIMS) with affordable data and hardware. This should enable systematic research about the coupling of demand generation, route assignment, and micro-simulation output.

Constraints on genes shape long-term conservation of macro-synteny in metazoan genomes.

PubMed

Lv, Jie; Havlak, Paul; Putnam, Nicholas H

2011-10-05

Many metazoan genomes conserve chromosome-scale gene linkage relationships ("macro-synteny") from the common ancestor of multicellular animal life 1234, but the biological explanation for this conservation is still unknown. Double cut and join (DCJ) is a simple, well-studied model of neutral genome evolution amenable to both simulation and mathematical analysis 5, but as we show here, it is not sufficent to explain long-term macro-synteny conservation. We examine a family of simple (one-parameter) extensions of DCJ to identify models and choices of parameters consistent with the levels of macro- and micro-synteny conservation observed among animal genomes. Our software implements a flexible strategy for incorporating genomic context into the DCJ model to incorporate various types of genomic context ("DCJ-[C]"), and is available as open source software from http://github.com/putnamlab/dcj-c. A simple model of genome evolution, in which DCJ moves are allowed only if they maintain chromosomal linkage among a set of constrained genes, can simultaneously account for the level of macro-synteny conservation and for correlated conservation among multiple pairs of species. Simulations under this model indicate that a constraint on approximately 7% of metazoan genes is sufficient to constrain genome rearrangement to an average rate of 25 inversions and 1.7 translocations per million years.

Structural Changes in Lipid Vesicles Generated by the Shock Blast Waves: Coarse-Grained Molecular Dynamics Simulation

DTIC Science & Technology

2013-11-01

duration, or shock-pulse shape. Used in this computational study is a coarse-grained model of the lipid vesicle as a simplified model of a cell...Figures iv List of Tables iv 1. Introduction 1 2. Model and Methods 3 3. Results and Discussion 6 3.1 Simulation of the Blast Waves with Low Peak...realistic detail but to focus on a simple model of the major constituent of a cell membrane, the phospholipid bilayer. In this work, we studied the

Modelling of nanoscale quantum tunnelling structures using algebraic topology method

NASA Astrophysics Data System (ADS)

Sankaran, Krishnaswamy; Sairam, B.

2018-05-01

We have modelled nanoscale quantum tunnelling structures using Algebraic Topology Method (ATM). The accuracy of ATM is compared to the analytical solution derived based on the wave nature of tunnelling electrons. ATM provides a versatile, fast, and simple model to simulate complex structures. We are currently expanding the method for modelling electrodynamic systems.

Modeling Smoke Plume-Rise and Dispersion from Southern United States Prescribed Burns with Daysmoke

Treesearch

G L Achtemeier; S L Goodrick; Y Liu; F Garcia-Menendez; Y Hu; M. Odman

2011-01-01

We present Daysmoke, an empirical-statistical plume rise and dispersion model for simulating smoke from prescribed burns. Prescribed fires are characterized by complex plume structure including multiple-core updrafts which makes modeling with simple plume models difficult. Daysmoke accounts for plume structure in a three-dimensional veering/sheering atmospheric...

Laminar flamelet modeling of turbulent diffusion flames

NASA Technical Reports Server (NTRS)

Mell, W. E.; Kosaly, G.; Planche, O.; Poinsot, T.; Ferziger, J. H.

1990-01-01

In modeling turbulent combustion, decoupling the chemistry from the turbulence is of great practical significance. In cases in which the equilibrium chemistry model breaks down, laminar flamelet modeling (LFM) is a promising approach to decoupling. Here, the validity of this approach is investigated using direct numerical simulation of a simple chemical reaction in two-dimensional turbulence.

Kinematic analysis of asymmetric folds in competent layers using mathematical modelling

NASA Astrophysics Data System (ADS)

Aller, J.; Bobillo-Ares, N. C.; Bastida, F.; Lisle, R. J.; Menéndez, C. O.

2010-08-01

Mathematical 2D modelling of asymmetric folds is carried out by applying a combination of different kinematic folding mechanisms: tangential longitudinal strain, flexural flow and homogeneous deformation. The main source of fold asymmetry is discovered to be due to the superimposition of a general homogeneous deformation on buckle folds that typically produces a migration of the hinge point. Forward modelling is performed mathematically using the software 'FoldModeler', by the superimposition of simple shear or a combination of simple shear and irrotational strain on initial buckle folds. The resulting folds are Ramsay class 1C folds, comparable to those formed by symmetric flattening, but with different length of limbs and layer thickness asymmetry. Inverse modelling is made by fitting the natural fold to a computer-simulated fold. A problem of this modelling is the search for the most appropriate homogeneous deformation to be superimposed on the initial fold. A comparative analysis of the irrotational and rotational deformations is made in order to find the deformation which best simulates the shapes and attitudes of natural folds. Modelling of recumbent folds suggests that optimal conditions for their development are: a) buckling in a simple shear regime with a sub-horizontal shear direction and layering gently dipping towards this direction; b) kinematic amplification due to superimposition of a combination of simple shear and irrotational strain with a sub-vertical maximum shortening direction for the latter component. The modelling shows that the amount of homogeneous strain necessary for the development of recumbent folds is much less when an irrotational strain component is superimposed at this stage that when the superimposed strain is only simple shear. In nature, the amount of the irrotational strain component probably increases during the development of the fold as a consequence of the increasing influence of the gravity due to the tectonic superimposition of rocks.

Comparison of computer models for estimating hydrology and water quality in an agricultural watershed

USDA-ARS?s Scientific Manuscript database

Various computer models, ranging from simple to complex, have been developed to simulate hydrology and water quality from field to watershed scales. However, many users are uncertain about which model to choose when estimating water quantity and quality conditions in a watershed. This study compared...

Determination of the transmission coefficients for quantum structures using FDTD method.

PubMed

Peng, Yangyang; Wang, Xiaoying; Sui, Wenquan

2011-12-01

The purpose of this work is to develop a simple method to incorporate quantum effect in traditional finite-difference time-domain (FDTD) simulators. Witch could make it possible to co-simulate systems include quantum structures and traditional components. In this paper, tunneling transmission coefficient is calculated by solving time-domain Schrödinger equation with a developed FDTD technique, called FDTD-S method. To validate the feasibility of the method, a simple resonant tunneling diode (RTD) structure model has been simulated using the proposed method. The good agreement between the numerical and analytical results proves its accuracy. The effectness and accuracy of this approach makes it a potential method for analysis and design of hybrid systems includes quantum structures and traditional components.

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

NASA Technical Reports Server (NTRS)

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

1990-01-01

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

Assessment of Alternative Conceptual Models Using Reactive Transport Modeling with Monitoring Data

NASA Astrophysics Data System (ADS)

Dai, Z.; Price, V.; Heffner, D.; Hodges, R.; Temples, T.; Nicholson, T.

2005-12-01

Monitoring data proved very useful in evaluating alternative conceptual models, simulating contaminant transport behavior, and reducing uncertainty. A graded approach using three alternative conceptual site models was formulated to simulate a field case of tetrachloroethene (PCE) transport and biodegradation. These models ranged from simple to complex in their representation of subsurface heterogeneities. The simplest model was a single-layer homogeneous aquifer that employed an analytical reactive transport code, BIOCHLOR (Aziz et al., 1999). Due to over-simplification of the aquifer structure, this simulation could not reproduce the monitoring data. The second model consisted of a multi-layer conceptual model, in combination with numerical modules, MODFLOW and RT3D within GMS, to simulate flow and reactive transport. Although the simulation results from the second model were comparatively better than those from the simple model, they still did not adequately reproduce the monitoring well concentrations because the geological structures were still inadequately defined. Finally, a more realistic conceptual model was formulated that incorporated heterogeneities and geologic structures identified from well logs and seismic survey data using the Petra and PetraSeis software. This conceptual model included both a major channel and a younger channel that were detected in the PCE source area. In this model, these channels control the local ground-water flow direction and provide a preferential chemical transport pathway. Simulation results using this conceptual site model proved compatible with the monitoring concentration data. This study demonstrates that the bias and uncertainty from inadequate conceptual models are much larger than those introduced from an inadequate choice of model parameter values (Neuman and Wierenga, 2003; Meyer et al., 2004; Ye et al., 2004). This case study integrated conceptual and numerical models, based on interpreted local hydrogeologic and geochemical data, with detailed monitoring plume data. It provided key insights for confirming alternative conceptual site models and assessing the performance of monitoring networks. A monitoring strategy based on this graded approach for assessing alternative conceptual models can provide the technical bases for identifying critical monitoring locations, adequate monitoring frequency, and performance indicator parameters for performance monitoring involving ground-water levels and PCE concentrations.

Prediction of Solution Properties of Flexible-Chain Polymers: A Computer Simulation Undergraduate Experiment

ERIC Educational Resources Information Center

de la Torre, Jose Garcia; Cifre, Jose G. Hernandez; Martinez, M. Carmen Lopez

2008-01-01

This paper describes a computational exercise at undergraduate level that demonstrates the employment of Monte Carlo simulation to study the conformational statistics of flexible polymer chains, and to predict solution properties. Three simple chain models, including excluded volume interactions, have been implemented in a public-domain computer…

Regional evaluation of evapotranspiration in the Everglades

USGS Publications Warehouse

German, Edward R.

1996-01-01

Understanding the water budget of the Everglades system is crucial to the success of restoration and management strategies. Although the water budget is simple in concept, it is difficult to assess quantitatively. Models used to simulate changes in water levels and vegetation resulting from management strategies need to accurately simulate all components of the water budget.

Rainfall Data Simulation

Treesearch

T.L. Rogerson

1980-01-01

A simple simulation model to predict rainfall for individual storms in central Arkansas is described. Output includes frequency distribution tables for days between storms and for storm size classes; a storm summary by day number (January 1 = 1 and December 31 = 365) and rainfall amount; and an annual storm summary that includes monthly values for rainfall and number...

Earth Model with Laser Beam Simulating Seismic Ray Paths.

ERIC Educational Resources Information Center

Ryan, John Arthur; Handzus, Thomas Jay, Jr.

1988-01-01

Described is a simple device, that uses a laser beam to simulate P waves. It allows students to follow ray paths, reflections and refractions within the earth. Included is a set of exercises that lead students through the steps by which the presence of the outer and inner cores can be recognized. (Author/CW)

Methods for Generating Complex Networks with Selected Structural Properties for Simulations: A Review and Tutorial for Neuroscientists

PubMed Central

Prettejohn, Brenton J.; Berryman, Matthew J.; McDonnell, Mark D.

2011-01-01

Many simulations of networks in computational neuroscience assume completely homogenous random networks of the Erdös–Rényi type, or regular networks, despite it being recognized for some time that anatomical brain networks are more complex in their connectivity and can, for example, exhibit the “scale-free” and “small-world” properties. We review the most well known algorithms for constructing networks with given non-homogeneous statistical properties and provide simple pseudo-code for reproducing such networks in software simulations. We also review some useful mathematical results and approximations associated with the statistics that describe these network models, including degree distribution, average path length, and clustering coefficient. We demonstrate how such results can be used as partial verification and validation of implementations. Finally, we discuss a sometimes overlooked modeling choice that can be crucially important for the properties of simulated networks: that of network directedness. The most well known network algorithms produce undirected networks, and we emphasize this point by highlighting how simple adaptations can instead produce directed networks. PMID:21441986

The effect of denaturant on protein stability: a Monte Carlo lattice simulation

NASA Astrophysics Data System (ADS)

Choi, Ho Sup; Huh, June; Jo, Won Ho

2003-03-01

Denaturants are the reagents that decrease protein stability by interacting with both nonpolar and polar surfaces of protein when added to the aqueous solvent. However, the physical nature of these interactions has not been clearly understood. It is not easy to elucidate the nature of denaturant theoretically or experimentally. Even in computer simulation, the denaturant atoms are unable to be dealt explicitly due to computationally enormous costs. We have used a lattice model of protein and denaturant. By varying concentration of denaturant and interaction energy between protein and denaturant, we have measured the change of stability of the protein. This simple model reflects the experimental observation that the free energy of unfolding is a linear function of denaturant concentration in the transition range. We have also performed a simulation under isotropic perturbation. In this case, denaturant molecules are not included and a biasing potential is introduced in order to increase the radius of gyration of protein, which incorporates the effect of denaturant implicitly. The calculated free energy landscape and conformational ensembles sampled under this condition is very close to those of simulation using denaturant molecules interacting with protein. We have applied this simple approach for simulating the effect of denaturant to real proteins.

Nonlinear modeling of wave-topography interactions, shear instabilities and shear induced wave breaking using vortex method

NASA Astrophysics Data System (ADS)

Guha, Anirban

2017-11-01

Theoretical studies on linear shear instabilities as well as different kinds of wave interactions often use simple velocity and/or density profiles (e.g. constant, piecewise) for obtaining good qualitative and quantitative predictions of the initial disturbances. Moreover, such simple profiles provide a minimal model to obtain a mechanistic understanding of shear instabilities. Here we have extended this minimal paradigm into nonlinear domain using vortex method. Making use of unsteady Bernoulli's equation in presence of linear shear, and extending Birkhoff-Rott equation to multiple interfaces, we have numerically simulated the interaction between multiple fully nonlinear waves. This methodology is quite general, and has allowed us to simulate diverse problems that can be essentially reduced to the minimal system with interacting waves, e.g. spilling and plunging breakers, stratified shear instabilities (Holmboe, Taylor-Caulfield, stratified Rayleigh), jet flows, and even wave-topography interaction problem like Bragg resonance. We found that the minimal models capture key nonlinear features (e.g. wave breaking features like cusp formation and roll-ups) which are observed in experiments and/or extensive simulations with smooth, realistic profiles.

Implementing the Simple Biosphere Model (SiB) in a general circulation model: Methodologies and results

NASA Technical Reports Server (NTRS)

Sato, N.; Sellers, P. J.; Randall, D. A.; Schneider, E. K.; Shukla, J.; Kinter, J. L., III; Hou, Y.-T.; Albertazzi, E.

1989-01-01

The Simple Biosphere MOdel (SiB) of Sellers et al., (1986) was designed to simulate the interactions between the Earth's land surface and the atmosphere by treating the vegetation explicitly and relistically, thereby incorporating biophysical controls on the exchanges of radiation, momentum, sensible and latent heat between the two systems. The steps taken to implement SiB in a modified version of the National Meteorological Center's spectral GCM are described. The coupled model (SiB-GCM) was used with a conventional hydrological model (Ctl-GCM) to produce summer and winter simulations. The same GCM was used with a conventional hydrological model (Ctl-GCM) to produce comparable 'control' summer and winter variations. It was found that SiB-GCM produced a more realistic partitioning of energy at the land surface than Ctl-GCM. Generally, SiB-GCM produced more sensible heat flux and less latent heat flux over vegetated land than did Ctl-GCM and this resulted in the development of a much deeper daytime planetary boundary and reduced precipitation rates over the continents in SiB-GCM. In the summer simulation, the 200 mb jet stream and the wind speed at 850 mb were slightly weakened in the SiB-GCM relative to the Ctl-GCM results and equivalent analyses from observations.

Modeling and experimental characterization of electromigration in interconnect trees

NASA Astrophysics Data System (ADS)

Thompson, C. V.; Hau-Riege, S. P.; Andleigh, V. K.

1999-11-01

Most modeling and experimental characterization of interconnect reliability is focussed on simple straight lines terminating at pads or vias. However, laid-out integrated circuits often have interconnects with junctions and wide-to-narrow transitions. In carrying out circuit-level reliability assessments it is important to be able to assess the reliability of these more complex shapes, generally referred to as `trees.' An interconnect tree consists of continuously connected high-conductivity metal within one layer of metallization. Trees terminate at diffusion barriers at vias and contacts, and, in the general case, can have more than one terminating branch when they include junctions. We have extended the understanding of `immortality' demonstrated and analyzed for straight stud-to-stud lines, to trees of arbitrary complexity. This leads to a hierarchical approach for identifying immortal trees for specific circuit layouts and models for operation. To complete a circuit-level-reliability analysis, it is also necessary to estimate the lifetimes of the mortal trees. We have developed simulation tools that allow modeling of stress evolution and failure in arbitrarily complex trees. We are testing our models and simulations through comparisons with experiments on simple trees, such as lines broken into two segments with different currents in each segment. Models, simulations and early experimental results on the reliability of interconnect trees are shown to be consistent.

Modeling ultrasonic compression wave absorption during the seeded crystallization of copper (II) sulphate pentahydrate from aqueous solution.

PubMed

Marshall, Thomas; Challis, Richard E; Holmes, Andrew K; Tebbutt, John S

2002-11-01

Ultrasonic compression wave absorption is investigated as a means to monitor the seeded crystallization of copper (II) sulphate pentahydrate from aqueous solution. Simple models are applied to predict crystal yield, crystal size distribution, and the changing nature of the continuous phase. The Allegra-Hawley scattering formulation is used to simulate ultrasonic absorption as crystallization proceeds. Experiments confirm that simulated attenuation is in agreement with measured results.

Full Core TREAT Kinetics Demonstration Using Rattlesnake/BISON Coupling Within MAMMOTH

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

Ortensi, Javier; DeHart, Mark D.; Gleicher, Frederick N.

2015-08-01

This report summarizes key aspects of research in evaluation of modeling needs for TREAT transient simulation. Using a measured TREAT critical measurement and a transient for a small, experimentally simplified core, Rattlesnake and MAMMOTH simulations are performed building from simple infinite media to a full core model. Cross sections processing methods are evaluated, various homogenization approaches are assessed and the neutronic behavior of the core studied to determine key modeling aspects. The simulation of the minimum critical core with the diffusion solver shows very good agreement with the reference Monte Carlo simulation and the experiment. The full core transient simulationmore » with thermal feedback shows a significantly lower power peak compared to the documented experimental measurement, which is not unexpected in the early stages of model development.« less

A Model for Simulating the Response of Aluminum Honeycomb Structure to Transverse Loading

NASA Technical Reports Server (NTRS)

Ratcliffe, James G.; Czabaj, Michael W.; Jackson, Wade C.

2012-01-01

A 1-dimensional material model was developed for simulating the transverse (thickness-direction) loading and unloading response of aluminum honeycomb structure. The model was implemented as a user-defined material subroutine (UMAT) in the commercial finite element analysis code, ABAQUS(Registered TradeMark)/Standard. The UMAT has been applied to analyses for simulating quasi-static indentation tests on aluminum honeycomb-based sandwich plates. Comparison of analysis results with data from these experiments shows overall good agreement. Specifically, analyses of quasi-static indentation tests yielded accurate global specimen responses. Predicted residual indentation was also in reasonable agreement with measured values. Overall, this simple model does not involve a significant computational burden, which makes it more tractable to simulate other damage mechanisms in the same analysis.

The Bern Simple Climate Model (BernSCM) v1.0: an extensible and fully documented open-source re-implementation of the Bern reduced-form model for global carbon cycle-climate simulations

NASA Astrophysics Data System (ADS)

Strassmann, Kuno M.; Joos, Fortunat

2018-05-01

The Bern Simple Climate Model (BernSCM) is a free open-source re-implementation of a reduced-form carbon cycle-climate model which has been used widely in previous scientific work and IPCC assessments. BernSCM represents the carbon cycle and climate system with a small set of equations for the heat and carbon budget, the parametrization of major nonlinearities, and the substitution of complex component systems with impulse response functions (IRFs). The IRF approach allows cost-efficient yet accurate substitution of detailed parent models of climate system components with near-linear behavior. Illustrative simulations of scenarios from previous multimodel studies show that BernSCM is broadly representative of the range of the climate-carbon cycle response simulated by more complex and detailed models. Model code (in Fortran) was written from scratch with transparency and extensibility in mind, and is provided open source. BernSCM makes scientifically sound carbon cycle-climate modeling available for many applications. Supporting up to decadal time steps with high accuracy, it is suitable for studies with high computational load and for coupling with integrated assessment models (IAMs), for example. Further applications include climate risk assessment in a business, public, or educational context and the estimation of CO2 and climate benefits of emission mitigation options.

Exploring the Use of Computer Simulations in Unraveling Research and Development Governance Problems

NASA Technical Reports Server (NTRS)

Balaban, Mariusz A.; Hester, Patrick T.

2012-01-01

Understanding Research and Development (R&D) enterprise relationships and processes at a governance level is not a simple task, but valuable decision-making insight and evaluation capabilities can be gained from their exploration through computer simulations. This paper discusses current Modeling and Simulation (M&S) methods, addressing their applicability to R&D enterprise governance. Specifically, the authors analyze advantages and disadvantages of the four methodologies used most often by M&S practitioners: System Dynamics (SO), Discrete Event Simulation (DES), Agent Based Modeling (ABM), and formal Analytic Methods (AM) for modeling systems at the governance level. Moreover, the paper describes nesting models using a multi-method approach. Guidance is provided to those seeking to employ modeling techniques in an R&D enterprise for the purposes of understanding enterprise governance. Further, an example is modeled and explored for potential insight. The paper concludes with recommendations regarding opportunities for concentration of future work in modeling and simulating R&D governance relationships and processes.

PREDICTIVE MODEL OF CONJUGATIVE PLASMID TRANSFER IN THE RHIZOSPHERE AND PHYLLOSPHERE

EPA Science Inventory

A computer simulation model was used to predict the dynamics of survival and conjugation of Pseudomonas cepacia (carrying the transmissible recombinant plasmid R388:Tn1721) with a nonrecombinant recipient strain in simple rhizosphere and phyllosphere microcosms. lasmid transfer r...

A Numerical and Experimental Study of Damage Growth in a Composite Laminate

NASA Technical Reports Server (NTRS)

McElroy, Mark; Ratcliffe, James; Czabaj, Michael; Wang, John; Yuan, Fuh-Gwo

2014-01-01

The present study has three goals: (1) perform an experiment where a simple laminate damage process can be characterized in high detail; (2) evaluate the performance of existing commercially available laminate damage simulation tools by modeling the experiment; (3) observe and understand the underlying physics of damage in a composite honeycomb sandwich structure subjected to low-velocity impact. A quasi-static indentation experiment has been devised to provide detailed information about a simple mixed-mode damage growth process. The test specimens consist of an aluminum honeycomb core with a cross-ply laminate facesheet supported on a stiff uniform surface. When the sample is subjected to an indentation load, the honeycomb core provides support to the facesheet resulting in a gradual and stable damage growth process in the skin. This enables real time observation as a matrix crack forms, propagates through a ply, and then causes a delamination. Finite element analyses were conducted in ABAQUS/Explicit(TradeMark) 6.13 that used continuum and cohesive modeling techniques to simulate facesheet damage and a geometric and material nonlinear model to simulate core crushing. The high fidelity of the experimental data allows a detailed investigation and discussion of the accuracy of each numerical modeling approach.

Simulation of C. elegans thermotactic behavior in a linear thermal gradient using a simple phenomenological motility model.

PubMed

Matsuoka, Tomohiro; Gomi, Sohei; Shingai, Ryuzo

2008-01-21

The nematode Caenorhabditis elegans has been reported to exhibit thermotaxis, a sophisticated behavioral response to temperature. However, there appears to be some inconsistency among previous reports. The results of population-level thermotaxis investigations suggest that C. elegans can navigate to the region of its cultivation temperature from nearby regions of higher or lower temperature. However, individual C. elegans nematodes appear to show only cryophilic tendencies above their cultivation temperature. A Monte-Carlo style simulation using a simple individual model of C. elegans provides insight into clarifying apparent inconsistencies among previous findings. The simulation using the thermotaxis model that includes the cryophilic tendencies, isothermal tracking and thermal adaptation was conducted. As a result of the random walk property of locomotion of C. elegans, only cryophilic tendencies above the cultivation temperature result in population-level thermophilic tendencies. Isothermal tracking, a period of active pursuit of an isotherm around regions of temperature near prior cultivation temperature, can strengthen the tendencies of these worms to gather around near-cultivation-temperature regions. A statistical index, the thermotaxis (TTX) L-skewness, was introduced and was useful in analyzing the population-level thermotaxis of model worms.

A Simple and Accurate Rate-Driven Infiltration Model

NASA Astrophysics Data System (ADS)

Cui, G.; Zhu, J.

2017-12-01

In this study, we develop a novel Rate-Driven Infiltration Model (RDIMOD) for simulating infiltration into soils. Unlike traditional methods, RDIMOD avoids numerically solving the highly non-linear Richards equation or simply modeling with empirical parameters. RDIMOD employs infiltration rate as model input to simulate one-dimensional infiltration process by solving an ordinary differential equation. The model can simulate the evolutions of wetting front, infiltration rate, and cumulative infiltration on any surface slope including vertical and horizontal directions. Comparing to the results from the Richards equation for both vertical infiltration and horizontal infiltration, RDIMOD simply and accurately predicts infiltration processes for any type of soils and soil hydraulic models without numerical difficulty. Taking into account the accuracy, capability, and computational effectiveness and stability, RDIMOD can be used in large-scale hydrologic and land-atmosphere modeling.

Experimental investigation and numerical simulation of 3He gas diffusion in simple geometries: implications for analytical models of 3He MR lung morphometry.

PubMed

Parra-Robles, J; Ajraoui, S; Deppe, M H; Parnell, S R; Wild, J M

2010-06-01

Models of lung acinar geometry have been proposed to analytically describe the diffusion of (3)He in the lung (as measured with pulsed gradient spin echo (PGSE) methods) as a possible means of characterizing lung microstructure from measurement of the (3)He ADC. In this work, major limitations in these analytical models are highlighted in simple diffusion weighted experiments with (3)He in cylindrical models of known geometry. The findings are substantiated with numerical simulations based on the same geometry using finite difference representation of the Bloch-Torrey equation. The validity of the existing "cylinder model" is discussed in terms of the physical diffusion regimes experienced and the basic reliance of the cylinder model and other ADC-based approaches on a Gaussian diffusion behaviour is highlighted. The results presented here demonstrate that physical assumptions of the cylinder model are not valid for large diffusion gradient strengths (above approximately 15 mT/m), which are commonly used for (3)He ADC measurements in human lungs. (c) 2010 Elsevier Inc. All rights reserved.

Spin glass model for dynamics of cell reprogramming

NASA Astrophysics Data System (ADS)

Pusuluri, Sai Teja; Lang, Alex H.; Mehta, Pankaj; Castillo, Horacio E.

2015-03-01

Recent experiments show that differentiated cells can be reprogrammed to become pluripotent stem cells. The possible cell fates can be modeled as attractors in a dynamical system, the ``epigenetic landscape.'' Both cellular differentiation and reprogramming can be described in the landscape picture as motion from one attractor to another attractor. We perform Monte Carlo simulations in a simple model of the landscape. This model is based on spin glass theory and it can be used to construct a simulated epigenetic landscape starting from the experimental genomic data. We re-analyse data from several cell reprogramming experiments and compare with our simulation results. We find that the model can reproduce some of the main features of the dynamics of cell reprogramming.

Remotely sensed soil moisture input to a hydrologic model

NASA Technical Reports Server (NTRS)

Engman, E. T.; Kustas, W. P.; Wang, J. R.

1989-01-01

The possibility of using detailed spatial soil moisture maps as input to a runoff model was investigated. The water balance of a small drainage basin was simulated using a simple storage model. Aircraft microwave measurements of soil moisture were used to construct two-dimensional maps of the spatial distribution of the soil moisture. Data from overflights on different dates provided the temporal changes resulting from soil drainage and evapotranspiration. The study site and data collection are described, and the soil measurement data are given. The model selection is discussed, and the simulation results are summarized. It is concluded that a time series of soil moisture is a valuable new type of data for verifying model performance and for updating and correcting simulated streamflow.

High-fidelity meshes from tissue samples for diffusion MRI simulations.

PubMed

Panagiotaki, Eleftheria; Hall, Matt G; Zhang, Hui; Siow, Bernard; Lythgoe, Mark F; Alexander, Daniel C

2010-01-01

This paper presents a method for constructing detailed geometric models of tissue microstructure for synthesizing realistic diffusion MRI data. We construct three-dimensional mesh models from confocal microscopy image stacks using the marching cubes algorithm. Random-walk simulations within the resulting meshes provide synthetic diffusion MRI measurements. Experiments optimise simulation parameters and complexity of the meshes to achieve accuracy and reproducibility while minimizing computation time. Finally we assess the quality of the synthesized data from the mesh models by comparison with scanner data as well as synthetic data from simple geometric models and simplified meshes that vary only in two dimensions. The results support the extra complexity of the three-dimensional mesh compared to simpler models although sensitivity to the mesh resolution is quite robust.

A multiscale method for modeling high-aspect-ratio micro/nano flows

NASA Astrophysics Data System (ADS)

Lockerby, Duncan; Borg, Matthew; Reese, Jason

2012-11-01

In this paper we present a new multiscale scheme for simulating micro/nano flows of high aspect ratio in the flow direction, e.g. within long ducts, tubes, or channels, of varying section. The scheme consists of applying a simple hydrodynamic description over the entire domain, and allocating micro sub-domains in very small ``slices'' of the channel. Every micro element is a molecular dynamics simulation (or other appropriate model, e.g., a direct simulation Monte Carlo method for micro-channel gas flows) over the local height of the channel/tube. The number of micro elements as well as their streamwise position is chosen to resolve the geometrical features of the macro channel. While there is no direct communication between individual micro elements, coupling occurs via an iterative imposition of mass and momentum-flux conservation on the macro scale. The greater the streamwise scale of the geometry, the more significant is the computational speed-up when compared to a full MD simulation. We test our new multiscale method on the case of a converging/diverging nanochannel conveying a simple Lennard-Jones liquid. We validate the results from our simulations by comparing them to a full MD simulation of the same test case. Supported by EPSRC Programme Grant, EP/I011927/1.

Continued Research into Characterizing the Preturbulence Environment for Sensor Development, New Hazard Algorithms and Experimental Flight Planning

NASA Technical Reports Server (NTRS)

Kaplan, Michael L.; Lin, Yuh-Lang

2005-01-01

The purpose of the research was to develop and test improved hazard algorithms that could result in the development of sensors that are better able to anticipate potentially severe atmospheric turbulence, which affects aircraft safety. The research focused on employing numerical simulation models to develop improved algorithms for the prediction of aviation turbulence. This involved producing both research simulations and real-time simulations of environments predisposed to moderate and severe aviation turbulence. The research resulted in the following fundamental advancements toward the aforementioned goal: 1) very high resolution simulations of turbulent environments indicated how predictive hazard indices could be improved resulting in a candidate hazard index that indicated the potential for improvement over existing operational indices, 2) a real-time turbulence hazard numerical modeling system was improved by correcting deficiencies in its simulation of moist convection and 3) the same real-time predictive system was tested by running the code twice daily and the hazard prediction indices updated and improved. Additionally, a simple validation study was undertaken to determine how well a real time hazard predictive index performed when compared to commercial pilot observations of aviation turbulence. Simple statistical analyses were performed in this validation study indicating potential skill in employing the hazard prediction index to predict regions of varying intensities of aviation turbulence. Data sets from a research numerical model where provided to NASA for use in a large eddy simulation numerical model. A NASA contractor report and several refereed journal articles where prepared and submitted for publication during the course of this research.

Advanced simulation model for IPM motor drive with considering phase voltage and stator inductance

NASA Astrophysics Data System (ADS)

Lee, Dong-Myung; Park, Hyun-Jong; Lee, Ju

2016-10-01

This paper proposes an advanced simulation model of driving system for Interior Permanent Magnet (IPM) BrushLess Direct Current (BLDC) motors driven by 120-degree conduction method (two-phase conduction method, TPCM) that is widely used for sensorless control of BLDC motors. BLDC motors can be classified as SPM (Surface mounted Permanent Magnet) and IPM motors. Simulation model of driving system with SPM motors is simple due to the constant stator inductance regardless of the rotor position. Simulation models of SPM motor driving system have been proposed in many researches. On the other hand, simulation models for IPM driving system by graphic-based simulation tool such as Matlab/Simulink have not been proposed. Simulation study about driving system of IPMs with TPCM is complex because stator inductances of IPM vary with the rotor position, as permanent magnets are embedded in the rotor. To develop sensorless scheme or improve control performance, development of control algorithm through simulation study is essential, and the simulation model that accurately reflects the characteristic of IPM is required. Therefore, this paper presents the advanced simulation model of IPM driving system, which takes into account the unique characteristic of IPM due to the position-dependent inductances. The validity of the proposed simulation model is validated by comparison to experimental and simulation results using IPM with TPCM control scheme.

Propulsion simulation for magnetically suspended wind tunnel models

NASA Technical Reports Server (NTRS)

Joshi, Prakash B.; Beerman, Henry P.; Chen, James; Krech, Robert H.; Lintz, Andrew L.; Rosen, David I.

1990-01-01

The feasibility of simulating propulsion-induced aerodynamic effects on scaled aircraft models in wind tunnels employing Magnetic Suspension and Balance Systems. The investigation concerned itself with techniques of generating exhaust jets of appropriate characteristics. The objectives were to: (1) define thrust and mass flow requirements of jets; (2) evaluate techniques for generating propulsive gas within volume limitations imposed by magnetically-suspended models; (3) conduct simple diagnostic experiments for techniques involving new concepts; and (4) recommend experiments for demonstration of propulsion simulation techniques. Various techniques of generating exhaust jets of appropriate characteristics were evaluated on scaled aircraft models in wind tunnels with MSBS. Four concepts of remotely-operated propulsion simulators were examined. Three conceptual designs involving innovative adaptation of convenient technologies (compressed gas cylinders, liquid, and solid propellants) were developed. The fourth innovative concept, namely, the laser-assisted thruster, which can potentially simulate both inlet and exhaust flows, was found to require very high power levels for small thrust levels.

Scavenging and recombination kinetics in a radiation spur: The successive ordered scavenging events

NASA Astrophysics Data System (ADS)

Al-Samra, Eyad H.; Green, Nicholas J. B.

2018-03-01

This study describes stochastic models to investigate the successive ordered scavenging events in a spur of four radicals, a model system based on a radiation spur. Three simulation models have been developed to obtain the probabilities of the ordered scavenging events: (i) a Monte Carlo random flight (RF) model, (ii) hybrid simulations in which the reaction rate coefficient is used to generate scavenging times for the radicals and (iii) the independent reaction times (IRT) method. The results of these simulations are found to be in agreement with one another. In addition, a detailed master equation treatment is also presented, and used to extract simulated rate coefficients of the ordered scavenging reactions from the RF simulations. These rate coefficients are transient, the rate coefficients obtained for subsequent reactions are effectively equal, and in reasonable agreement with the simple correction for competition effects that has recently been proposed.

Calculation of tip clearance effects in a transonic compressor rotor

NASA Technical Reports Server (NTRS)

Chima, R. V.

1996-01-01

The flow through the tip clearance region of a transonic compressor rotor (NASA rotor 37) was computed and compared to aerodynamic probe and laser anemometer data. Tip clearance effects were modeled both by gridding the clearance gap and by using a simple periodicity model across the ungridded gap. The simple model was run with both the full gap height, and with half the gap height to simulate a vena-contracta effect. Comparisons between computed and measured performance maps and downstream profiles were used to validate the models and to assess the effects of gap height on the simple clearance model. Recommendations were made concerning the use of the simple clearance model. Detailed comparisons were made between the gridded clearance gap solution and the laser anemometer data near the tip at two operating points. The computer results agreed fairly well with the data but overpredicted the extent of the casing separation and underpredicted the wake decay rate. The computations were then used to describe the interaction of the tip vortex, the passage shock, and the casing boundary layer.

Understanding the complex dynamics of stock markets through cellular automata

NASA Astrophysics Data System (ADS)

Qiu, G.; Kandhai, D.; Sloot, P. M. A.

2007-04-01

We present a cellular automaton (CA) model for simulating the complex dynamics of stock markets. Within this model, a stock market is represented by a two-dimensional lattice, of which each vertex stands for a trader. According to typical trading behavior in real stock markets, agents of only two types are adopted: fundamentalists and imitators. Our CA model is based on local interactions, adopting simple rules for representing the behavior of traders and a simple rule for price updating. This model can reproduce, in a simple and robust manner, the main characteristics observed in empirical financial time series. Heavy-tailed return distributions due to large price variations can be generated through the imitating behavior of agents. In contrast to other microscopic simulation (MS) models, our results suggest that it is not necessary to assume a certain network topology in which agents group together, e.g., a random graph or a percolation network. That is, long-range interactions can emerge from local interactions. Volatility clustering, which also leads to heavy tails, seems to be related to the combined effect of a fast and a slow process: the evolution of the influence of news and the evolution of agents’ activity, respectively. In a general sense, these causes of heavy tails and volatility clustering appear to be common among some notable MS models that can confirm the main characteristics of financial markets.

Simple cellular automaton model for traffic breakdown, highway capacity, and synchronized flow

NASA Astrophysics Data System (ADS)

Kerner, Boris S.; Klenov, Sergey L.; Schreckenberg, Michael

2011-10-01

We present a simple cellular automaton (CA) model for two-lane roads explaining the physics of traffic breakdown, highway capacity, and synchronized flow. The model consists of the rules “acceleration,” “deceleration,” “randomization,” and “motion” of the Nagel-Schreckenberg CA model as well as “overacceleration through lane changing to the faster lane,” “comparison of vehicle gap with the synchronization gap,” and “speed adaptation within the synchronization gap” of Kerner's three-phase traffic theory. We show that these few rules of the CA model can appropriately simulate fundamental empirical features of traffic breakdown and highway capacity found in traffic data measured over years in different countries, like characteristics of synchronized flow, the existence of the spontaneous and induced breakdowns at the same bottleneck, and associated probabilistic features of traffic breakdown and highway capacity. Single-vehicle data derived in model simulations show that synchronized flow first occurs and then self-maintains due to a spatiotemporal competition between speed adaptation to a slower speed of the preceding vehicle and passing of this slower vehicle. We find that the application of simple dependences of randomization probability and synchronization gap on driving situation allows us to explain the physics of moving synchronized flow patterns and the pinch effect in synchronized flow as observed in real traffic data.

Elastic constants from microscopic strain fluctuations

PubMed

Sengupta; Nielaba; Rao; Binder

2000-02-01

Fluctuations of the instantaneous local Lagrangian strain epsilon(ij)(r,t), measured with respect to a static "reference" lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse-grained by averaging them within subsystems (of size L(b)) of a system (of total size L) in the canonical ensemble. Using a simple finite size scaling theory we predict the behavior of the fluctuations as a function of L(b)/L and extract elastic constants of the system in the thermodynamic limit at nonzero temperature. Our method is simple to implement, efficient, and general enough to be able to handle a wide class of model systems, including those with singular potentials without any essential modification. We illustrate the technique by computing isothermal elastic constants of "hard" and "soft" disk triangular solids in two dimensions from Monte Carlo and molecular dynamics simulations. We compare our results with those from earlier simulations and theory.

Exploring the neural bases of goal-directed motor behavior using fully resolved simulations

NASA Astrophysics Data System (ADS)

Patel, Namu; Patankar, Neelesh A.

2016-11-01

Undulatory swimming is an ideal problem for understanding the neural architecture for motor control and movement; a vertebrate's robust morphology and adaptive locomotive gait allows the swimmer to navigate complex environments. Simple mathematical models for neurally activated muscle contractions have been incorporated into a swimmer immersed in fluid. Muscle contractions produce bending moments which determine the swimming kinematics. The neurobiology of goal-directed locomotion is explored using fast, efficient, and fully resolved constraint-based immersed boundary simulations. Hierarchical control systems tune the strength, frequency, and duty cycle for neural activation waves to produce multifarious swimming gaits or synergies. Simulation results are used to investigate why the basal ganglia and other control systems may command a particular neural pattern to accomplish a task. Using simple neural models, the effect of proprioceptive feedback on refining the body motion is demonstrated. Lastly, the ability for a learned swimmer to successfully navigate a complex environment is tested. This work is supported by NSF CBET 1066575 and NSF CMMI 0941674.

Massive optimal data compression and density estimation for scalable, likelihood-free inference in cosmology

NASA Astrophysics Data System (ADS)

Alsing, Justin; Wandelt, Benjamin; Feeney, Stephen

2018-07-01

Many statistical models in cosmology can be simulated forwards but have intractable likelihood functions. Likelihood-free inference methods allow us to perform Bayesian inference from these models using only forward simulations, free from any likelihood assumptions or approximations. Likelihood-free inference generically involves simulating mock data and comparing to the observed data; this comparison in data space suffers from the curse of dimensionality and requires compression of the data to a small number of summary statistics to be tractable. In this paper, we use massive asymptotically optimal data compression to reduce the dimensionality of the data space to just one number per parameter, providing a natural and optimal framework for summary statistic choice for likelihood-free inference. Secondly, we present the first cosmological application of Density Estimation Likelihood-Free Inference (DELFI), which learns a parametrized model for joint distribution of data and parameters, yielding both the parameter posterior and the model evidence. This approach is conceptually simple, requires less tuning than traditional Approximate Bayesian Computation approaches to likelihood-free inference and can give high-fidelity posteriors from orders of magnitude fewer forward simulations. As an additional bonus, it enables parameter inference and Bayesian model comparison simultaneously. We demonstrate DELFI with massive data compression on an analysis of the joint light-curve analysis supernova data, as a simple validation case study. We show that high-fidelity posterior inference is possible for full-scale cosmological data analyses with as few as ˜104 simulations, with substantial scope for further improvement, demonstrating the scalability of likelihood-free inference to large and complex cosmological data sets.

Validation of the thermal code of RadTherm-IR, IR-Workbench, and F-TOM

NASA Astrophysics Data System (ADS)

Schwenger, Frédéric; Grossmann, Peter; Malaplate, Alain

2009-05-01

System assessment by image simulation requires synthetic scenarios that can be viewed by the device to be simulated. In addition to physical modeling of the camera, a reliable modeling of scene elements is necessary. Software products for modeling of target data in the IR should be capable of (i) predicting surface temperatures of scene elements over a long period of time and (ii) computing sensor views of the scenario. For such applications, FGAN-FOM acquired the software products RadTherm-IR (ThermoAnalytics Inc., Calumet, USA; IR-Workbench (OKTAL-SE, Toulouse, France). Inspection of the accuracy of simulation results by validation is necessary before using these products for applications. In the first step of validation, the performance of both "thermal solvers" was determined through comparison of the computed diurnal surface temperatures of a simple object with the corresponding values from measurements. CUBI is a rather simple geometric object with well known material parameters which makes it suitable for testing and validating object models in IR. It was used in this study as a test body. Comparison of calculated and measured surface temperature values will be presented, together with the results from the FGAN-FOM thermal object code F-TOM. In the second validation step, radiances of the simulated sensor views computed by RadTherm-IR and IR-Workbench will be compared with radiances retrieved from the recorded sensor images taken by the sensor that was simulated. Strengths and weaknesses of the models RadTherm-IR, IR-Workbench and F-TOM will be discussed.

Simulating Donnan equilibria based on the Nernst-Planck equation

NASA Astrophysics Data System (ADS)

Gimmi, Thomas; Alt-Epping, Peter

2018-07-01

Understanding ion transport through clays and clay membranes is important for many geochemical and environmental applications. Ion transport is affected by electrostatic forces exerted by charged clay surfaces. Anions are partly excluded from pore water near these surfaces, whereas cations are enriched. Such effects can be modeled by the Donnan approach. Here we introduce a new, comparatively simple way to represent Donnan equilibria in transport simulations. We include charged surfaces as immobile ions in the balance equation and calculate coupled transport of all components, including the immobile charges, with the Nernst-Planck equation. This results in an additional diffusion potential that influences ion transport, leading to Donnan ion distributions while maintaining local charge balance. The validity of our new approach was demonstrated by comparing Nernst-Planck simulations using the reactive transport code Flotran with analytical solutions available for simple Donnan systems. Attention has to be paid to the numerical evaluation of the electrochemical migration term in the Nernst-Planck equation to obtain correct results for asymmetric electrolytes. Sensitivity simulations demonstrate the influence of various Donnan model parameters on simulated anion accessible porosities. It is furthermore shown that the salt diffusion coefficient in a Donnan pore depends on local concentrations, in contrast to the aqueous salt diffusion coefficient. Our approach can be easily implemented into other transport codes. It is versatile and facilitates, for instance, assessing the implications of different activity models for the Donnan porosity.

A versatile model for soft patchy particles with various patch arrangements.

PubMed

Li, Zhan-Wei; Zhu, You-Liang; Lu, Zhong-Yuan; Sun, Zhao-Yan

2016-01-21

We propose a simple and general mesoscale soft patchy particle model, which can felicitously describe the deformable and surface-anisotropic characteristics of soft patchy particles. This model can be used in dynamics simulations to investigate the aggregation behavior and mechanism of various types of soft patchy particles with tunable number, size, direction, and geometrical arrangement of the patches. To improve the computational efficiency of this mesoscale model in dynamics simulations, we give the simulation algorithm that fits the compute unified device architecture (CUDA) framework of NVIDIA graphics processing units (GPUs). The validation of the model and the performance of the simulations using GPUs are demonstrated by simulating several benchmark systems of soft patchy particles with 1 to 4 patches in a regular geometrical arrangement. Because of its simplicity and computational efficiency, the soft patchy particle model will provide a powerful tool to investigate the aggregation behavior of soft patchy particles, such as patchy micelles, patchy microgels, and patchy dendrimers, over larger spatial and temporal scales.

Architectural-level power estimation and experimentation

NASA Astrophysics Data System (ADS)

Ye, Wu

With the emergence of a plethora of embedded and portable applications and ever increasing integration levels, power dissipation of integrated circuits has moved to the forefront as a design constraint. Recent years have also seen a significant trend towards designs starting at the architectural (or RT) level. Those demand accurate yet fast RT level power estimation methodologies and tools. This thesis addresses issues and experiments associate with architectural level power estimation. An execution driven, cycle-accurate RT level power simulator, SimplePower, was developed using transition-sensitive energy models. It is based on the architecture of a five-stage pipelined RISC datapath for both 0.35mum and 0.8mum technology and can execute the integer subset of the instruction set of SimpleScalar . SimplePower measures the energy consumed in the datapath, memory and on-chip buses. During the development of SimplePower , a partitioning power modeling technique was proposed to model the energy consumed in complex functional units. The accuracy of this technique was validated with HSPICE simulation results for a register file and a shifter. A novel, selectively gated pipeline register optimization technique was proposed to reduce the datapath energy consumption. It uses the decoded control signals to selectively gate the data fields of the pipeline registers. Simulation results show that this technique can reduce the datapath energy consumption by 18--36% for a set of benchmarks. A low-level back-end compiler optimization, register relabeling, was applied to reduce the on-chip instruction cache data bus switch activities. Its impact was evaluated by SimplePower. Results show that it can reduce the energy consumed in the instruction data buses by 3.55--16.90%. A quantitative evaluation was conducted for the impact of six state-of-art high-level compilation techniques on both datapath and memory energy consumption. The experimental results provide a valuable insight for designers to develop future power-aware compilation frameworks for embedded systems.

A linked simulation-optimization model for solving the unknown groundwater pollution source identification problems.

PubMed

Ayvaz, M Tamer

2010-09-20

This study proposes a linked simulation-optimization model for solving the unknown groundwater pollution source identification problems. In the proposed model, MODFLOW and MT3DMS packages are used to simulate the flow and transport processes in the groundwater system. These models are then integrated with an optimization model which is based on the heuristic harmony search (HS) algorithm. In the proposed simulation-optimization model, the locations and release histories of the pollution sources are treated as the explicit decision variables and determined through the optimization model. Also, an implicit solution procedure is proposed to determine the optimum number of pollution sources which is an advantage of this model. The performance of the proposed model is evaluated on two hypothetical examples for simple and complex aquifer geometries, measurement error conditions, and different HS solution parameter sets. Identified results indicated that the proposed simulation-optimization model is an effective way and may be used to solve the inverse pollution source identification problems. Copyright (c) 2010 Elsevier B.V. All rights reserved.

On the Subgrid-Scale Modeling of Compressible Turbulence

NASA Technical Reports Server (NTRS)

Squires, Kyle; Zeman, Otto

1990-01-01

A new sub-grid scale model is presented for the large-eddy simulation of compressible turbulence. In the proposed model, compressibility contributions have been incorporated in the sub-grid scale eddy viscosity which, in the incompressible limit, reduce to a form originally proposed by Smagorinsky (1963). The model has been tested against a simple extension of the traditional Smagorinsky eddy viscosity model using simulations of decaying, compressible homogeneous turbulence. Simulation results show that the proposed model provides greater dissipation of the compressive modes of the resolved-scale velocity field than does the Smagorinsky eddy viscosity model. For an initial r.m.s. turbulence Mach number of 1.0, simulations performed using the Smagorinsky model become physically unrealizable (i.e., negative energies) because of the inability of the model to sufficiently dissipate fluctuations due to resolved scale velocity dilations. The proposed model is able to provide the necessary dissipation of this energy and maintain the realizability of the flow. Following Zeman (1990), turbulent shocklets are considered to dissipate energy independent of the Kolmogorov energy cascade. A possible parameterization of dissipation by turbulent shocklets for Large-Eddy Simulation is also presented.

Optimization of GATE and PHITS Monte Carlo code parameters for uniform scanning proton beam based on simulation with FLUKA general-purpose code

NASA Astrophysics Data System (ADS)

Kurosu, Keita; Takashina, Masaaki; Koizumi, Masahiko; Das, Indra J.; Moskvin, Vadim P.

2014-10-01

Although three general-purpose Monte Carlo (MC) simulation tools: Geant4, FLUKA and PHITS have been used extensively, differences in calculation results have been reported. The major causes are the implementation of the physical model, preset value of the ionization potential or definition of the maximum step size. In order to achieve artifact free MC simulation, an optimized parameters list for each simulation system is required. Several authors have already proposed the optimized lists, but those studies were performed with a simple system such as only a water phantom. Since particle beams have a transport, interaction and electromagnetic processes during beam delivery, establishment of an optimized parameters-list for whole beam delivery system is therefore of major importance. The purpose of this study was to determine the optimized parameters list for GATE and PHITS using proton treatment nozzle computational model. The simulation was performed with the broad scanning proton beam. The influences of the customizing parameters on the percentage depth dose (PDD) profile and the proton range were investigated by comparison with the result of FLUKA, and then the optimal parameters were determined. The PDD profile and the proton range obtained from our optimized parameters list showed different characteristics from the results obtained with simple system. This led to the conclusion that the physical model, particle transport mechanics and different geometry-based descriptions need accurate customization in planning computational experiments for artifact-free MC simulation.

Neural network computer simulation of medical aerosols.

PubMed

Richardson, C J; Barlow, D J

1996-06-01

Preliminary investigations have been conducted to assess the potential for using artificial neural networks to simulate aerosol behaviour, with a view to employing this type of methodology in the evaluation and design of pulmonary drug-delivery systems. Details are presented of the general purpose software developed for these tasks; it implements a feed-forward back-propagation algorithm with weight decay and connection pruning, the user having complete run-time control of the network architecture and mode of training. A series of exploratory investigations is then reported in which different network structures and training strategies are assessed in terms of their ability to simulate known patterns of fluid flow in simple model systems. The first of these involves simulations of cellular automata-generated data for fluid flow through a partially obstructed two-dimensional pipe. The artificial neural networks are shown to be highly successful in simulating the behaviour of this simple linear system, but with important provisos relating to the information content of the training data and the criteria used to judge when the network is properly trained. A second set of investigations is then reported in which similar networks are used to simulate patterns of fluid flow through aerosol generation devices, using training data furnished through rigorous computational fluid dynamics modelling. These more complex three-dimensional systems are modelled with equal success. It is concluded that carefully tailored, well trained networks could provide valuable tools not just for predicting but also for analysing the spatial dynamics of pharmaceutical aerosols.

Phase-field crystal modeling of heteroepitaxy and exotic modes of crystal nucleation

NASA Astrophysics Data System (ADS)

Podmaniczky, Frigyes; Tóth, Gyula I.; Tegze, György; Pusztai, Tamás; Gránásy, László

2017-01-01

We review recent advances made in modeling heteroepitaxy, two-step nucleation, and nucleation at the growth front within the framework of a simple dynamical density functional theory, the Phase-Field Crystal (PFC) model. The crystalline substrate is represented by spatially confined periodic potentials. We investigate the misfit dependence of the critical thickness in the StranskiKrastanov growth mode in isothermal studies. Apparently, the simulation results for stress release via the misfit dislocations fit better to the PeopleBean model than to the one by Matthews and Blakeslee. Next, we investigate structural aspects of two-step crystal nucleation at high undercoolings, where an amorphous precursor forms in the first stage. Finally, we present results for the formation of new grains at the solid-liquid interface at high supersaturations/supercoolings, a phenomenon termed Growth Front Nucleation (GFN). Results obtained with diffusive dynamics (applicable to colloids) and with a hydrodynamic extension of the PFC theory (HPFC, developed for simple liquids) will be compared. The HPFC simulations indicate two possible mechanisms for GFN.

Relationship between a solar drying model of red pepper and the kinetics of pure water evaporation (2)

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

Passamai, V.; Saravia, L.

1997-05-01

In part one, a simple drying model of red pepper related to water evaporation was developed. In this second part the drying model is applied by means of related experiments. Both laboratory and open air drying experiments were carried out to validate the model and simulation results are presented.

An assessment on convective and radiative heat transfer modelling in tubular solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Sánchez, D.; Muñoz, A.; Sánchez, T.

Four models of convective and radiative heat transfer inside tubular solid oxide fuel cells are presented in this paper, all of them applicable to multidimensional simulations. The work is aimed at assessing if it is necessary to use a very detailed and complicated model to simulate heat transfer inside this kind of device and, for those cases when simple models can be used, the errors are estimated and compared to those of the more complex models. For the convective heat transfer, two models are presented. One of them accounts for the variation of film coefficient as a function of local temperature and composition. This model gives a local value for the heat transfer coefficients and establishes the thermal entry length. The second model employs an average value of the transfer coefficient, which is applied to the whole length of the duct being studied. It is concluded that, unless there is a need to calculate local temperatures, a simple model can be used to evaluate the global performance of the cell with satisfactory accuracy. For the radiation heat transfer, two models are presented again. One of them considers radial radiation exclusively and, thus, radiative exchange between adjacent cells is neglected. On the other hand, the second model accounts for radiation in all directions but increases substantially the complexity of the problem. For this case, it is concluded that deviations between both models are higher than for convection. Actually, using a simple model can lead to a not negligible underestimation of the temperature of the cell.

Estimating linear temporal trends from aggregated environmental monitoring data

USGS Publications Warehouse

Erickson, Richard A.; Gray, Brian R.; Eager, Eric A.

2017-01-01

Trend estimates are often used as part of environmental monitoring programs. These trends inform managers (e.g., are desired species increasing or undesired species decreasing?). Data collected from environmental monitoring programs is often aggregated (i.e., averaged), which confounds sampling and process variation. State-space models allow sampling variation and process variations to be separated. We used simulated time-series to compare linear trend estimations from three state-space models, a simple linear regression model, and an auto-regressive model. We also compared the performance of these five models to estimate trends from a long term monitoring program. We specifically estimated trends for two species of fish and four species of aquatic vegetation from the Upper Mississippi River system. We found that the simple linear regression had the best performance of all the given models because it was best able to recover parameters and had consistent numerical convergence. Conversely, the simple linear regression did the worst job estimating populations in a given year. The state-space models did not estimate trends well, but estimated population sizes best when the models converged. We found that a simple linear regression performed better than more complex autoregression and state-space models when used to analyze aggregated environmental monitoring data.

Simple Process-Based Simulators for Generating Spatial Patterns of Habitat Loss and Fragmentation: A Review and Introduction to the G-RaFFe Model

PubMed Central

Pe'er, Guy; Zurita, Gustavo A.; Schober, Lucia; Bellocq, Maria I.; Strer, Maximilian; Müller, Michael; Pütz, Sandro

2013-01-01

Landscape simulators are widely applied in landscape ecology for generating landscape patterns. These models can be divided into two categories: pattern-based models that generate spatial patterns irrespective of the processes that shape them, and process-based models that attempt to generate patterns based on the processes that shape them. The latter often tend toward complexity in an attempt to obtain high predictive precision, but are rarely used for generic or theoretical purposes. Here we show that a simple process-based simulator can generate a variety of spatial patterns including realistic ones, typifying landscapes fragmented by anthropogenic activities. The model “G-RaFFe” generates roads and fields to reproduce the processes in which forests are converted into arable lands. For a selected level of habitat cover, three factors dominate its outcomes: the number of roads (accessibility), maximum field size (accounting for land ownership patterns), and maximum field disconnection (which enables field to be detached from roads). We compared the performance of G-RaFFe to three other models: Simmap (neutral model), Qrule (fractal-based) and Dinamica EGO (with 4 model versions differing in complexity). A PCA-based analysis indicated G-RaFFe and Dinamica version 4 (most complex) to perform best in matching realistic spatial patterns, but an alternative analysis which considers model variability identified G-RaFFe and Qrule as performing best. We also found model performance to be affected by habitat cover and the actual land-uses, the latter reflecting on land ownership patterns. We suggest that simple process-based generators such as G-RaFFe can be used to generate spatial patterns as templates for theoretical analyses, as well as for gaining better understanding of the relation between spatial processes and patterns. We suggest caution in applying neutral or fractal-based approaches, since spatial patterns that typify anthropogenic landscapes are often non-fractal in nature. PMID:23724108

Simple process-based simulators for generating spatial patterns of habitat loss and fragmentation: a review and introduction to the G-RaFFe model.

PubMed

Pe'er, Guy; Zurita, Gustavo A; Schober, Lucia; Bellocq, Maria I; Strer, Maximilian; Müller, Michael; Pütz, Sandro

2013-01-01

Landscape simulators are widely applied in landscape ecology for generating landscape patterns. These models can be divided into two categories: pattern-based models that generate spatial patterns irrespective of the processes that shape them, and process-based models that attempt to generate patterns based on the processes that shape them. The latter often tend toward complexity in an attempt to obtain high predictive precision, but are rarely used for generic or theoretical purposes. Here we show that a simple process-based simulator can generate a variety of spatial patterns including realistic ones, typifying landscapes fragmented by anthropogenic activities. The model "G-RaFFe" generates roads and fields to reproduce the processes in which forests are converted into arable lands. For a selected level of habitat cover, three factors dominate its outcomes: the number of roads (accessibility), maximum field size (accounting for land ownership patterns), and maximum field disconnection (which enables field to be detached from roads). We compared the performance of G-RaFFe to three other models: Simmap (neutral model), Qrule (fractal-based) and Dinamica EGO (with 4 model versions differing in complexity). A PCA-based analysis indicated G-RaFFe and Dinamica version 4 (most complex) to perform best in matching realistic spatial patterns, but an alternative analysis which considers model variability identified G-RaFFe and Qrule as performing best. We also found model performance to be affected by habitat cover and the actual land-uses, the latter reflecting on land ownership patterns. We suggest that simple process-based generators such as G-RaFFe can be used to generate spatial patterns as templates for theoretical analyses, as well as for gaining better understanding of the relation between spatial processes and patterns. We suggest caution in applying neutral or fractal-based approaches, since spatial patterns that typify anthropogenic landscapes are often non-fractal in nature.

And So It Grows: Using a Computer-Based Simulation of a Population Growth Model to Integrate Biology & Mathematics

ERIC Educational Resources Information Center

Street, Garrett M.; Laubach, Timothy A.

2013-01-01

We provide a 5E structured-inquiry lesson so that students can learn more of the mathematics behind the logistic model of population biology. By using models and mathematics, students understand how population dynamics can be influenced by relatively simple changes in the environment.

Prediction of Phyllosticta citricarpa using an hourly infection model and validation with prevalence data from South Africa and Australia

USDA-ARS?s Scientific Manuscript database

A simple hourly infection model was used for a risk assessment of citrus black spot (CBS) caused by Phyllosticta citricarpa. The infection model contained a temperature-moisture response function and also included functions to simulate ascospore release and dispersal of pycnidiospores. A validatio...

Ion and Electron Energization in Guide Field Reconnection Outflows with Kinetic Riemann Simulations and Parallel Shock Simulations

NASA Astrophysics Data System (ADS)

Zhang, Q.; Drake, J. F.; Swisdak, M.

2017-12-01

How ions and electrons are energized in magnetic reconnection outflows is an essential topic throughout the heliosphere. Here we carry out guide field PIC Riemann simulations to explore the ion and electron energization mechanisms far downstream of the x-line. Riemann simulations, with their simple magnetic geometry, facilitate the study of the reconnection outflow far downstream of the x-line in much more detail than is possible with conventional reconnection simulations. We find that the ions get accelerated at rotational discontinuities, counter stream, and give rise to two slow shocks. We demonstrate that the energization mechanism at the slow shocks is essentially the same as that of parallel electrostatic shocks. Also, the electron confining electric potential at the slow shocks is driven by the counterstreaming beams, which tend to break the quasi-neutrality. Based on this picture, we build a kinetic model to self consistently predict the downstream ion and electron temperatures. Additional explorations using parallel shock simulations also imply that in a very low beta(0.001 0.01 for a modest guide field) regime, electron energization will be insignificant compared to the ion energization. Our model and the parallel shock simulations might be used as simple tools to understand and estimate the energization of ions and electrons and the energy partition far downstream of the x-line.

Monte Carlo simulations of lattice models for single polymer systems

NASA Astrophysics Data System (ADS)

Hsu, Hsiao-Ping

2014-10-01

Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N ˜ O(10^4). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and sqrt{10}, we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior.

Dependence of tropical cyclone development on coriolis parameter: A theoretical model

NASA Astrophysics Data System (ADS)

Deng, Liyuan; Li, Tim; Bi, Mingyu; Liu, Jia; Peng, Melinda

2018-03-01

A simple theoretical model was formulated to investigate how tropical cyclone (TC) intensification depends on the Coriolis parameter. The theoretical framework includes a two-layer free atmosphere and an Ekman boundary layer at the bottom. The linkage between the free atmosphere and the boundary layer is through the Ekman pumping vertical velocity in proportion to the vorticity at the top of the boundary layer. The closure of this linear system assumes a simple relationship between the free atmosphere diabatic heating and the boundary layer moisture convergence. Under a set of realistic atmospheric parameter values, the model suggests that the most preferred latitude for TC development is around 5° without considering other factors. The theoretical result is confirmed by high-resolution WRF model simulations in a zero-mean flow and a constant SST environment on an f -plane with different Coriolis parameters. Given an initially balanced weak vortex, the TC-like vortex intensifies most rapidly at the reference latitude of 5°. Thus, the WRF model simulations confirm the f-dependent characteristics of TC intensification rate as suggested by the theoretical model.

A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations.

PubMed

Riniker, Sereina; van Gunsteren, Wilfred F

2011-02-28

The development of coarse-grained (CG) models that correctly represent the important features of compounds is essential to overcome the limitations in time scale and system size currently encountered in atomistic molecular dynamics simulations. Most approaches reported in the literature model one or several molecules into a single uncharged CG bead. For water, this implicit treatment of the electrostatic interactions, however, fails to mimic important properties, e.g., the dielectric screening. Therefore, a coarse-grained model for water is proposed which treats the electrostatic interactions between clusters of water molecules explicitly. Five water molecules are embedded in a spherical CG bead consisting of two oppositely charged particles which represent a dipole. The bond connecting the two particles in a bead is unconstrained, which makes the model polarizable. Experimental and all-atom simulated data of liquid water at room temperature are used for parametrization of the model. The experimental density and the relative static dielectric permittivity were chosen as primary target properties. The model properties are compared with those obtained from experiment, from clusters of simple-point-charge water molecules of appropriate size in the liquid phase, and for other CG water models if available. The comparison shows that not all atomistic properties can be reproduced by a CG model, so properties of key importance have to be selected when coarse graining is applied. Yet, the CG model reproduces the key characteristics of liquid water while being computationally 1-2 orders of magnitude more efficient than standard fine-grained atomistic water models.

Coherent vertical structures in numerical simulations of buoyant plumes from wildland fires

Treesearch

Philip Cunningham; Scott L. Goodrick; M. Yousuff Hussaini; Rodman R. Linn

2005-01-01

The structure and dynamics of buoyant plumes arising from surface-based heat sources in a vertically sheared ambient atmospheric flow are examined via simulations of a three-dimensional, compressible numerical model. Simple circular heat sources and asymmetric elliptical ring heat sources that are representative of wildland fires of moderate intensity are considered....

The Library and Human Memory Simulation Studies. Reports on File Organization Studies.

ERIC Educational Resources Information Center

Reilly, Kevin D.

This report describes digital computer simulation efforts in a study of memory systems for two important cases: that of the individual the brain; and that of society, the library. A neural system model is presented in which a complex system is produced by connecting simple hypothetical neurons whose states change under application of a…

Direct identification of predator-prey dynamics in gyrokinetic simulations

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

Kobayashi, Sumire, E-mail: sumire.kobayashi@lpp.polytechnique.fr; Gürcan, Özgür D; Diamond, Patrick H.

2015-09-15

The interaction between spontaneously formed zonal flows and small-scale turbulence in nonlinear gyrokinetic simulations is explored in a shearless closed field line geometry. It is found that when clear limit cycle oscillations prevail, the observed turbulent dynamics can be quantitatively captured by a simple Lotka-Volterra type predator-prey model. Fitting the time traces of full gyrokinetic simulations by such a reduced model allows extraction of the model coefficients. Scanning physical plasma parameters, such as collisionality and density gradient, it was observed that the effective growth rates of turbulence (i.e., the prey) remain roughly constant, in spite of the higher and varyingmore » level of primary mode linear growth rates. The effective growth rate that was extracted corresponds roughly to the zonal-flow-modified primary mode growth rate. It was also observed that the effective damping of zonal flows (i.e., the predator) in the parameter range, where clear predator-prey dynamics is observed, (i.e., near marginal stability) agrees with the collisional damping expected in these simulations. This implies that the Kelvin-Helmholtz-like instability may be negligible in this range. The results imply that when the tertiary instability plays a role, the dynamics becomes more complex than a simple Lotka-Volterra predator prey.« less

Propagation of uncertainty in nasal spray in vitro performance models using Monte Carlo simulation: Part II. Error propagation during product performance modeling.

PubMed

Guo, Changning; Doub, William H; Kauffman, John F

2010-08-01

Monte Carlo simulations were applied to investigate the propagation of uncertainty in both input variables and response measurements on model prediction for nasal spray product performance design of experiment (DOE) models in the first part of this study, with an initial assumption that the models perfectly represent the relationship between input variables and the measured responses. In this article, we discard the initial assumption, and extended the Monte Carlo simulation study to examine the influence of both input variable variation and product performance measurement variation on the uncertainty in DOE model coefficients. The Monte Carlo simulations presented in this article illustrate the importance of careful error propagation during product performance modeling. Our results show that the error estimates based on Monte Carlo simulation result in smaller model coefficient standard deviations than those from regression methods. This suggests that the estimated standard deviations from regression may overestimate the uncertainties in the model coefficients. Monte Carlo simulations provide a simple software solution to understand the propagation of uncertainty in complex DOE models so that design space can be specified with statistically meaningful confidence levels. (c) 2010 Wiley-Liss, Inc. and the American Pharmacists Association

Surrogates for numerical simulations; optimization of eddy-promoter heat exchangers

NASA Technical Reports Server (NTRS)

Patera, Anthony T.; Patera, Anthony

1993-01-01

Although the advent of fast and inexpensive parallel computers has rendered numerous previously intractable calculations feasible, many numerical simulations remain too resource-intensive to be directly inserted in engineering optimization efforts. An attractive alternative to direct insertion considers models for computational systems: the expensive simulation is evoked only to construct and validate a simplified, input-output model; this simplified input-output model then serves as a simulation surrogate in subsequent engineering optimization studies. A simple 'Bayesian-validated' statistical framework for the construction, validation, and purposive application of static computer simulation surrogates is presented. As an example, dissipation-transport optimization of laminar-flow eddy-promoter heat exchangers are considered: parallel spectral element Navier-Stokes calculations serve to construct and validate surrogates for the flowrate and Nusselt number; these surrogates then represent the originating Navier-Stokes equations in the ensuing design process.

Prototyping and Simulation of Robot Group Intelligence using Kohonen Networks.

PubMed

Wang, Zhijun; Mirdamadi, Reza; Wang, Qing

2016-01-01

Intelligent agents such as robots can form ad hoc networks and replace human being in many dangerous scenarios such as a complicated disaster relief site. This project prototypes and builds a computer simulator to simulate robot kinetics, unsupervised learning using Kohonen networks, as well as group intelligence when an ad hoc network is formed. Each robot is modeled using an object with a simple set of attributes and methods that define its internal states and possible actions it may take under certain circumstances. As the result, simple, reliable, and affordable robots can be deployed to form the network. The simulator simulates a group of robots as an unsupervised learning unit and tests the learning results under scenarios with different complexities. The simulation results show that a group of robots could demonstrate highly collaborative behavior on a complex terrain. This study could potentially provide a software simulation platform for testing individual and group capability of robots before the design process and manufacturing of robots. Therefore, results of the project have the potential to reduce the cost and improve the efficiency of robot design and building.

Prototyping and Simulation of Robot Group Intelligence using Kohonen Networks

PubMed Central

Wang, Zhijun; Mirdamadi, Reza; Wang, Qing

2016-01-01

Intelligent agents such as robots can form ad hoc networks and replace human being in many dangerous scenarios such as a complicated disaster relief site. This project prototypes and builds a computer simulator to simulate robot kinetics, unsupervised learning using Kohonen networks, as well as group intelligence when an ad hoc network is formed. Each robot is modeled using an object with a simple set of attributes and methods that define its internal states and possible actions it may take under certain circumstances. As the result, simple, reliable, and affordable robots can be deployed to form the network. The simulator simulates a group of robots as an unsupervised learning unit and tests the learning results under scenarios with different complexities. The simulation results show that a group of robots could demonstrate highly collaborative behavior on a complex terrain. This study could potentially provide a software simulation platform for testing individual and group capability of robots before the design process and manufacturing of robots. Therefore, results of the project have the potential to reduce the cost and improve the efficiency of robot design and building. PMID:28540284

Application Note: Power Grid Modeling With Xyce.

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

Sholander, Peter E.

This application note describes how to model steady-state power flows and transient events in electric power grids with the SPICE-compatible Xyce TM Parallel Electronic Simulator developed at Sandia National Labs. This application notes provides a brief tutorial on the basic devices (branches, bus shunts, transformers and generators) found in power grids. The focus is on the features supported and assumptions made by the Xyce models for power grid elements. It then provides a detailed explanation, including working Xyce netlists, for simulating some simple power grid examples such as the IEEE 14-bus test case.

Ground and Range Operations for a Heavy-Lift Vehicle: Preliminary Thoughts

NASA Technical Reports Server (NTRS)

Rabelo, Luis; Zhu, Yanshen; Compton, Jeppie; Bardina, Jorge

2011-01-01

This paper discusses the ground and range operations for a Shuttle derived Heavy-Lift Vehicle being launched from the Kennedy Space Center on the Eastern range. Comparisons will be made between the Shuttle and a heavy lift configuration (SLS-ETF MPCV April 2011) by contrasting their subsystems. The analysis will also describe a simulation configuration with the potential to be utilized for heavy lift vehicle processing/range simulation modeling and the development of decision-making systems utilized by the range. In addition, a simple simulation model is used to provide the required critical thinking foundations for this preliminary analysis.

Generating self-organizing collective behavior using separation dynamics from experimental data

NASA Astrophysics Data System (ADS)

Dieck Kattas, Graciano; Xu, Xiao-Ke; Small, Michael

2012-09-01

Mathematical models for systems of interacting agents using simple local rules have been proposed and shown to exhibit emergent swarming behavior. Most of these models are constructed by intuition or manual observations of real phenomena, and later tuned or verified to simulate desired dynamics. In contrast to this approach, we propose using a model that attempts to follow an averaged rule of the essential distance-dependent collective behavior of real pigeon flocks, which was abstracted from experimental data. By using a simple model to follow the behavioral tendencies of real data, we show that our model can exhibit a wide range of emergent self-organizing dynamics such as flocking, pattern formation, and counter-rotating vortices.

Generating self-organizing collective behavior using separation dynamics from experimental data.

PubMed

Dieck Kattas, Graciano; Xu, Xiao-Ke; Small, Michael

2012-09-01

Mathematical models for systems of interacting agents using simple local rules have been proposed and shown to exhibit emergent swarming behavior. Most of these models are constructed by intuition or manual observations of real phenomena, and later tuned or verified to simulate desired dynamics. In contrast to this approach, we propose using a model that attempts to follow an averaged rule of the essential distance-dependent collective behavior of real pigeon flocks, which was abstracted from experimental data. By using a simple model to follow the behavioral tendencies of real data, we show that our model can exhibit a wide range of emergent self-organizing dynamics such as flocking, pattern formation, and counter-rotating vortices.

Trending in Probability of Collision Measurements

NASA Technical Reports Server (NTRS)

Vallejo, J. J.; Hejduk, M. D.; Stamey, J. D.

2015-01-01

A simple model is proposed to predict the behavior of Probabilities of Collision (P(sub c)) for conjunction events. The model attempts to predict the location and magnitude of the peak P(sub c) value for an event by assuming the progression of P(sub c) values can be modeled to first order by a downward-opening parabola. To incorporate prior information from a large database of past conjunctions, the Bayes paradigm is utilized; and the operating characteristics of the model are established through a large simulation study. Though the model is simple, it performs well in predicting the temporal location of the peak (P(sub c)) and thus shows promise as a decision aid in operational conjunction assessment risk analysis.

Analytic expressions for the black-sky and white-sky albedos of the cosine lobe model.

PubMed

Goodin, Christopher

2013-05-01

The cosine lobe model is a bidirectional reflectance distribution function (BRDF) that is commonly used in computer graphics to model specular reflections. The model is both simple and physically plausible, but physical quantities such as albedo have not been related to the parameterization of the model. In this paper, analytic expressions for calculating the black-sky and white-sky albedos from the cosine lobe BRDF model with integer exponents will be derived, to the author's knowledge for the first time. These expressions for albedo can be used to place constraints on physics-based simulations of radiative transfer such as high-fidelity ray-tracing simulations.

A non-coaxial critical state soil model and its application to simple shear simulations

NASA Astrophysics Data System (ADS)

Yang, Yunming; Yu, H. S.

2006-11-01

The yield vertex non-coaxial theory is implemented into a critical state soil model, CASM (Int. J. Numer. Anal. Meth. Geomech. 1998; 22:621-653) to investigate the non-coaxial influences on the stress-strain simulations of real soil behaviour in the presence of principal stress rotations. The CASM is a unified clay and sand model, developed based on the soil critical state concept and the state parameter concept. Without loss of simplicity, it is capable of simulating the behaviour of sands and clays within a wide range of densities. The non-coaxial CASM is employed to simulate the simple shear responses of Erksak sand and Weald clay under different densities and initial stress states. Dependence of the soil behaviour on the Lode angle and different plastic flow rules in the deviatoric plane are also considered in the study of non-coaxial influences. All the predictions indicate that the use of the non-coaxial model makes the orientations of the principal stress and the principal strain rate different during the early stage of shearing, and they approach the same ultimate values with an increase in loading. These ultimate orientations are dependent on the density of soils, and independent of their initial stress states. The use of the non-coaxial model also softens the shear stress evolutions, compared with the coaxial model. It is also found that the ultimate shear strengths by using the coaxial and non-coaxial models are dependent on the plastic flow rules in the deviatoric plane. Copyright

Simulated breeding with QU-GENE graphical user interface.

PubMed

Hathorn, Adrian; Chapman, Scott; Dieters, Mark

2014-01-01

Comparing the efficiencies of breeding methods with field experiments is a costly, long-term process. QU-GENE is a highly flexible genetic and breeding simulation platform capable of simulating the performance of a range of different breeding strategies and for a continuum of genetic models ranging from simple to complex. In this chapter we describe some of the basic mechanics behind the QU-GENE user interface and give a simplified example of how it works.

Design and implementation of a simple nuclear power plant simulator

NASA Astrophysics Data System (ADS)

Miller, William H.

1983-02-01

A simple PWR nuclear power plant simulator has been designed and implemented on a minicomputer system. The system is intended for students use in understanding the power operation of a nuclear power plant. A PDP-11 minicomputer calculates reactor parameters in real time, uses a graphics terminal to display the results and a keyboard and joystick for control functions. Plant parameters calculated by the model include the core reactivity (based upon control rod positions, soluble boron concentration and reactivity feedback effects), the total core power, the axial core power distribution, the temperature and pressure in the primary and secondary coolant loops, etc.

Turbulence modeling in simulation of gas-turbine flow and heat transfer.

PubMed

Brereton, G; Shih, T I

2001-05-01

The popular k-epsilon type two-equation turbulence models, which are calibrated by experimental data from simple shear flows, are analyzed for their ability to predict flows involving shear and an extra strain--flow with shear and rotation and flow with shear and streamline curvature. The analysis is based on comparisons between model predictions and those from measurements and large-eddy simulations of homogenous flows involving shear and an extra strain, either from rotation or from streamline curvature. Parameters are identified, which show the conditions under which performance of k-epsilon type models can be expected to be poor.

An Evaluation of the High Level Architecture (HLA) as a Framework for NASA Modeling and Simulation

NASA Technical Reports Server (NTRS)

Reid, Michael R.; Powers, Edward I. (Technical Monitor)

2000-01-01

The High Level Architecture (HLA) is a current US Department of Defense and an industry (IEEE-1516) standard architecture for modeling and simulations. It provides a framework and set of functional rules and common interfaces for integrating separate and disparate simulators into a larger simulation. The goal of the HLA is to reduce software costs by facilitating the reuse of simulation components and by providing a runtime infrastructure to manage the simulations. In order to evaluate the applicability of the HLA as a technology for NASA space mission simulations, a Simulations Group at Goddard Space Flight Center (GSFC) conducted a study of the HLA and developed a simple prototype HLA-compliant space mission simulator. This paper summarizes the prototyping effort and discusses the potential usefulness of the HLA in the design and planning of future NASA space missions with a focus on risk mitigation and cost reduction.

Hemodynamics model of fluid–solid interaction in internal carotid artery aneurysms

PubMed Central

Fu-Yu, Wang; Lei, Liu; Xiao-Jun, Zhang; Hai-Yue, Ju

2010-01-01

The objective of this study is to present a relatively simple method to reconstruct cerebral aneurysms as 3D numerical grids. The method accurately duplicates the geometry to provide computer simulations of the blood flow. Initial images were obtained by using CT angiography and 3D digital subtraction angiography in DICOM format. The image was processed by using MIMICS software, and the 3D fluid model (blood flow) and 3D solid model (wall) were generated. The subsequent output was exported to the ANSYS workbench software to generate the volumetric mesh for further hemodynamic study. The fluid model was defined and simulated in CFX software while the solid model was calculated in ANSYS software. The force data calculated firstly in the CFX software were transferred to the ANSYS software, and after receiving the force data, total mesh displacement data were calculated in the ANSYS software. Then, the mesh displacement data were transferred back to the CFX software. The data exchange was processed in workbench software. The results of simulation could be visualized in CFX-post. Two examples of grid reconstruction and blood flow simulation for patients with internal carotid artery aneurysms were presented. The wall shear stress, wall total pressure, and von Mises stress could be visualized. This method seems to be relatively simple and suitable for direct use by neurosurgeons or neuroradiologists, and maybe a practical tool for planning treatment and follow-up of patients after neurosurgical or endovascular interventions with 3D angiography. PMID:20812022

Hemodynamics model of fluid-solid interaction in internal carotid artery aneurysms.

PubMed

Bai-Nan, Xu; Fu-Yu, Wang; Lei, Liu; Xiao-Jun, Zhang; Hai-Yue, Ju

2011-01-01

The objective of this study is to present a relatively simple method to reconstruct cerebral aneurysms as 3D numerical grids. The method accurately duplicates the geometry to provide computer simulations of the blood flow. Initial images were obtained by using CT angiography and 3D digital subtraction angiography in DICOM format. The image was processed by using MIMICS software, and the 3D fluid model (blood flow) and 3D solid model (wall) were generated. The subsequent output was exported to the ANSYS workbench software to generate the volumetric mesh for further hemodynamic study. The fluid model was defined and simulated in CFX software while the solid model was calculated in ANSYS software. The force data calculated firstly in the CFX software were transferred to the ANSYS software, and after receiving the force data, total mesh displacement data were calculated in the ANSYS software. Then, the mesh displacement data were transferred back to the CFX software. The data exchange was processed in workbench software. The results of simulation could be visualized in CFX-post. Two examples of grid reconstruction and blood flow simulation for patients with internal carotid artery aneurysms were presented. The wall shear stress, wall total pressure, and von Mises stress could be visualized. This method seems to be relatively simple and suitable for direct use by neurosurgeons or neuroradiologists, and maybe a practical tool for planning treatment and follow-up of patients after neurosurgical or endovascular interventions with 3D angiography.

Modeling the electrophoretic separation of short biological molecules in nanofluidic devices

NASA Astrophysics Data System (ADS)

Fayad, Ghassan; Hadjiconstantinou, Nicolas

2010-11-01

Via comparisons with Brownian Dynamics simulations of the worm-like-chain and rigid-rod models, and the experimental results of Fu et al. [Phys. Rev. Lett., 97, 018103 (2006)], we demonstrate that, for the purposes of low-to-medium field electrophoretic separation in periodic nanofilter arrays, sufficiently short biomolecules can be modeled as point particles, with their orientational degrees of freedom accounted for using partition coefficients. This observation is used in the present work to build a particularly simple and efficient Brownian Dynamics simulation method. Particular attention is paid to the model's ability to quantitatively capture experimental results using realistic values of all physical parameters. A variance-reduction method is developed for efficiently simulating arbitrarily small forcing electric fields.

Progress Towards Achieving the Challenge of Indian Summer Monsoon Climate Simulation in a Coupled Ocean-Atmosphere Model

NASA Astrophysics Data System (ADS)

Hazra, Anupam; Chaudhari, Hemantkumar S.; Saha, Subodh Kumar; Pokhrel, Samir; Goswami, B. N.

2017-10-01

Simulation of the spatial and temporal structure of the monsoon intraseasonal oscillations (MISOs), which have effects on the seasonal mean and annual cycle of Indian summer monsoon (ISM) rainfall, remains a grand challenge for the state-of-the-art global coupled models. Biases in simulation of the amplitude and northward propagation of MISOs and related dry rainfall bias over ISM region in climate models are limiting the current skill of monsoon prediction. Recent observations indicate that the convective microphysics of clouds may be critical in simulating the observed MISOs. The hypothesis is strongly supported by high fidelity in simulation of the amplitude and space-time spectra of MISO by a coupled climate model, when our physically based modified cloud microphysics scheme is implemented in conjunction with a modified new Simple Arakawa Schubert (nSAS) convective parameterization scheme. Improved simulation of MISOs appears to have been aided by much improved simulation of the observed high cloud fraction and convective to stratiform rain fractions and resulted into a much improved simulation of the ISM rainfall, monsoon onset, and the annual cycle.

Domain Motion Enhanced (DoME) Model for Efficient Conformational Sampling of Multidomain Proteins.

PubMed

Kobayashi, Chigusa; Matsunaga, Yasuhiro; Koike, Ryotaro; Ota, Motonori; Sugita, Yuji

2015-11-19

Large conformational changes of multidomain proteins are difficult to simulate using all-atom molecular dynamics (MD) due to the slow time scale. We show that a simple modification of the structure-based coarse-grained (CG) model enables a stable and efficient MD simulation of those proteins. "Motion Tree", a tree diagram that describes conformational changes between two structures in a protein, provides information on rigid structural units (domains) and the magnitudes of domain motions. In our new CG model, which we call the DoME (domain motion enhanced) model, interdomain interactions are defined as being inversely proportional to the magnitude of the domain motions in the diagram, whereas intradomain interactions are kept constant. We applied the DoME model in combination with the Go model to simulations of adenylate kinase (AdK). The results of the DoME-Go simulation are consistent with an all-atom MD simulation for 10 μs as well as known experimental data. Unlike the conventional Go model, the DoME-Go model yields stable simulation trajectories against temperature changes and conformational transitions are easily sampled despite domain rigidity. Evidently, identification of domains and their interfaces is useful approach for CG modeling of multidomain proteins.

Experimental Validation of Lightning-Induced Electromagnetic (Indirect) Coupling to Short Monopole Antennas

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

Crull, E W; Brown Jr., C G; Perkins, M P

2008-07-30

For short monopoles in this low-power case, it has been shown that a simple circuit model is capable of accurate predictions for the shape and magnitude of the antenna response to lightning-generated electric field coupling effects, provided that the elements of the circuit model have accurate values. Numerical EM simulation can be used to provide more accurate values for the circuit elements than the simple analytical formulas, since the analytical formulas are used outside of their region of validity. However, even with the approximate analytical formulas the simple circuit model produces reasonable results, which would improve if more accurate analyticalmore » models were used. This report discusses the coupling analysis approaches taken to understand the interaction between a time-varying EM field and a short monopole antenna, within the context of lightning safety for nuclear weapons at DOE facilities. It describes the validation of a simple circuit model using laboratory study in order to understand the indirect coupling of energy into a part, and the resulting voltage. Results show that in this low-power case, the circuit model predicts peak voltages within approximately 32% using circuit component values obtained from analytical formulas and about 13% using circuit component values obtained from numerical EM simulation. We note that the analytical formulas are used outside of their region of validity. First, the antenna is insulated and not a bare wire and there are perhaps fringing field effects near the termination of the outer conductor that the formula does not take into account. Also, the effective height formula is for a monopole directly over a ground plane, while in the time-domain measurement setup the monopole is elevated above the ground plane by about 1.5-inch (refer to Figure 5).« less

Derivation of flood frequency curves in poorly gauged Mediterranean catchments using a simple stochastic hydrological rainfall-runoff model

NASA Astrophysics Data System (ADS)

Aronica, G. T.; Candela, A.

2007-12-01

SummaryIn this paper a Monte Carlo procedure for deriving frequency distributions of peak flows using a semi-distributed stochastic rainfall-runoff model is presented. The rainfall-runoff model here used is very simple one, with a limited number of parameters and practically does not require any calibration, resulting in a robust tool for those catchments which are partially or poorly gauged. The procedure is based on three modules: a stochastic rainfall generator module, a hydrologic loss module and a flood routing module. In the rainfall generator module the rainfall storm, i.e. the maximum rainfall depth for a fixed duration, is assumed to follow the two components extreme value (TCEV) distribution whose parameters have been estimated at regional scale for Sicily. The catchment response has been modelled by using the Soil Conservation Service-Curve Number (SCS-CN) method, in a semi-distributed form, for the transformation of total rainfall to effective rainfall and simple form of IUH for the flood routing. Here, SCS-CN method is implemented in probabilistic form with respect to prior-to-storm conditions, allowing to relax the classical iso-frequency assumption between rainfall and peak flow. The procedure is tested on six practical case studies where synthetic FFC (flood frequency curve) were obtained starting from model variables distributions by simulating 5000 flood events combining 5000 values of total rainfall depth for the storm duration and AMC (antecedent moisture conditions) conditions. The application of this procedure showed how Monte Carlo simulation technique can reproduce the observed flood frequency curves with reasonable accuracy over a wide range of return periods using a simple and parsimonious approach, limited data input and without any calibration of the rainfall-runoff model.

A simple spatiotemporal rabies model for skunk and bat interaction in northeast Texas.

PubMed

Borchering, Rebecca K; Liu, Hao; Steinhaus, Mara C; Gardner, Carl L; Kuang, Yang

2012-12-07

We formulate a simple partial differential equation model in an effort to qualitatively reproduce the spread dynamics and spatial pattern of rabies in northeast Texas with overlapping reservoir species (skunks and bats). Most existing models ignore reservoir species or model them with patchy models by ordinary differential equations. In our model, we incorporate interspecies rabies infection in addition to rabid population random movement. We apply this model to the confirmed case data from northeast Texas with most parameter values obtained or computed from the literature. Results of simulations using both our skunk-only model and our skunk and bat model demonstrate that the model with overlapping reservoir species more accurately reproduces the progression of rabies spread in northeast Texas. Copyright © 2012 Elsevier Ltd. All rights reserved.

A computer model of context-dependent perception in a very simple world

NASA Astrophysics Data System (ADS)

Lara-Dammer, Francisco; Hofstadter, Douglas R.; Goldstone, Robert L.

2017-11-01

We propose the foundations of a computer model of scientific discovery that takes into account certain psychological aspects of human observation of the world. To this end, we simulate two main components of such a system. The first is a dynamic microworld in which physical events take place, and the second is an observer that visually perceives entities and events in the microworld. For reason of space, this paper focuses only on the starting phase of discovery, which is the relatively simple visual inputs of objects and collisions.

Application of simple negative feedback model for avalanche photodetectors investigation

NASA Astrophysics Data System (ADS)

Kushpil, V. V.

2009-10-01

A simple negative feedback model based on Miller's formula is used to investigate the properties of Avalanche Photodetectors (APDs). The proposed method can be applied to study classical APD as well as new type of devices, which are operating in the Internal Negative Feedback (INF) regime. The method shows a good sensitivity to technological APD parameters making it possible to use it as a tool to analyse various APD parameters. It also allows better understanding of the APD operation conditions. The simulations and experimental data analysis for different types of APDs are presented.

A simple phenomenological model for grain clustering in turbulence

NASA Astrophysics Data System (ADS)

Hopkins, Philip F.

2016-01-01

We propose a simple model for density fluctuations of aerodynamic grains, embedded in a turbulent, gravitating gas disc. The model combines a calculation for the behaviour of a group of grains encountering a single turbulent eddy, with a hierarchical approximation of the eddy statistics. This makes analytic predictions for a range of quantities including: distributions of grain densities, power spectra and correlation functions of fluctuations, and maximum grain densities reached. We predict how these scale as a function of grain drag time ts, spatial scale, grain-to-gas mass ratio tilde{ρ }, strength of turbulence α, and detailed disc properties. We test these against numerical simulations with various turbulence-driving mechanisms. The simulations agree well with the predictions, spanning ts Ω ˜ 10-4-10, tilde{ρ }˜ 0{-}3, α ˜ 10-10-10-2. Results from `turbulent concentration' simulations and laboratory experiments are also predicted as a special case. Vortices on a wide range of scales disperse and concentrate grains hierarchically. For small grains this is most efficient in eddies with turnover time comparable to the stopping time, but fluctuations are also damped by local gas-grain drift. For large grains, shear and gravity lead to a much broader range of eddy scales driving fluctuations, with most power on the largest scales. The grain density distribution has a log-Poisson shape, with fluctuations for large grains up to factors ≳1000. We provide simple analytic expressions for the predictions, and discuss implications for planetesimal formation, grain growth, and the structure of turbulence.

Integration of Linear Dynamic Emission and Climate Models with Air Traffic Simulations

NASA Technical Reports Server (NTRS)

Sridhar, Banavar; Ng, Hok K.; Chen, Neil Y.

2012-01-01

Future air traffic management systems are required to balance the conflicting objectives of maximizing safety and efficiency of traffic flows while minimizing the climate impact of aviation emissions and contrails. Integrating emission and climate models together with air traffic simulations improve the understanding of the complex interaction between the physical climate system, carbon and other greenhouse gas emissions and aviation activity. This paper integrates a national-level air traffic simulation and optimization capability with simple climate models and carbon cycle models, and climate metrics to assess the impact of aviation on climate. The capability can be used to make trade-offs between extra fuel cost and reduction in global surface temperature change. The parameters in the simulation can be used to evaluate the effect of various uncertainties in emission models and contrails and the impact of different decision horizons. Alternatively, the optimization results from the simulation can be used as inputs to other tools that monetize global climate impacts like the FAA s Aviation Environmental Portfolio Management Tool for Impacts.

Implementing ADM1 for plant-wide benchmark simulations in Matlab/Simulink.

PubMed

Rosen, C; Vrecko, D; Gernaey, K V; Pons, M N; Jeppsson, U

2006-01-01

The IWA Anaerobic Digestion Model No.1 (ADM1) was presented in 2002 and is expected to represent the state-of-the-art model within this field in the future. Due to its complexity the implementation of the model is not a simple task and several computational aspects need to be considered, in particular if the ADM1 is to be included in dynamic simulations of plant-wide or even integrated systems. In this paper, the experiences gained from a Matlab/Simulink implementation of ADM1 into the extended COST/IWA Benchmark Simulation Model (BSM2) are presented. Aspects related to system stiffness, model interfacing with the ASM family, mass balances, acid-base equilibrium and algebraic solvers for pH and other troublesome state variables, numerical solvers and simulation time are discussed. The main conclusion is that if implemented properly, the ADM1 will also produce high-quality results in dynamic plant-wide simulations including noise, discrete sub-systems, etc. without imposing any major restrictions due to extensive computational efforts.

Stochastic summation of empirical Green's functions

USGS Publications Warehouse

Wennerberg, Leif

1990-01-01

Two simple strategies are presented that use random delay times for repeatedly summing the record of a relatively small earthquake to simulate the effects of a larger earthquake. The simulations do not assume any fault plane geometry or rupture dynamics, but realy only on the ω−2 spectral model of an earthquake source and elementary notions of source complexity. The strategies simulate ground motions for all frequencies within the bandwidth of the record of the event used as a summand. The first strategy, which introduces the basic ideas, is a single-stage procedure that consists of simply adding many small events with random time delays. The probability distribution for delays has the property that its amplitude spectrum is determined by the ratio of ω−2 spectra, and its phase spectrum is identically zero. A simple expression is given for the computation of this zero-phase scaling distribution. The moment rate function resulting from the single-stage simulation is quite simple and hence is probably not realistic for high-frequency (>1 Hz) ground motion of events larger than ML∼ 4.5 to 5. The second strategy is a two-stage summation that simulates source complexity with a few random subevent delays determined using the zero-phase scaling distribution, and then clusters energy around these delays to get an ω−2 spectrum for the sum. Thus, the two-stage strategy allows simulations of complex events of any size for which the ω−2 spectral model applies. Interestingly, a single-stage simulation with too few ω−2records to get a good fit to an ω−2 large-event target spectrum yields a record whose spectral asymptotes are consistent with the ω−2 model, but that includes a region in its spectrum between the corner frequencies of the larger and smaller events reasonably approximated by a power law trend. This spectral feature has also been discussed as reflecting the process of partial stress release (Brune, 1970), an asperity failure (Boatwright, 1984), or the breakdown of ω−2 scaling due to rupture significantly longer than the width of the seismogenic zone (Joyner, 1984).

A model to assess the feasibility of shifting reaction equilibrium by acetone removal in the transamination of ketones using 2-propylamine.

PubMed

Tufvesson, Pär; Bach, Christian; Woodley, John M

2014-02-01

Acetone removal by evaporation has been proposed as a simple and cheap way to shift the equilibrium in the biocatalytic asymmetric synthesis of optically pure chiral amines, when 2-propylamine is used as the amine donor. However, dependent on the system properties, this may or may not be a suitable strategy. To avoid excessive laboratory work a model was used to assess the process feasibility. The results from the current study show that a simple model of the acetone removal dependence on temperature and sparging gas flowrate can be developed and fits the experimental data well. The model for acetone removal was then coupled to a simple model for biocatalyst kinetics and also for loss of substrate ketone by evaporation. The three models were used to simulate the effects of varying the critical process parameters and reaction equilibrium constants (K eq) as well as different substrate ketone volatilities (Henry's constant). The simulations were used to estimate the substrate losses and also the maximum yield that could be expected. The approach was seen to give a clear indication for which target amines the acetone evaporation strategy would be feasible and for which amines it would not. The study also shows the value of a modeling approach in conceptual process design prior to entering a biocatalyst screening or engineering program to assess the feasibility of a particular process strategy for a given target product. © 2013 Wiley Periodicals, Inc.

A computer simulation of aircraft evacuation with fire

NASA Technical Reports Server (NTRS)

Middleton, V. E.

1983-01-01

A computer simulation was developed to assess passenger survival during the post-crash evacuation of a transport category aircraft when fire is a major threat. The computer code, FIREVAC, computes individual passenger exit paths and times to exit, taking into account delays and congestion caused by the interaction among the passengers and changing cabin conditions. Simple models for the physiological effects of the toxic cabin atmosphere are included with provision for including more sophisticated models as they become available. Both wide-body and standard-body aircraft may be simulated. Passenger characteristics are assigned stochastically from experimentally derived distributions. Results of simulations of evacuation trials and hypothetical evacuations under fire conditions are presented.

Physics-based interactive volume manipulation for sharing surgical process.

PubMed

Nakao, Megumi; Minato, Kotaro

2010-05-01

This paper presents a new set of techniques by which surgeons can interactively manipulate patient-specific volumetric models for sharing surgical process. To handle physical interaction between the surgical tools and organs, we propose a simple surface-constraint-based manipulation algorithm to consistently simulate common surgical manipulations such as grasping, holding and retraction. Our computation model is capable of simulating soft-tissue deformation and incision in real time. We also present visualization techniques in order to rapidly visualize time-varying, volumetric information on the deformed image. This paper demonstrates the success of the proposed methods in enabling the simulation of surgical processes, and the ways in which this simulation facilitates preoperative planning and rehearsal.

Exploring simulated early star formation in the context of the ultrafaint dwarf galaxies

NASA Astrophysics Data System (ADS)

Corlies, Lauren; Johnston, Kathryn V.; Wise, John H.

2018-04-01

Ultrafaint dwarf galaxies (UFDs) are typically assumed to have simple, stellar populations with star formation ending at reionization. Yet as the observations of these galaxies continue to improve, their star formation histories (SFHs) are revealed to be more complicated than previously thought. In this paper, we study how star formation, chemical enrichment, and mixing proceed in small, dark matter haloes at early times using a high-resolution, cosmological, hydrodynamical simulation. The goals are to inform the future use of analytic models and to explore observable properties of the simulated haloes in the context of UFD data. Specifically, we look at analytic approaches that might inform metal enrichment within and beyond small galaxies in the early Universe. We find that simple assumptions for modelling the extent of supernova-driven winds agree with the simulation on average, whereas inhomogeneous mixing and gas flows have a large effect on the spread in simulated stellar metallicities. In the context of the UFDs, this work demonstrates that simulations can form haloes with a complex SFH and a large spread in the metallicity distribution function within a few hundred Myr in the early Universe. In particular, bursty and continuous star formation are seen in the simulation and both scenarios have been argued from the data. Spreads in the simulated metallicities, however, remain too narrow and too metal-rich when compared to the UFDs. Future work is needed to help reduce these discrepancies and advance our interpretation of the data.

Real-Time Climate Simulations in the Interactive 3D Game Universe Sandbox ²

NASA Astrophysics Data System (ADS)

Goldenson, N. L.

2014-12-01

Exploration in an open-ended computer game is an engaging way to explore climate and climate change. Everyone can explore physical models with real-time visualization in the educational simulator Universe Sandbox ² (universesandbox.com/2), which includes basic climate simulations on planets. I have implemented a time-dependent, one-dimensional meridional heat transport energy balance model to run and be adjustable in real time in the midst of a larger simulated system. Universe Sandbox ² is based on the original game - at its core a gravity simulator - with other new physically-based content for stellar evolution, and handling collisions between bodies. Existing users are mostly science enthusiasts in informal settings. We believe that this is the first climate simulation to be implemented in a professionally developed computer game with modern 3D graphical output in real time. The type of simple climate model we've adopted helps us depict the seasonal cycle and the more drastic changes that come from changing the orbit or other external forcings. Users can alter the climate as the simulation is running by altering the star(s) in the simulation, dragging to change orbits and obliquity, adjusting the climate simulation parameters directly or changing other properties like CO2 concentration that affect the model parameters in representative ways. Ongoing visuals of the expansion and contraction of sea ice and snow-cover respond to the temperature calculations, and make it accessible to explore a variety of scenarios and intuitive to understand the output. Variables like temperature can also be graphed in real time. We balance computational constraints with the ability to capture the physical phenomena we wish to visualize, giving everyone access to a simple open-ended meridional energy balance climate simulation to explore and experiment with. The software lends itself to labs at a variety of levels about climate concepts including seasons, the Greenhouse effect, reservoirs and flows, albedo feedback, Snowball Earth, climate sensitivity, and model experiment design. Climate calculations are extended to Mars with some modifications to the Earth climate component, and could be used in lessons about the Mars atmosphere, and exploring scenarios of Mars climate history.

Validation of a Monte Carlo model used for simulating tube current modulation in computed tomography over a wide range of phantom conditions/challenges

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

Bostani, Maryam, E-mail: mbostani@mednet.ucla.edu; McMillan, Kyle; Cagnon, Chris H.

2014-11-01

Purpose: Monte Carlo (MC) simulation methods have been widely used in patient dosimetry in computed tomography (CT), including estimating patient organ doses. However, most simulation methods have undergone a limited set of validations, often using homogeneous phantoms with simple geometries. As clinical scanning has become more complex and the use of tube current modulation (TCM) has become pervasive in the clinic, MC simulations should include these techniques in their methodologies and therefore should also be validated using a variety of phantoms with different shapes and material compositions to result in a variety of differently modulated tube current profiles. The purposemore » of this work is to perform the measurements and simulations to validate a Monte Carlo model under a variety of test conditions where fixed tube current (FTC) and TCM were used. Methods: A previously developed MC model for estimating dose from CT scans that models TCM, built using the platform of MCNPX, was used for CT dose quantification. In order to validate the suitability of this model to accurately simulate patient dose from FTC and TCM CT scan, measurements and simulations were compared over a wide range of conditions. Phantoms used for testing range from simple geometries with homogeneous composition (16 and 32 cm computed tomography dose index phantoms) to more complex phantoms including a rectangular homogeneous water equivalent phantom, an elliptical shaped phantom with three sections (where each section was a homogeneous, but different material), and a heterogeneous, complex geometry anthropomorphic phantom. Each phantom requires varying levels of x-, y- and z-modulation. Each phantom was scanned on a multidetector row CT (Sensation 64) scanner under the conditions of both FTC and TCM. Dose measurements were made at various surface and depth positions within each phantom. Simulations using each phantom were performed for FTC, detailed x–y–z TCM, and z-axis-only TCM to obtain dose estimates. This allowed direct comparisons between measured and simulated dose values under each condition of phantom, location, and scan to be made. Results: For FTC scans, the percent root mean square (RMS) difference between measurements and simulations was within 5% across all phantoms. For TCM scans, the percent RMS of the difference between measured and simulated values when using detailed TCM and z-axis-only TCM simulations was 4.5% and 13.2%, respectively. For the anthropomorphic phantom, the difference between TCM measurements and detailed TCM and z-axis-only TCM simulations was 1.2% and 8.9%, respectively. For FTC measurements and simulations, the percent RMS of the difference was 5.0%. Conclusions: This work demonstrated that the Monte Carlo model developed provided good agreement between measured and simulated values under both simple and complex geometries including an anthropomorphic phantom. This work also showed the increased dose differences for z-axis-only TCM simulations, where considerable modulation in the x–y plane was present due to the shape of the rectangular water phantom. Results from this investigation highlight details that need to be included in Monte Carlo simulations of TCM CT scans in order to yield accurate, clinically viable assessments of patient dosimetry.« less

Smouldering (thermal) remediation of soil contaminated with industrial organic liquids: novel insights into heat transfer and kinetics uncovered by integrating experiments and modelling

NASA Astrophysics Data System (ADS)

Gerhard, J.; Zanoni, M. A. B.; Torero, J. L.

2017-12-01

Smouldering (i.e., flameless combustion) underpins the technology Self-sustaining Treatment for Active Remediation (STAR). STAR achieves the in situ destruction of nonaqueous phase liquids (NAPLs) by generating a self-sustained smouldering reaction that propagates through the source zone. This research explores the nature of the travelling reaction and the influence of key in situ and engineered characteristics. A novel one-dimensional numerical model was developed (in COMSOL) to simulate the smouldering remediation of bitumen-contaminated sand. This model was validated against laboratory column experiments. Achieving model validation depended on correctly simulating the energy balance at the reaction front, including properly accounting for heat transfer, smouldering kinetics, and heat losses. Heat transfer between soil and air was demonstrated to be generally not at equilibrium. Moreover, existing heat transfer correlations were found to be inappropriate for the low air flow Reynold's numbers (Re < 30) relevant in this and similar thermal remediation systems. Therefore, a suite of experiments were conducted to generate a new heat transfer correlation, which generated correct simulations of convective heat flow through soil. Moreover, it was found that, for most cases of interest, a simple two-step pyrolysis/oxidation set of kinetic reactions was sufficient. Arrhenius parameters, calculated independently from thermogravimetric experiments, allowed the reaction kinetics to be validated in the smouldering model. Furthermore, a simple heat loss term sufficiently accounted for radial heat losses from the column. Altogether, these advances allow this simple model to reasonably predict the self-sustaining process including the peak reaction temperature, the reaction velocity, and the complete destruction of bitumen behind the front. Simulations with the validated model revealed numerous unique insights, including how the system inherently recycles energy, how air flow rate and NAPL saturation dictate contaminant destruction rates, and the extremes that lead to extinction. Overall, this research provides unique insights into the complex interplay of thermochemical processes that govern the success of smouldering as well as other thermal remediation approaches.

[Are simple time lags responsible for cyclic variation of population density? : A comparison of laboratory population dynamics of Brachionus calyciflorus pallas (rotatoria) with computer simulations].

PubMed

Halbach, Udo; Burkhardt, Heinz Jürgen

1972-09-01

Laboratory populations of the rotifer Brachionus calyciflorus were cultured at different temperatures (25, 20, 15°C) but otherwise at constant conditions. The population densities showed relatively constant oscillations (Figs. 1 to 3A-C). Amplitudes and frequencies of the oscillations were positively correlated with temperature (Table 1). A test was made, whether the logistic growth function with simple time lag is able to describe the population curves. There are strong similarities between the simulations (Figs. 1-3E) and the real population dynamics if minor adjustments of the empirically determined parameters are made. There-fore it is suggested that time lags are responsible for the observed oscillations. However, the actual time lags probably do not act in the simple manner of the model, because birth and death rates react with different time lags, and both parameters are dependent on individual age and population density. A more complex model, which incorporates these modifications, should lead to a more realistic description of the observed oscillations.

Meningomyelocele Simulation Model: Pre-surgical Management–Technical Report

PubMed Central

Angert, Robert M

2018-01-01

This technical report describes the creation of a myelomeningocele model of a newborn baby. This is a simple, low-cost, and easy-to-assemble model that allows the medical team to practice the delivery room management of a newborn with myelomeningocele. The report includes scenarios and a suggested checklist with which the model can be employed. PMID:29713576

Meningomyelocele Simulation Model: Pre-surgical Management-Technical Report.

PubMed

Rosen, Orna; Angert, Robert M

2018-02-26

This technical report describes the creation of a myelomeningocele model of a newborn baby. This is a simple, low-cost, and easy-to-assemble model that allows the medical team to practice the delivery room management of a newborn with myelomeningocele. The report includes scenarios and a suggested checklist with which the model can be employed.

Design, modelling and simulation aspects of an ankle rehabilitation device

NASA Astrophysics Data System (ADS)

Racu, C. M.; Doroftei, I.

2016-08-01

Ankle injuries are amongst the most common injuries of the lower limb. Besides initial treatment, rehabilitation of the patients plays a crucial role for future activities and proper functionality of the foot. Traditionally, ankle injuries are rehabilitated via physiotherapy, using simple equipment like elastic bands and rollers, requiring intensive efforts of therapists and patients. Thus, the need of robotic devices emerges. In this paper, the design concept and some modelling and simulation aspects of a novel ankle rehabilitation device are presented.

Simulating Self-Assembly with Simple Models

NASA Astrophysics Data System (ADS)

Rapaport, D. C.

Results from recent molecular dynamics simulations of virus capsid self-assembly are described. The model is based on rigid trapezoidal particles designed to form polyhedral shells of size 60, together with an atomistic solvent. The underlying bonding process is fully reversible. More extensive computations are required than in previous work on icosahedral shells built from triangular particles, but the outcome is a high yield of closed shells. Intermediate clusters have a variety of forms, and bond counts provide a useful classification scheme

Internal Energy Transfer and Dissociation Model Development using Accelerated First-Principles Simulations of Hypersonic Flow Features

DTIC Science & Technology

2013-07-11

in Fig. 3) is simulated. Each atom interacts with its neighboring atoms through a potential energy surface (PES), such as the simple Lennard - Jones ... Lennard -­‐ Jones  (LJ)   potential  energy  surface  (PES)  dictating  atomic  interaction  forces. The main point of this section is to...the potential energy surface (PES) that governs individual atomic interaction forces. In contrast to existing rotational energy models, we found

A Simple and Efficient Computational Approach to Chafed Cable Time-Domain Reflectometry Signature Prediction

NASA Technical Reports Server (NTRS)

Kowalski, Marc Edward

2009-01-01

A method for the prediction of time-domain signatures of chafed coaxial cables is presented. The method is quasi-static in nature, and is thus efficient enough to be included in inference and inversion routines. Unlike previous models proposed, no restriction on the geometry or size of the chafe is required in the present approach. The model is validated and its speed is illustrated via comparison to simulations from a commercial, three-dimensional electromagnetic simulator.

Automation effects in a multiloop manual control system

NASA Technical Reports Server (NTRS)

Hess, R. A.; Mcnally, B. D.

1986-01-01

An experimental and analytical study was undertaken to investigate human interaction with a simple multiloop manual control system in which the human's activity was systematically varied by changing the level of automation. The system simulated was the longitudinal dynamics of a hovering helicopter. The automation-systems-stabilized vehicle responses from attitude to velocity to position and also provided for display automation in the form of a flight director. The control-loop structure resulting from the task definition can be considered a simple stereotype of a hierarchical control system. The experimental study was complemented by an analytical modeling effort which utilized simple crossover models of the human operator. It was shown that such models can be extended to the description of multiloop tasks involving preview and precognitive human operator behavior. The existence of time optimal manual control behavior was established for these tasks and the role which internal models may play in establishing human-machine performance was discussed.

When push comes to shove: Exclusion processes with nonlocal consequences

NASA Astrophysics Data System (ADS)

Almet, Axel A.; Pan, Michael; Hughes, Barry D.; Landman, Kerry A.

2015-11-01

Stochastic agent-based models are useful for modelling collective movement of biological cells. Lattice-based random walk models of interacting agents where each site can be occupied by at most one agent are called simple exclusion processes. An alternative motility mechanism to simple exclusion is formulated, in which agents are granted more freedom to move under the compromise that interactions are no longer necessarily local. This mechanism is termed shoving. A nonlinear diffusion equation is derived for a single population of shoving agents using mean-field continuum approximations. A continuum model is also derived for a multispecies problem with interacting subpopulations, which either obey the shoving rules or the simple exclusion rules. Numerical solutions of the derived partial differential equations compare well with averaged simulation results for both the single species and multispecies processes in two dimensions, while some issues arise in one dimension for the multispecies case.

A simple object-oriented and open-source model for scientific and policy analyses of the global climate system – Hector v1.0

DOE PAGES

Hartin, Corinne A.; Patel, Pralit L.; Schwarber, Adria; ...

2015-04-01

Simple climate models play an integral role in the policy and scientific communities. They are used for climate mitigation scenarios within integrated assessment models, complex climate model emulation, and uncertainty analyses. Here we describe Hector v1.0, an open source, object-oriented, simple global climate carbon-cycle model. This model runs essentially instantaneously while still representing the most critical global-scale earth system processes. Hector has a three-part main carbon cycle: a one-pool atmosphere, land, and ocean. The model's terrestrial carbon cycle includes primary production and respiration fluxes, accommodating arbitrary geographic divisions into, e.g., ecological biomes or political units. Hector actively solves the inorganicmore » carbon system in the surface ocean, directly calculating air–sea fluxes of carbon and ocean pH. Hector reproduces the global historical trends of atmospheric [CO 2], radiative forcing, and surface temperatures. The model simulates all four Representative Concentration Pathways (RCPs) with equivalent rates of change of key variables over time compared to current observations, MAGICC (a well-known simple climate model), and models from the 5th Coupled Model Intercomparison Project. Hector's flexibility, open-source nature, and modular design will facilitate a broad range of research in various areas.« less

Oxygen Transport: A Simple Model for Study and Examination.

ERIC Educational Resources Information Center

Gaar, Kermit A., Jr.

1985-01-01

Describes an oxygen transport model computer program (written in Applesoft BASIC) which uses such variables as amount of time lapse from beginning of the simulation, arterial blood oxygen concentration, alveolar oxygen pressure, and venous blood oxygen concentration and pressure. Includes information on obtaining the program and its documentation.…

Factor Analysis for Clustered Observations.

ERIC Educational Resources Information Center

Longford, N. T.; Muthen, B. O.

1992-01-01

A two-level model for factor analysis is defined, and formulas for a scoring algorithm for this model are derived. A simple noniterative method based on decomposition of total sums of the squares and cross-products is discussed and illustrated with simulated data and data from the Second International Mathematics Study. (SLD)

A SCREENING MODEL FOR SIMULATING DNAPL FLOW AND TRANSPORT IN POROUS MEDIA: THEORETICAL DEVELOPMENT

EPA Science Inventory

There exists a need for a simple tool that will allow us to analyze a DNAPL contamination scenario from free-product release to transport of soluble constituents to downgradient receptor wells. The objective of this manuscript is to present the conceptual model and formulate the ...

Investigating Complexity Using Excel and Visual Basic.

ERIC Educational Resources Information Center

Zetie, K. P.

2001-01-01

Shows how some of the simple ideas in complexity can be investigated using a spreadsheet and a macro written in Visual Basic. Shows how the sandpile model of Bak, Chao, and Wiesenfeld can be simulated and animated. The model produces results that cannot easily be predicted from its properties. (Author/MM)

Dynamic PET simulator via tomographic emission projection for kinetic modeling and parametric image studies

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

Häggström, Ida, E-mail: haeggsti@mskcc.org; Beattie, Bradley J.; Schmidtlein, C. Ross

2016-06-15

Purpose: To develop and evaluate a fast and simple tool called dPETSTEP (Dynamic PET Simulator of Tracers via Emission Projection), for dynamic PET simulations as an alternative to Monte Carlo (MC), useful for educational purposes and evaluation of the effects of the clinical environment, postprocessing choices, etc., on dynamic and parametric images. Methods: The tool was developed in MATLAB using both new and previously reported modules of PETSTEP (PET Simulator of Tracers via Emission Projection). Time activity curves are generated for each voxel of the input parametric image, whereby effects of imaging system blurring, counting noise, scatters, randoms, and attenuationmore » are simulated for each frame. Each frame is then reconstructed into images according to the user specified method, settings, and corrections. Reconstructed images were compared to MC data, and simple Gaussian noised time activity curves (GAUSS). Results: dPETSTEP was 8000 times faster than MC. Dynamic images from dPETSTEP had a root mean square error that was within 4% on average of that of MC images, whereas the GAUSS images were within 11%. The average bias in dPETSTEP and MC images was the same, while GAUSS differed by 3% points. Noise profiles in dPETSTEP images conformed well to MC images, confirmed visually by scatter plot histograms, and statistically by tumor region of interest histogram comparisons that showed no significant differences (p < 0.01). Compared to GAUSS, dPETSTEP images and noise properties agreed better with MC. Conclusions: The authors have developed a fast and easy one-stop solution for simulations of dynamic PET and parametric images, and demonstrated that it generates both images and subsequent parametric images with very similar noise properties to those of MC images, in a fraction of the time. They believe dPETSTEP to be very useful for generating fast, simple, and realistic results, however since it uses simple scatter and random models it may not be suitable for studies investigating these phenomena. dPETSTEP can be downloaded free of cost from https://github.com/CRossSchmidtlein/dPETSTEP.« less

Exploring the Dynamics of Cell Processes through Simulations of Fluorescence Microscopy Experiments

PubMed Central

Angiolini, Juan; Plachta, Nicolas; Mocskos, Esteban; Levi, Valeria

2015-01-01

Fluorescence correlation spectroscopy (FCS) methods are powerful tools for unveiling the dynamical organization of cells. For simple cases, such as molecules passively moving in a homogeneous media, FCS analysis yields analytical functions that can be fitted to the experimental data to recover the phenomenological rate parameters. Unfortunately, many dynamical processes in cells do not follow these simple models, and in many instances it is not possible to obtain an analytical function through a theoretical analysis of a more complex model. In such cases, experimental analysis can be combined with Monte Carlo simulations to aid in interpretation of the data. In response to this need, we developed a method called FERNET (Fluorescence Emission Recipes and Numerical routines Toolkit) based on Monte Carlo simulations and the MCell-Blender platform, which was designed to treat the reaction-diffusion problem under realistic scenarios. This method enables us to set complex geometries of the simulation space, distribute molecules among different compartments, and define interspecies reactions with selected kinetic constants, diffusion coefficients, and species brightness. We apply this method to simulate single- and multiple-point FCS, photon-counting histogram analysis, raster image correlation spectroscopy, and two-color fluorescence cross-correlation spectroscopy. We believe that this new program could be very useful for predicting and understanding the output of fluorescence microscopy experiments. PMID:26039162

Molecular dynamics simulation: a tool for exploration and discovery using simple models

NASA Astrophysics Data System (ADS)

Rapaport, D. C.

2014-12-01

Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome is not always a foregone conclusion. The present survey focuses on several simple model systems that exhibit surprisingly rich emergent behavior, all studied by molecular dynamics (MD) simulation. The examples are taken from the disparate fields of fluid dynamics, granular matter and supramolecular self-assembly. In studies of fluids modeled at the detailed microscopic level using discrete particles, the simulations demonstrate that complex hydrodynamic phenomena in rotating and convecting fluids—the Taylor-Couette and Rayleigh-Bénard instabilities—can not only be observed within the limited length and time scales accessible to MD, but even allow quantitative agreement to be achieved. Simulation of highly counter-intuitive segregation phenomena in granular mixtures, again using MD methods, but now augmented by forces producing damping and friction, leads to results that resemble experimentally observed axial and radial segregation in the case of a rotating cylinder and to a novel form of horizontal segregation in a vertically vibrated layer. Finally, when modeling self-assembly processes analogous to the formation of the polyhedral shells that package spherical viruses, simulation of suitably shaped particles reveals the ability to produce complete, error-free assembly and leads to the important general observation that reversible growth steps contribute to the high yield. While there are limitations to the MD approach, both computational and conceptual, the results offer a tantalizing hint of the kinds of phenomena that can be explored and what might be discovered when sufficient resources are brought to bear on a problem.

Early use of simulation in medical education.

PubMed

Owen, Harry

2012-04-01

An oft-cited belief that, until recently, simulators used in education of health care professionals were simple models is wrong. Hundreds of years ago and, in one instance, thousands of years ago, intricate models were used to help teach anatomy and physiology and in training in obstetrics and many surgical disciplines. Simulators were used to learn skills before performing them on patients and in high-stakes assessment.The newest technologies were often used in simulators to improve fidelity. In the 18th century, obstetric simulators could leak amniotic fluid, and blood were used to train midwives and obstetricians to recognize and manage complications of childbirth. Italy was the major source of simulators early in the 18th century, but in the 19th century, dominance in clinical simulation moved to France, Britain, and then Germany. In comparison, much of the 20th century was a "dark age" for simulation.

Assessing the convergence of LHS Monte Carlo simulations of wastewater treatment models.

PubMed

Benedetti, Lorenzo; Claeys, Filip; Nopens, Ingmar; Vanrolleghem, Peter A

2011-01-01

Monte Carlo (MC) simulation appears to be the only currently adopted tool to estimate global sensitivities and uncertainties in wastewater treatment modelling. Such models are highly complex, dynamic and non-linear, requiring long computation times, especially in the scope of MC simulation, due to the large number of simulations usually required. However, no stopping rule to decide on the number of simulations required to achieve a given confidence in the MC simulation results has been adopted so far in the field. In this work, a pragmatic method is proposed to minimize the computation time by using a combination of several criteria. It makes no use of prior knowledge about the model, is very simple, intuitive and can be automated: all convenient features in engineering applications. A case study is used to show an application of the method, and the results indicate that the required number of simulations strongly depends on the model output(s) selected, and on the type and desired accuracy of the analysis conducted. Hence, no prior indication is available regarding the necessary number of MC simulations, but the proposed method is capable of dealing with these variations and stopping the calculations after convergence is reached.

Comparison Between Numerically Simulated and Experimentally Measured Flowfield Quantities Behind a Pulsejet

NASA Technical Reports Server (NTRS)

Geng, Tao; Paxson, Daniel E.; Zheng, Fei; Kuznetsov, Andrey V.; Roberts, William L.

2008-01-01

Pulsed combustion is receiving renewed interest as a potential route to higher performance in air breathing propulsion systems. Pulsejets offer a simple experimental device with which to study unsteady combustion phenomena and validate simulations. Previous computational fluid dynamic (CFD) simulation work focused primarily on the pulsejet combustion and exhaust processes. This paper describes a new inlet sub-model which simulates the fluidic and mechanical operation of a valved pulsejet head. The governing equations for this sub-model are described. Sub-model validation is provided through comparisons of simulated and experimentally measured reed valve motion, and time averaged inlet mass flow rate. The updated pulsejet simulation, with the inlet sub-model implemented, is validated through comparison with experimentally measured combustion chamber pressure, inlet mass flow rate, operational frequency, and thrust. Additionally, the simulated pulsejet exhaust flowfield, which is dominated by a starting vortex ring, is compared with particle imaging velocimetry (PIV) measurements on the bases of velocity, vorticity, and vortex location. The results show good agreement between simulated and experimental data. The inlet sub-model is shown to be critical for the successful modeling of pulsejet operation. This sub-model correctly predicts both the inlet mass flow rate and its phase relationship with the combustion chamber pressure. As a result, the predicted pulsejet thrust agrees very well with experimental data.

A Simple Forecasting Model Linking Macroeconomic Policy to Industrial Employment Demand.

ERIC Educational Resources Information Center

Malley, James R.; Hady, Thomas F.

A study detailed further a model linking monetary and fiscal policy to industrial employment in metropolitan and nonmetropolitan areas of four United States regions. The model was used to simulate the impacts on area and regional employment of three events in the economy: changing real gross national product (GNP) via monetary policy, holding the…

Boltzmann's "H"-Theorem and the Assumption of Molecular Chaos

ERIC Educational Resources Information Center

Boozer, A. D.

2011-01-01

We describe a simple dynamical model of a one-dimensional ideal gas and use computer simulations of the model to illustrate two fundamental results of kinetic theory: the Boltzmann transport equation and the Boltzmann "H"-theorem. Although the model is time-reversal invariant, both results predict that the behaviour of the gas is time-asymmetric.…

Pressure-Temperature Simulation at Brady Hot Springs

DOE Data Explorer

Feigl, Kurt (ORCID:0000000220596708)

2017-07-11

These files contain the output of a model calculation to simulate the pressure and temperature of fluid at Brady Hot Springs, Nevada, USA. The calculation couples the hydrologic flow (Darcy's Law) with simple thermodynamics. The epoch of validity is 24 March 2015. Coordinates are UTM Easting, Northing, and Elevation in meters. Temperature is specified in degrees Celsius. Pressure is specified in Pascal.

SIGNUM: A Matlab, TIN-based landscape evolution model

NASA Astrophysics Data System (ADS)

Refice, A.; Giachetta, E.; Capolongo, D.

2012-08-01

Several numerical landscape evolution models (LEMs) have been developed to date, and many are available as open source codes. Most are written in efficient programming languages such as Fortran or C, but often require additional code efforts to plug in to more user-friendly data analysis and/or visualization tools to ease interpretation and scientific insight. In this paper, we present an effort to port a common core of accepted physical principles governing landscape evolution directly into a high-level language and data analysis environment such as Matlab. SIGNUM (acronym for Simple Integrated Geomorphological Numerical Model) is an independent and self-contained Matlab, TIN-based landscape evolution model, built to simulate topography development at various space and time scales. SIGNUM is presently capable of simulating hillslope processes such as linear and nonlinear diffusion, fluvial incision into bedrock, spatially varying surface uplift which can be used to simulate changes in base level, thrust and faulting, as well as effects of climate changes. Although based on accepted and well-known processes and algorithms in its present version, it is built with a modular structure, which allows to easily modify and upgrade the simulated physical processes to suite virtually any user needs. The code is conceived as an open-source project, and is thus an ideal tool for both research and didactic purposes, thanks to the high-level nature of the Matlab environment and its popularity among the scientific community. In this paper the simulation code is presented together with some simple examples of surface evolution, and guidelines for development of new modules and algorithms are proposed.

A method for simulating transient ground-water recharge in deep water-table settings in central Florida by using a simple water-balance/transfer-function model

USGS Publications Warehouse

O'Reilly, Andrew M.

2004-01-01

A relatively simple method is needed that provides estimates of transient ground-water recharge in deep water-table settings that can be incorporated into other hydrologic models. Deep water-table settings are areas where the water table is below the reach of plant roots and virtually all water that is not lost to surface runoff, evaporation at land surface, or evapotranspiration in the root zone eventually becomes ground-water recharge. Areas in central Florida with a deep water table generally are high recharge areas; consequently, simulation of recharge in these areas is of particular interest to water-resource managers. Yet the complexities of meteorological variations and unsaturated flow processes make it difficult to estimate short-term recharge rates, thereby confounding calibration and predictive use of transient hydrologic models. A simple water-balance/transfer-function (WBTF) model was developed for simulating transient ground-water recharge in deep water-table settings. The WBTF model represents a one-dimensional column from the top of the vegetative canopy to the water table and consists of two components: (1) a water-balance module that simulates the water storage capacity of the vegetative canopy and root zone; and (2) a transfer-function module that simulates the traveltime of water as it percolates from the bottom of the root zone to the water table. Data requirements include two time series for the period of interest?precipitation (or precipitation minus surface runoff, if surface runoff is not negligible) and evapotranspiration?and values for five parameters that represent water storage capacity or soil-drainage characteristics. A limiting assumption of the WBTF model is that the percolation of water below the root zone is a linear process. That is, percolating water is assumed to have the same traveltime characteristics, experiencing the same delay and attenuation, as it moves through the unsaturated zone. This assumption is more accurate if the moisture content, and consequently the unsaturated hydraulic conductivity, below the root zone does not vary substantially with time. Results of the WBTF model were compared to those of the U.S. Geological Survey variably saturated flow model, VS2DT, and to field-based estimates of recharge to demonstrate the applicability of the WBTF model for a range of conditions relevant to deep water-table settings in central Florida. The WBTF model reproduced independently obtained estimates of recharge reasonably well for different soil types and water-table depths.

Serial recall of colors: Two models of memory for serial order applied to continuous visual stimuli.

PubMed

Peteranderl, Sonja; Oberauer, Klaus

2018-01-01

This study investigated the effects of serial position and temporal distinctiveness on serial recall of simple visual stimuli. Participants observed lists of five colors presented at varying, unpredictably ordered interitem intervals, and their task was to reproduce the colors in their order of presentation by selecting colors on a continuous-response scale. To control for the possibility of verbal labeling, articulatory suppression was required in one of two experimental sessions. The predictions were derived through simulation from two computational models of serial recall: SIMPLE represents the class of temporal-distinctiveness models, whereas SOB-CS represents event-based models. According to temporal-distinctiveness models, items that are temporally isolated within a list are recalled more accurately than items that are temporally crowded. In contrast, event-based models assume that the time intervals between items do not affect recall performance per se, although free time following an item can improve memory for that item because of extended time for the encoding. The experimental and the simulated data were fit to an interference measurement model to measure the tendency to confuse items with other items nearby on the list-the locality constraint-in people as well as in the models. The continuous-reproduction performance showed a pronounced primacy effect with no recency, as well as some evidence for transpositions obeying the locality constraint. Though not entirely conclusive, this evidence favors event-based models over a role for temporal distinctiveness. There was also a strong detrimental effect of articulatory suppression, suggesting that verbal codes can be used to support serial-order memory of simple visual stimuli.

Revising Hydrology of a Land Surface Model

NASA Astrophysics Data System (ADS)

Le Vine, Nataliya; Butler, Adrian; McIntyre, Neil; Jackson, Christopher

2015-04-01

Land Surface Models (LSMs) are key elements in guiding adaptation to the changing water cycle and the starting points to develop a global hyper-resolution model of the terrestrial water, energy and biogeochemical cycles. However, before this potential is realised, there are some fundamental limitations of LSMs related to how meaningfully hydrological fluxes and stores are represented. An important limitation is the simplistic or non-existent representation of the deep subsurface in LSMs; and another is the lack of connection of LSM parameterisations to relevant hydrological information. In this context, the paper uses a case study of the JULES (Joint UK Land Environmental Simulator) LSM applied to the Kennet region in Southern England. The paper explores the assumptions behind JULES hydrology, adapts the model structure and optimises the coupling with the ZOOMQ3D regional groundwater model. The analysis illustrates how three types of information can be used to improve the model's hydrology: a) observations, b) regionalized information, and c) information from an independent physics-based model. It is found that: 1) coupling to the groundwater model allows realistic simulation of streamflows; 2) a simple dynamic lower boundary improves upon JULES' stationary unit gradient condition; 3) a 1D vertical flow in the unsaturated zone is sufficient; however there is benefit in introducing a simple dual soil moisture retention curve; 4) regionalized information can be used to describe soil spatial heterogeneity. It is concluded that relatively simple refinements to the hydrology of JULES and its parameterisation method can provide a substantial step forward in realising its potential as a high-resolution multi-purpose model.

Tests of Parameterized Langmuir Circulation Mixing in the Oceans Surface Mixed Layer II

DTIC Science & Technology

2017-08-11

inertial oscillations in the ocean are governed by three-dimensional processes that are not accounted for in a one-dimensional simulation , and it was...Unlimited 52 Paul Martin (228) 688-5447 Recent large-eddy simulations (LES) of Langmuir circulation (LC) within the surface mixed layer (SML) of...used in the Navy Coastal Ocean Model (NCOM) and tested for (a) a simple wind-mixing case, (b) simulations of the upper ocean thermal structure at Ocean

Numerical model of solar dynamic radiator for parametric analysis

NASA Technical Reports Server (NTRS)

Rhatigan, Jennifer L.

1989-01-01

Growth power requirements for Space Station Freedom will be met through addition of 25 kW solar dynamic (SD) power modules. Extensive thermal and power cycle modeling capabilities have been developed which are powerful tools in Station design and analysis, but which prove cumbersome and costly for simple component preliminary design studies. In order to aid in refining the SD radiator to the mature design stage, a simple and flexible numerical model was developed. The model simulates heat transfer and fluid flow performance of the radiator and calculates area mass and impact survivability for many combinations of flow tube and panel configurations, fluid and material properties, and environmental and cycle variations.

Design Considerations for Heavily-Doped Cryogenic Schottky Diode Varactor Multipliers

NASA Technical Reports Server (NTRS)

Schlecht, E.; Maiwald, F.; Chattopadhyay, G.; Martin, S.; Mehdi, I.

2001-01-01

Diode modeling for Schottky varactor frequency multipliers above 500 GHz is presented with special emphasis placed on simple models and fitted equations for rapid circuit design. Temperature- and doping-dependent mobility, resistivity, and avalanche current multiplication and breakdown are presented. Next is a discussion of static junction current, including the effects of tunneling as well as thermionic emission. These results have been compared to detailed measurements made down to 80 K on diodes fabricated at JPL, followed by a discussion of the effect on multiplier efficiency. Finally, a simple model of current saturation in the undepleted active layer suitable for inclusion in harmonic balance simulators is derived.

A simple statistical model for geomagnetic reversals

NASA Technical Reports Server (NTRS)

Constable, Catherine

1990-01-01

The diversity of paleomagnetic records of geomagnetic reversals now available indicate that the field configuration during transitions cannot be adequately described by simple zonal or standing field models. A new model described here is based on statistical properties inferred from the present field and is capable of simulating field transitions like those observed. Some insight is obtained into what one can hope to learn from paleomagnetic records. In particular, it is crucial that the effects of smoothing in the remanence acquisition process be separated from true geomagnetic field behavior. This might enable us to determine the time constants associated with the dominant field configuration during a reversal.

Dynamics of financial crises in the world trade network

NASA Astrophysics Data System (ADS)

Askari, Marziyeh; Shirazi, Homayoun; Aghababaei Samani, Keivan

2018-07-01

A simple dynamical model is introduced to simulate the spreading of financial crises in the world trade network. In this model a directed network is constructed in which a weighted and directed link indicates the export value between two countries. The weights are subject to the change by a simple dynamical rule. The process begins with a crisis, i.e. a sudden decrease in the export value of a certain country and spreads throughout the whole network. We compare our results with the real values corresponding to the global financial crisis of 2008 and show that the results of our model are in good agreement with reality.

Simple models for the simulation of submarine melt for a Greenland glacial system model

NASA Astrophysics Data System (ADS)

Beckmann, Johanna; Perrette, Mahé; Ganopolski, Andrey

2018-01-01

Two hundred marine-terminating Greenland outlet glaciers deliver more than half of the annually accumulated ice into the ocean and have played an important role in the Greenland ice sheet mass loss observed since the mid-1990s. Submarine melt may play a crucial role in the mass balance and position of the grounding line of these outlet glaciers. As the ocean warms, it is expected that submarine melt will increase, potentially driving outlet glaciers retreat and contributing to sea level rise. Projections of the future contribution of outlet glaciers to sea level rise are hampered by the necessity to use models with extremely high resolution of the order of a few hundred meters. That requirement in not only demanded when modeling outlet glaciers as a stand alone model but also when coupling them with high-resolution 3-D ocean models. In addition, fjord bathymetry data are mostly missing or inaccurate (errors of several hundreds of meters), which questions the benefit of using computationally expensive 3-D models for future predictions. Here we propose an alternative approach built on the use of a computationally efficient simple model of submarine melt based on turbulent plume theory. We show that such a simple model is in reasonable agreement with several available modeling studies. We performed a suite of experiments to analyze sensitivity of these simple models to model parameters and climate characteristics. We found that the computationally cheap plume model demonstrates qualitatively similar behavior as 3-D general circulation models. To match results of the 3-D models in a quantitative manner, a scaling factor of the order of 1 is needed for the plume models. We applied this approach to model submarine melt for six representative Greenland glaciers and found that the application of a line plume can produce submarine melt compatible with observational data. Our results show that the line plume model is more appropriate than the cone plume model for simulating the average submarine melting of real glaciers in Greenland.

A coupled surface-water and ground-water flow model (MODBRANCH) for simulation of stream-aquifer interaction

USGS Publications Warehouse

Swain, Eric D.; Wexler, Eliezer J.

1996-01-01

Ground-water and surface-water flow models traditionally have been developed separately, with interaction between subsurface flow and streamflow either not simulated at all or accounted for by simple formulations. In areas with dynamic and hydraulically well-connected ground-water and surface-water systems, stream-aquifer interaction should be simulated using deterministic responses of both systems coupled at the stream-aquifer interface. Accordingly, a new coupled ground-water and surface-water model was developed by combining the U.S. Geological Survey models MODFLOW and BRANCH; the interfacing code is referred to as MODBRANCH. MODFLOW is the widely used modular three-dimensional, finite-difference ground-water model, and BRANCH is a one-dimensional numerical model commonly used to simulate unsteady flow in open- channel networks. MODFLOW was originally written with the River package, which calculates leakage between the aquifer and stream, assuming that the stream's stage remains constant during one model stress period. A simple streamflow routing model has been added to MODFLOW, but is limited to steady flow in rectangular, prismatic channels. To overcome these limitations, the BRANCH model, which simulates unsteady, nonuniform flow by solving the St. Venant equations, was restructured and incorporated into MODFLOW. Terms that describe leakage between stream and aquifer as a function of streambed conductance and differences in aquifer and stream stage were added to the continuity equation in BRANCH. Thus, leakage between the aquifer and stream can be calculated separately in each model, or leakages calculated in BRANCH can be used in MODFLOW. Total mass in the coupled models is accounted for and conserved. The BRANCH model calculates new stream stages for each time interval in a transient simulation based on upstream boundary conditions, stream properties, and initial estimates of aquifer heads. Next, aquifer heads are calculated in MODFLOW based on stream stages calculated by BRANCH, aquifer properties, and stresses. This process is repeated until convergence criteria are met for head and stage. Because time steps used in ground-water modeling can be much longer than time intervals used in surface- water simulations, provision has been made for handling multiple BRANCH time intervals within one MODFLOW time step. An option was also added to BRANCH to allow the simulation of channel drying and rewetting. Testing of the coupled model was verified by using data from previous studies; by comparing results with output from a simpler, four-point implicit, open-channel flow model linked with MODFLOW; and by comparison to field studies of L-31N canal in southern Florida.

SPARK: A Framework for Multi-Scale Agent-Based Biomedical Modeling.

PubMed

Solovyev, Alexey; Mikheev, Maxim; Zhou, Leming; Dutta-Moscato, Joyeeta; Ziraldo, Cordelia; An, Gary; Vodovotz, Yoram; Mi, Qi

2010-01-01

Multi-scale modeling of complex biological systems remains a central challenge in the systems biology community. A method of dynamic knowledge representation known as agent-based modeling enables the study of higher level behavior emerging from discrete events performed by individual components. With the advancement of computer technology, agent-based modeling has emerged as an innovative technique to model the complexities of systems biology. In this work, the authors describe SPARK (Simple Platform for Agent-based Representation of Knowledge), a framework for agent-based modeling specifically designed for systems-level biomedical model development. SPARK is a stand-alone application written in Java. It provides a user-friendly interface, and a simple programming language for developing Agent-Based Models (ABMs). SPARK has the following features specialized for modeling biomedical systems: 1) continuous space that can simulate real physical space; 2) flexible agent size and shape that can represent the relative proportions of various cell types; 3) multiple spaces that can concurrently simulate and visualize multiple scales in biomedical models; 4) a convenient graphical user interface. Existing ABMs of diabetic foot ulcers and acute inflammation were implemented in SPARK. Models of identical complexity were run in both NetLogo and SPARK; the SPARK-based models ran two to three times faster.

Application of geometry based hysteresis modelling in compensation of hysteresis of piezo bender actuator

NASA Astrophysics Data System (ADS)

Milecki, Andrzej; Pelic, Marcin

2016-10-01

This paper presents results of studies of an application of a new method of piezo bender actuators modelling. A special hysteresis simulation model was developed and is presented. The model is based on a geometrical deformation of main hysteresis loop. The piezoelectric effect is described and the history of the hysteresis modelling is briefly reviewed. Firstly, a simple model for main loop modelling is proposed. Then, a geometrical description of the non-saturated hysteresis is presented and its modelling method is introduced. The modelling makes use of the function describing the geometrical shape of the two hysteresis main curves, which can be defined theoretically or obtained by measurement. These main curves are stored in the memory and transformed geometrically in order to obtain the minor curves. Such model was prepared in the Matlab-Simulink software, but can be easily implemented using any programming language and applied in an on-line controller. In comparison to the other known simulation methods, the one presented in the paper is easy to understand, and uses simple arithmetical equations, allowing to quickly obtain the inversed model of hysteresis. The inversed model was further used for compensation of a non-saturated hysteresis of the piezo bender actuator and results have also been presented in the paper.

Pairwise Interaction Extended Point-Particle (PIEP) model for multiphase jets and sedimenting particles

NASA Astrophysics Data System (ADS)

Liu, Kai; Balachandar, S.

2017-11-01

We perform a series of Euler-Lagrange direct numerical simulations (DNS) for multiphase jets and sedimenting particles. The forces the flow exerts on the particles in these two-way coupled simulations are computed using the Basset-Bousinesq-Oseen (BBO) equations. These forces do not explicitly account for particle-particle interactions, even though such pairwise interactions induced by the perturbations from neighboring particles may be important especially when the particle volume fraction is high. Such effects have been largely unaddressed in the literature. Here, we implement the Pairwise Interaction Extended Point-Particle (PIEP) model to simulate the effect of neighboring particle pairs. A simple collision model is also applied to avoid unphysical overlapping of solid spherical particles. The simulation results indicate that the PIEP model provides a more elaborative and complicated movement of the dispersed phase (droplets and particles). Office of Naval Research (ONR) Multidisciplinary University Research Initiative (MURI) project N00014-16-1-2617.

Fast Simulation of the Impact Parameter Calculation of Electrons through Pair Production

NASA Astrophysics Data System (ADS)

Bang, Hyesun; Kweon, MinJung; Huh, Kyoung Bum; Pachmayer, Yvonne

2018-05-01

A fast simulation method is introduced that reduces tremendously the time required for the impact parameter calculation, a key observable in physics analyses of high energy physics experiments and detector optimisation studies. The impact parameter of electrons produced through pair production was calculated considering key related processes using the Bethe-Heitler formula, the Tsai formula and a simple geometric model. The calculations were performed at various conditions and the results were compared with those from full GEANT4 simulations. The computation time using this fast simulation method is 104 times shorter than that of the full GEANT4 simulation.

SiC-VJFETs power switching devices: an improved model and parameter optimization technique

NASA Astrophysics Data System (ADS)

Ben Salah, T.; Lahbib, Y.; Morel, H.

2009-12-01

Silicon carbide junction field effect transistor (SiC-JFETs) is a mature power switch newly applied in several industrial applications. SiC-JFETs are often simulated by Spice model in order to predict their electrical behaviour. Although such a model provides sufficient accuracy for some applications, this paper shows that it presents serious shortcomings in terms of the neglect of the body diode model, among many others in circuit model topology. Simulation correction is then mandatory and a new model should be proposed. Moreover, this paper gives an enhanced model based on experimental dc and ac data. New devices are added to the conventional circuit model giving accurate static and dynamic behaviour, an effect not accounted in the Spice model. The improved model is implemented into VHDL-AMS language and steady-state dynamic and transient responses are simulated for many SiC-VJFETs samples. Very simple and reliable optimization algorithm based on the optimization of a cost function is proposed to extract the JFET model parameters. The obtained parameters are verified by comparing errors between simulations results and experimental data.

A proposed mathematical model for sleep patterning.

PubMed

Lawder, R E

1984-01-01

The simple model of a ramp, intersecting a triangular waveform, yields results which conform with seven generalized observations of sleep patterning; including the progressive lengthening of 'rapid-eye-movement' (REM) sleep periods within near-constant REM/nonREM cycle periods. Predicted values of REM sleep time, and of Stage 3/4 nonREM sleep time, can be computed using the observed values of other parameters. The distributions of the actual REM and Stage 3/4 times relative to the predicted values were closer to normal than the distributions relative to simple 'best line' fits. It was found that sleep onset tends to occur at a particular moment in the individual subject's '90-min cycle' (the use of a solar time-scale masks this effect), which could account for a subject with a naturally short sleep/wake cycle synchronizing to a 24-h rhythm. A combined 'sleep control system' model offers quantitative simulation of the sleep patterning of endogenous depressives and, with a different perturbation, qualitative simulation of the symptoms of narcolepsy.

Percolation model for a selective response of the resistance of composite semiconducting np systems with respect to reducing gases.

PubMed

Russ, Stefanie

2014-08-01

It is shown that a two-component percolation model on a simple cubic lattice can explain an experimentally observed behavior [Savage et al., Sens. Actuators B 79, 17 (2001); Sens. Actuators B 72, 239 (2001).], namely, that a network built up by a mixture of sintered nanocrystalline semiconducting n and p grains can exhibit selective behavior, i.e., respond with a resistance increase when exposed to a reducing gas A and with a resistance decrease in response to another reducing gas B. To this end, a simple model is developed, where the n and p grains are simulated by overlapping spheres, based on realistic assumptions about the gas reactions on the grain surfaces. The resistance is calculated by random walk simulations with nn, pp, and np bonds between the grains, and the results are found in very good agreement with the experiments. Contrary to former assumptions, the np bonds are crucial to obtain this accordance.

Simple heuristics and rules of thumb: where psychologists and behavioural biologists might meet.

PubMed

Hutchinson, John M C; Gigerenzer, Gerd

2005-05-31

The Centre for Adaptive Behaviour and Cognition (ABC) has hypothesised that much human decision-making can be described by simple algorithmic process models (heuristics). This paper explains this approach and relates it to research in biology on rules of thumb, which we also review. As an example of a simple heuristic, consider the lexicographic strategy of Take The Best for choosing between two alternatives: cues are searched in turn until one discriminates, then search stops and all other cues are ignored. Heuristics consist of building blocks, and building blocks exploit evolved or learned abilities such as recognition memory; it is the complexity of these abilities that allows the heuristics to be simple. Simple heuristics have an advantage in making decisions fast and with little information, and in avoiding overfitting. Furthermore, humans are observed to use simple heuristics. Simulations show that the statistical structures of different environments affect which heuristics perform better, a relationship referred to as ecological rationality. We contrast ecological rationality with the stronger claim of adaptation. Rules of thumb from biology provide clearer examples of adaptation because animals can be studied in the environments in which they evolved. The range of examples is also much more diverse. To investigate them, biologists have sometimes used similar simulation techniques to ABC, but many examples depend on empirically driven approaches. ABC's theoretical framework can be useful in connecting some of these examples, particularly the scattered literature on how information from different cues is integrated. Optimality modelling is usually used to explain less detailed aspects of behaviour but might more often be redirected to investigate rules of thumb.

Fiber Composite Sandwich Thermostructural Behavior: Computational Simulation

NASA Technical Reports Server (NTRS)

Chamis, C. C.; Aiello, R. A.; Murthy, P. L. N.

1986-01-01

Several computational levels of progressive sophistication/simplification are described to computationally simulate composite sandwich hygral, thermal, and structural behavior. The computational levels of sophistication include: (1) three-dimensional detailed finite element modeling of the honeycomb, the adhesive and the composite faces; (2) three-dimensional finite element modeling of the honeycomb assumed to be an equivalent continuous, homogeneous medium, the adhesive and the composite faces; (3) laminate theory simulation where the honeycomb (metal or composite) is assumed to consist of plies with equivalent properties; and (4) derivations of approximate, simplified equations for thermal and mechanical properties by simulating the honeycomb as an equivalent homogeneous medium. The approximate equations are combined with composite hygrothermomechanical and laminate theories to provide a simple and effective computational procedure for simulating the thermomechanical/thermostructural behavior of fiber composite sandwich structures.

Nonlinear Dynamic Inversion Baseline Control Law: Flight-Test Results for the Full-scale Advanced Systems Testbed F/A-18 Airplane

NASA Technical Reports Server (NTRS)

Miller, Christopher J.

2011-01-01

A model reference nonlinear dynamic inversion control law has been developed to provide a baseline controller for research into simple adaptive elements for advanced flight control laws. This controller has been implemented and tested in a hardware-in-the-loop simulation and in flight. The flight results agree well with the simulation predictions and show good handling qualities throughout the tested flight envelope with some noteworthy deficiencies highlighted both by handling qualities metrics and pilot comments. Many design choices and implementation details reflect the requirements placed on the system by the nonlinear flight environment and the desire to keep the system as simple as possible to easily allow the addition of the adaptive elements. The flight-test results and how they compare to the simulation predictions are discussed, along with a discussion about how each element affected pilot opinions. Additionally, aspects of the design that performed better than expected are presented, as well as some simple improvements that will be suggested for follow-on work.

Dynamic modeling of wheeled planetary rovers: A model based on the pseudo-coordiates approach

NASA Astrophysics Data System (ADS)

Chen, Feng; Genta, Giancarlo

2012-12-01

The paper deals with the dynamic modeling of wheeled planetary rovers operating on rough terrain. The dedicated model here presented, although kept as simple as possible, includes the effect of nonlinearities and models the suspensions in a realistic, albeit simplified, way. It can be interfaced with a model of the control system so that different control strategies can be studied in detail and, in case of teleoperated rovers, it can be used as a simulator for training the operators. Different implementations, with different degrees of complexity, are presented and compared with each other so that the user can simulate the dynamics of the rover making a tradeoff between simulation accuracy and computer time. The model allows to study the effects of the terrain characteristics, of the ground irregularities and the operating speed on the behavior of the rover. Some examples dealing with rovers with different configurations conclude the paper.

Simple liquid models with corrected dielectric constants

PubMed Central

Fennell, Christopher J.; Li, Libo; Dill, Ken A.

2012-01-01

Molecular simulations often use explicit-solvent models. Sometimes explicit-solvent models can give inaccurate values for basic liquid properties, such as the density, heat capacity, and permittivity, as well as inaccurate values for molecular transfer free energies. Such errors have motivated the development of more complex solvents, such as polarizable models. We describe an alternative here. We give new fixed-charge models of solvents for molecular simulations – water, carbon tetrachloride, chloroform and dichloromethane. Normally, such solvent models are parameterized to agree with experimental values of the neat liquid density and enthalpy of vaporization. Here, in addition to those properties, our parameters are chosen to give the correct dielectric constant. We find that these new parameterizations also happen to give better values for other properties, such as the self-diffusion coefficient. We believe that parameterizing fixed-charge solvent models to fit experimental dielectric constants may provide better and more efficient ways to treat solvents in computer simulations. PMID:22397577

App Usage Factor: A Simple Metric to Compare the Population Impact of Mobile Medical Apps.

PubMed

Lewis, Thomas Lorchan; Wyatt, Jeremy C

2015-08-19

One factor when assessing the quality of mobile apps is quantifying the impact of a given app on a population. There is currently no metric which can be used to compare the population impact of a mobile app across different health care disciplines. The objective of this study is to create a novel metric to characterize the impact of a mobile app on a population. We developed the simple novel metric, app usage factor (AUF), defined as the logarithm of the product of the number of active users of a mobile app with the median number of daily uses of the app. The behavior of this metric was modeled using simulated modeling in Python, a general-purpose programming language. Three simulations were conducted to explore the temporal and numerical stability of our metric and a simulated app ecosystem model using a simulated dataset of 20,000 apps. Simulations confirmed the metric was stable between predicted usage limits and remained stable at extremes of these limits. Analysis of a simulated dataset of 20,000 apps calculated an average value for the app usage factor of 4.90 (SD 0.78). A temporal simulation showed that the metric remained stable over time and suitable limits for its use were identified. A key component when assessing app risk and potential harm is understanding the potential population impact of each mobile app. Our metric has many potential uses for a wide range of stakeholders in the app ecosystem, including users, regulators, developers, and health care professionals. Furthermore, this metric forms part of the overall estimate of risk and potential for harm or benefit posed by a mobile medical app. We identify the merits and limitations of this metric, as well as potential avenues for future validation and research.

Dose Titration Algorithm Tuning (DTAT) should supersede 'the' Maximum Tolerated Dose (MTD) in oncology dose-finding trials.

PubMed

Norris, David C

2017-01-01

Background . Absent adaptive, individualized dose-finding in early-phase oncology trials, subsequent 'confirmatory' Phase III trials risk suboptimal dosing, with resulting loss of statistical power and reduced probability of technical success for the investigational therapy. While progress has been made toward explicitly adaptive dose-finding and quantitative modeling of dose-response relationships, most such work continues to be organized around a concept of 'the' maximum tolerated dose (MTD). The purpose of this paper is to demonstrate concretely how the aim of early-phase trials might be conceived, not as 'dose-finding', but as dose titration algorithm (DTA) -finding. Methods. A Phase I dosing study is simulated, for a notional cytotoxic chemotherapy drug, with neutropenia constituting the critical dose-limiting toxicity. The drug's population pharmacokinetics and myelosuppression dynamics are simulated using published parameter estimates for docetaxel. The amenability of this model to linearization is explored empirically. The properties of a simple DTA targeting neutrophil nadir of 500 cells/mm 3 using a Newton-Raphson heuristic are explored through simulation in 25 simulated study subjects. Results. Individual-level myelosuppression dynamics in the simulation model approximately linearize under simple transformations of neutrophil concentration and drug dose. The simulated dose titration exhibits largely satisfactory convergence, with great variance in individualized optimal dosing. Some titration courses exhibit overshooting. Conclusions. The large inter-individual variability in simulated optimal dosing underscores the need to replace 'the' MTD with an individualized concept of MTD i . To illustrate this principle, the simplest possible DTA capable of realizing such a concept is demonstrated. Qualitative phenomena observed in this demonstration support discussion of the notion of tuning such algorithms. Although here illustrated specifically in relation to cytotoxic chemotherapy, the DTAT principle appears similarly applicable to Phase I studies of cancer immunotherapy and molecularly targeted agents.

ANALYSIS OF METHODS FOR DETECTING THE PROXIMITY EFFECT IN QUASAR SPECTRA

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

Dall'Aglio, Aldo; Gnedin, Nickolay Y., E-mail: adaglio@aip.d

Using numerical simulations of structure formation, we investigate several methods for determining the strength of the proximity effect in the H I Ly{alpha} forest. We analyze three high-resolution ({approx}10 kpc) redshift snapshots (z-bar=4,3, and 2.25) of a Hydro-Particle-Mesh simulation to obtain realistic absorption spectra of the H I Ly{alpha} forest. We model the proximity effect along the simulated sight lines with a simple analytical prescription based on the assumed quasar luminosity and the intensity of the cosmic UV background (UVB). We begin our analysis investigating the intrinsic biases thought to arise in the widely adopted standard technique of combining multiplemore » lines of sight when searching for the proximity effect. We confirm the existence of these biases, albeit smaller than previously predicted with simple Monte Carlo simulations. We then concentrate on the analysis of the proximity effect along individual lines of sight. After determining its strength with a fiducial value of the UVB intensity, we construct the proximity effect strength distribution (PESD). We confirm that the PESD inferred from the simple averaging technique accurately recovers the input strength of the proximity effect at all redshifts. Moreover, the PESD closely follows the behaviors found in observed samples of quasar spectra. However, the PESD obtained from our new simulated sight lines presents some differences to that of simple Monte Carlo simulations. At all redshifts, we find a smaller dispersion of the strength parameters, the source of the corresponding smaller biases found when combining multiple lines of sight. After developing three new theoretical methods for recovering the strength of the proximity effect on individual lines of sight, we compare their accuracy to the PESD from the simple averaging technique. All our new approaches are based on the maximization of the likelihood function, albeit invoking some modifications. The new techniques presented here, in spite of their complexity, fail to recover the input proximity effect in an unbiased way, presumably due to some (unknown) higher order correlations in the spectrum. Thus, employing complex three-dimensional simulations, we provide strong evidence in favor of the PESD obtained from the simple averaging technique, as a method of estimating the UVB intensity, free of any intrinsic biases.« less

Scaled boundary finite element simulation and modeling of the mechanical behavior of cracked nanographene sheets

NASA Astrophysics Data System (ADS)

Honarmand, M.; Moradi, M.

2018-06-01

In this paper, by using scaled boundary finite element method (SBFM), a perfect nanographene sheet or cracked ones were simulated for the first time. In this analysis, the atomic carbon bonds were modeled by simple bar elements with circular cross-sections. Despite of molecular dynamics (MD), the results obtained from SBFM analysis are quite acceptable for zero degree cracks. For all angles except zero, Griffith criterion can be applied for the relation between critical stress and crack length. Finally, despite the simplifications used in nanographene analysis, obtained results can simulate the mechanical behavior with high accuracy compared with experimental and MD ones.

Micromagnetic simulation study of a disordered model for one-dimensional granular perovskite manganite oxide nanostructures

NASA Astrophysics Data System (ADS)

Longone, P.; Romá, F.

2018-06-01

Chemical techniques are an efficient method to synthesize one-dimensional perovskite manganite oxide nanostructures with a granular morphology, that is, formed by arrays of monodomain magnetic nanoparticles. Integrating the stochastic Landau-Lifshitz-Gilbert equation, we simulate the dynamics of a simple disordered model for such materials that only takes into account the morphological characteristics of their nanograins. We show that it is possible to describe reasonably well experimental hysteresis loops reported in the literature for single La0.67Ca0.33MnO3 nanotubes and powders of these nanostructures, simulating small systems consisting of only 100 nanoparticles.

Local rules simulation of the kinetics of virus capsid self-assembly.

PubMed

Schwartz, R; Shor, P W; Prevelige, P E; Berger, B

1998-12-01

A computer model is described for studying the kinetics of the self-assembly of icosahedral viral capsids. Solution of this problem is crucial to an understanding of the viral life cycle, which currently cannot be adequately addressed through laboratory techniques. The abstract simulation model employed to address this is based on the local rules theory of. Proc. Natl. Acad. Sci. USA. 91:7732-7736). It is shown that the principle of local rules, generalized with a model of kinetics and other extensions, can be used to simulate complicated problems in self-assembly. This approach allows for a computationally tractable molecular dynamics-like simulation of coat protein interactions while retaining many relevant features of capsid self-assembly. Three simple simulation experiments are presented to illustrate the use of this model. These show the dependence of growth and malformation rates on the energetics of binding interactions, the tolerance of errors in binding positions, and the concentration of subunits in the examples. These experiments demonstrate a tradeoff within the model between growth rate and fidelity of assembly for the three parameters. A detailed discussion of the computational model is also provided.

A heuristic simulation model of Lake Ontario circulation and mass balance transport

USGS Publications Warehouse

McKenna, J.E.; Chalupnicki, M.A.

2011-01-01

The redistribution of suspended organisms and materials by large-scale currents is part of natural ecological processes in large aquatic systems but can contribute to ecosystem disruption when exotic elements are introduced into the system. Toxic compounds and planktonic organisms spend various lengths of time in suspension before settling to the bottom or otherwise being removed. We constructed a simple physical simulation model, including the influence of major tributaries, to qualitatively examine circulation patterns in Lake Ontario. We used a simple mass balance approach to estimate the relative water input to and export from each of 10 depth regime-specific compartments (nearshore vs. offshore) comprising Lake Ontario. Despite its simplicity, our model produced circulation patterns similar to those reported by more complex studies in the literature. A three-gyre pattern, with the classic large counterclockwise central lake circulation, and a simpler two-gyre system were both observed. These qualitative simulations indicate little offshore transport along the south shore, except near the mouths of the Niagara River and Oswego River. Complex flow structure was evident, particularly near the Niagara River mouth and in offshore waters of the eastern basin. Average Lake Ontario residence time is 8 years, but the fastest model pathway indicated potential transport of plankton through the lake in as little as 60 days. This simulation illustrates potential invasion pathways and provides rough estimates of planktonic larval dispersal or chemical transport among nearshore and offshore areas of Lake Ontario. ?? 2011 Taylor & Francis.

Analysis of hardening behavior of sheet metals by a new simple shear test method taking into account the Bauschinger effect

NASA Astrophysics Data System (ADS)

Bang, Sungsik; Rickhey, Felix; Kim, Minsoo; Lee, Hyungyil; Kim, Naksoo

2013-12-01

In this study we establish a process to predict hardening behavior considering the Bauschinger effect for zircaloy-4 sheets. When a metal is compressed after tension in forming, the yield strength decreases. For this reason, the Bauschinger effect should be considered in FE simulations of spring-back. We suggested a suitable specimen size and a method for determining the optimum tightening torque for simple shear tests. Shear stress-strain curves are obtained for five materials. We developed a method to convert the shear load-displacement curve to the effective stress-strain curve with FEA. We simulated the simple shear forward/reverse test using the combined isotropic/kinematic hardening model. We also investigated the change of the load-displacement curve by varying the hardening coefficients. We determined the hardening coefficients so that they follow the hardening behavior of zircaloy-4 in experiments.

Aggregate age-at-marriage patterns from individual mate-search heuristics.

PubMed

Todd, Peter M; Billari, Francesco C; Simão, Jorge

2005-08-01

The distribution of age at first marriage shows well-known strong regularities across many countries and recent historical periods. We accounted for these patterns by developing agent-based models that simulate the aggregate behavior of individuals who are searching for marriage partners. Past models assumed fully rational agents with complete knowledge of the marriage market; our simulated agents used psychologically plausible simple heuristic mate search rules that adjust aspiration levels on the basis of a sequence of encounters with potential partners. Substantial individual variation must be included in the models to account for the demographically observed age-at-marriage patterns.

Coupled electromagnetic-thermodynamic simulations of microwave heating problems using the FDTD algorithm.

PubMed

Kopyt, Paweł; Celuch, Małgorzata

2007-01-01

A practical implementation of a hybrid simulation system capable of modeling coupled electromagnetic-thermodynamic problems typical in microwave heating is described. The paper presents two approaches to modeling such problems. Both are based on an FDTD-based commercial electromagnetic solver coupled to an external thermodynamic analysis tool required for calculations of heat diffusion. The first approach utilizes a simple FDTD-based thermal solver while in the second it is replaced by a universal commercial CFD solver. The accuracy of the two modeling systems is verified against the original experimental data as well as the measurement results available in literature.

A high-resolution conceptual model for diffuse organic micropollutant loads in streams

NASA Astrophysics Data System (ADS)

Stamm, Christian; Honti, Mark; Ghielmetti, Nico

2013-04-01

The ecological state of surface waters has become the dominant aspect in water quality assessments. Toxicity is a key determinant of the ecological state, but organic micropollutants (OMP) are seldom monitored with the same spatial and temporal frequency as for example nutrients, mainly due the demanding analytical methods and costs. However, diffuse transport pathways are at least equally complex for OMPs as for nutrients and there are still significant knowledge gaps. Moreover, concentrations of the different compounds would need to be known with fairly high temporal resolution because acute toxicity can be as important as the chronic one. Fully detailed mechanistic models of diffuse OMP loads require an immense set of site-specific knowledge and are rarely applicable for catchments lacking an exceptional monitoring coverage. Simple empirical methods are less demanding but usually work with more temporal aggregation and that's why they have limited possibilities to support the estimation of the ecological state. This study presents a simple conceptual model that aims to simulate the concentrations of selected organic micropollutants with daily resolution at 11 locations in the stream network of a small catchment (46 km2). The prerequisite is a known hydrological and meteorological background (daily discharge, precipitation and air temperature time series), a land use map and some historic measurements of the desired compounds. The model is conceptual in the sense that all important diffuse transport pathways are simulated separately, but each with a simple empirical process rate. Consequently, some site-specific observations are required to calibrate the model, but afterwards the model can be used for forecasting and scenario analysis as the calibrated process rates typically describe invariant properties of the catchment. We simulated 6 different OMPs from the categories of agricultural and urban pesticides and urban biocides. The application of agricultural pesticides was also simulated with the model using a heat-sum approach. Calibration was carried out with weekly aggregated samples covering the growing season in 2 years. The model could reproduce the observed OMP concentrations with varying success. Compounds that are less persistent in the environment and thus have a dominant temporal dynamics (pesticides with a short half-life) could be simulated in general better than the persistent ones. For the latter group the relatively stable available stock meant that there were no clear seasonal dynamics, which revealed that transport processes are quite uncertain even when daily rainfall is used as the main driver. Nevertheless the daily concentration distribution could still be simulated with higher accuracy than the individual peaks. Thus we can model the concentration-duration relationship for daily resolution in an acceptable way for each compound.

A Course for All Students: Foundations of Modern Engineering

ERIC Educational Resources Information Center

Best, Charles L.

1971-01-01

Describes a course for non-engineering students at Lafayette College which includes the design process in a project. Also included are the study of modeling, optimization, simulation, computer application, and simple feedback controls. (Author/TS)

Isostasy for Geoscience Labs.

ERIC Educational Resources Information Center

Diecchio, Richard Joseph

1995-01-01

Presents simple laboratory experiments to help students understand the principle of buoyancy and mass balance. Buoyancy experiments can simulate lithospheric mass balance, crustal loading and unloading, and can be used to model differences between the oceanic and continental lithosphere. (MKR)

New analytic results for speciation times in neutral models.

PubMed

Gernhard, Tanja

2008-05-01

In this paper, we investigate the standard Yule model, and a recently studied model of speciation and extinction, the "critical branching process." We develop an analytic way-as opposed to the common simulation approach-for calculating the speciation times in a reconstructed phylogenetic tree. Simple expressions for the density and the moments of the speciation times are obtained. Methods for dating a speciation event become valuable, if for the reconstructed phylogenetic trees, no time scale is available. A missing time scale could be due to supertree methods, morphological data, or molecular data which violates the molecular clock. Our analytic approach is, in particular, useful for the model with extinction, since simulations of birth-death processes which are conditioned on obtaining n extant species today are quite delicate. Further, simulations are very time consuming for big n under both models.

High performance cellular level agent-based simulation with FLAME for the GPU.

PubMed

Richmond, Paul; Walker, Dawn; Coakley, Simon; Romano, Daniela

2010-05-01

Driven by the availability of experimental data and ability to simulate a biological scale which is of immediate interest, the cellular scale is fast emerging as an ideal candidate for middle-out modelling. As with 'bottom-up' simulation approaches, cellular level simulations demand a high degree of computational power, which in large-scale simulations can only be achieved through parallel computing. The flexible large-scale agent modelling environment (FLAME) is a template driven framework for agent-based modelling (ABM) on parallel architectures ideally suited to the simulation of cellular systems. It is available for both high performance computing clusters (www.flame.ac.uk) and GPU hardware (www.flamegpu.com) and uses a formal specification technique that acts as a universal modelling format. This not only creates an abstraction from the underlying hardware architectures, but avoids the steep learning curve associated with programming them. In benchmarking tests and simulations of advanced cellular systems, FLAME GPU has reported massive improvement in performance over more traditional ABM frameworks. This allows the time spent in the development and testing stages of modelling to be drastically reduced and creates the possibility of real-time visualisation for simple visual face-validation.

Computer simulations of sympatric speciation in a simple food web

NASA Astrophysics Data System (ADS)

Luz-Burgoa, K.; Dell, Tony; de Oliveira, S. Moss

2005-07-01

Galapagos finches, have motivated much theoretical research aimed at understanding the processes associated with the formation of the species. Inspired by them, in this paper we investigate the process of sympatric speciation in a simple food web model. For that we modify the individual-based Penna model that has been widely used to study aging as well as other evolutionary processes. Initially, our web consists of a primary food source and a single herbivore species that feeds on this resource. Subsequently we introduce a predator that feeds on the herbivore. In both instances we manipulate directly a basal resource distribution and monitor the changes in the populations. Sympatric speciation is obtained for the top species in both cases, and our results suggest that the speciation velocity depends on how far up, in the food chain, the focus population is feeding. Simulations are done with three different sexual imprintinglike mechanisms, in order to discuss adaptation by natural selection.

Simple stochastic simulation.

PubMed

Schilstra, Maria J; Martin, Stephen R

2009-01-01

Stochastic simulations may be used to describe changes with time of a reaction system in a way that explicitly accounts for the fact that molecules show a significant degree of randomness in their dynamic behavior. The stochastic approach is almost invariably used when small numbers of molecules or molecular assemblies are involved because this randomness leads to significant deviations from the predictions of the conventional deterministic (or continuous) approach to the simulation of biochemical kinetics. Advances in computational methods over the three decades that have elapsed since the publication of Daniel Gillespie's seminal paper in 1977 (J. Phys. Chem. 81, 2340-2361) have allowed researchers to produce highly sophisticated models of complex biological systems. However, these models are frequently highly specific for the particular application and their description often involves mathematical treatments inaccessible to the nonspecialist. For anyone completely new to the field to apply such techniques in their own work might seem at first sight to be a rather intimidating prospect. However, the fundamental principles underlying the approach are in essence rather simple, and the aim of this article is to provide an entry point to the field for a newcomer. It focuses mainly on these general principles, both kinetic and computational, which tend to be not particularly well covered in specialist literature, and shows that interesting information may even be obtained using very simple operations in a conventional spreadsheet.

Analysis and Modeling of the Arctic Oscillation Using a Simple Barotropic Model with Baroclinic Eddy Forcing.

NASA Astrophysics Data System (ADS)

Tanaka, H. L.

2003-06-01

In this study, a numerical simulation of the Arctic Oscillation (AO) is conducted using a simple barotropic model that considers the barotropic-baroclinic interactions as the external forcing. The model is referred to as a barotropic S model since the external forcing is obtained statistically from the long-term historical data, solving an inverse problem. The barotropic S model has been integrated for 51 years under a perpetual January condition and the dominant empirical orthogonal function (EOF) modes in the model have been analyzed. The results are compared with the EOF analysis of the barotropic component of the real atmosphere based on the daily NCEP-NCAR reanalysis for 50 yr from 1950 to 1999.According to the result, the first EOF of the model atmosphere appears to be the AO similar to the observation. The annular structure of the AO and the two centers of action at Pacific and Atlantic are simulated nicely by the barotropic S model. Therefore, the atmospheric low-frequency variabilities have been captured satisfactorily even by the simple barotropic model.The EOF analysis is further conducted to the external forcing of the barotropic S model. The structure of the dominant forcing shows the characteristics of synoptic-scale disturbances of zonal wavenumber 6 along the Pacific storm track. The forcing is induced by the barotropic-baroclinic interactions associated with baroclinic instability.The result suggests that the AO can be understood as the natural variability of the barotropic component of the atmosphere induced by the inherent barotropic dynamics, which is forced by the barotropic-baroclinic interactions. The fluctuating upscale energy cascade from planetary waves and synoptic disturbances to the zonal motion plays the key role for the excitation of the AO.

Atmospheric density models

NASA Technical Reports Server (NTRS)

Mueller, A. C.

1977-01-01

An atmospheric model developed by Jacchia, quite accurate but requiring a large amount of computer storage and execution time, was found to be ill-suited for the space shuttle onboard program. The development of a simple atmospheric density model to simulate the Jacchia model was studied. Required characteristics including variation with solar activity, diurnal variation, variation with geomagnetic activity, semiannual variation, and variation with height were met by the new atmospheric density model.

Linear regression metamodeling as a tool to summarize and present simulation model results.

PubMed

Jalal, Hawre; Dowd, Bryan; Sainfort, François; Kuntz, Karen M

2013-10-01

Modelers lack a tool to systematically and clearly present complex model results, including those from sensitivity analyses. The objective was to propose linear regression metamodeling as a tool to increase transparency of decision analytic models and better communicate their results. We used a simplified cancer cure model to demonstrate our approach. The model computed the lifetime cost and benefit of 3 treatment options for cancer patients. We simulated 10,000 cohorts in a probabilistic sensitivity analysis (PSA) and regressed the model outcomes on the standardized input parameter values in a set of regression analyses. We used the regression coefficients to describe measures of sensitivity analyses, including threshold and parameter sensitivity analyses. We also compared the results of the PSA to deterministic full-factorial and one-factor-at-a-time designs. The regression intercept represented the estimated base-case outcome, and the other coefficients described the relative parameter uncertainty in the model. We defined simple relationships that compute the average and incremental net benefit of each intervention. Metamodeling produced outputs similar to traditional deterministic 1-way or 2-way sensitivity analyses but was more reliable since it used all parameter values. Linear regression metamodeling is a simple, yet powerful, tool that can assist modelers in communicating model characteristics and sensitivity analyses.

A simple integrated assessment approach to global change simulation and evaluation

NASA Astrophysics Data System (ADS)

Ogutu, Keroboto; D'Andrea, Fabio; Ghil, Michael

2016-04-01

We formulate and study the Coupled Climate-Economy-Biosphere (CoCEB) model, which constitutes the basis of our idealized integrated assessment approach to simulating and evaluating global change. CoCEB is composed of a physical climate module, based on Earth's energy balance, and an economy module that uses endogenous economic growth with physical and human capital accumulation. A biosphere model is likewise under study and will be coupled to the existing two modules. We concentrate on the interactions between the two subsystems: the effect of climate on the economy, via damage functions, and the effect of the economy on climate, via a control of the greenhouse gas emissions. Simple functional forms of the relation between the two subsystems permit simple interpretations of the coupled effects. The CoCEB model is used to make hypotheses on the long-term effect of investment in emission abatement, and on the comparative efficacy of different approaches to abatement, in particular by investing in low carbon technology, in deforestation reduction or in carbon capture and storage (CCS). The CoCEB model is very flexible and transparent, and it allows one to easily formulate and compare different functional representations of climate change mitigation policies. Using different mitigation measures and their cost estimates, as found in the literature, one is able to compare these measures in a coherent way.

Experimental Study of Cement - Sandstone/Shale - Brine - CO2 Interactions

PubMed Central

2011-01-01

Background Reactive-transport simulation is a tool that is being used to estimate long-term trapping of CO2, and wellbore and cap rock integrity for geologic CO2 storage. We reacted end member components of a heterolithic sandstone and shale unit that forms the upper section of the In Salah Gas Project carbon storage reservoir in Krechba, Algeria with supercritical CO2, brine, and with/without cement at reservoir conditions to develop experimentally constrained geochemical models for use in reactive transport simulations. Results We observe marked changes in solution composition when CO2 reacted with cement, sandstone, and shale components at reservoir conditions. The geochemical model for the reaction of sandstone and shale with CO2 and brine is a simple one in which albite, chlorite, illite and carbonate minerals partially dissolve and boehmite, smectite, and amorphous silica precipitate. The geochemical model for the wellbore environment is also fairly simple, in which alkaline cements and rock react with CO2-rich brines to form an Fe containing calcite, amorphous silica, smectite and boehmite or amorphous Al(OH)3. Conclusions Our research shows that relatively simple geochemical models can describe the dominant reactions that are likely to occur when CO2 is stored in deep saline aquifers sealed with overlying shale cap rocks, as well as the dominant reactions for cement carbonation at the wellbore interface. PMID:22078161

Accurate thermodynamics for short-ranged truncations of Coulomb interactions in site-site molecular models

NASA Astrophysics Data System (ADS)

Rodgers, Jocelyn M.; Weeks, John D.

2009-12-01

Coulomb interactions are present in a wide variety of all-atom force fields. Spherical truncations of these interactions permit fast simulations but are problematic due to their incorrect thermodynamics. Herein we demonstrate that simple analytical corrections for the thermodynamics of uniform truncated systems are possible. In particular, results for the simple point charge/extended (SPC/E) water model treated with spherically truncated Coulomb interactions suggested by local molecular field theory [J. M. Rodgers and J. D. Weeks, Proc. Natl. Acad. Sci. U.S.A. 105, 19136 (2008)] are presented. We extend the results developed by Chandler [J. Chem. Phys. 65, 2925 (1976)] so that we may treat the thermodynamics of mixtures of flexible charged and uncharged molecules simulated with spherical truncations. We show that the energy and pressure of spherically truncated bulk SPC/E water are easily corrected using exact second-moment-like conditions on long-ranged structure. Furthermore, applying the pressure correction as an external pressure removes the density errors observed by other research groups in NPT simulations of spherically truncated bulk species.

A simulation assessment of the thermodynamics of dense ion-dipole mixtures with polarization

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

Bastea, Sorin, E-mail: sbastea@llnl.gov

Molecular dynamics (MD) simulations are employed to ascertain the relative importance of various electrostatic interaction contributions, including induction interactions, to the thermodynamics of dense, hot ion-dipole mixtures. In the absence of polarization, we find that an MD-constrained free energy term accounting for the ion-dipole interactions, combined with well tested ionic and dipolar contributions, yields a simple, fairly accurate free energy form that may be a better option for describing the thermodynamics of such mixtures than the mean spherical approximation (MSA). Polarization contributions induced by the presence of permanent dipoles and ions are found to be additive to a good approximation,more » simplifying the thermodynamic modeling. We suggest simple free energy corrections that account for these two effects, based in part on standard perturbative treatments and partly on comparisons with MD simulation. Even though the proposed approximations likely need further study, they provide a first quantitative assessment of polarization contributions at high densities and temperatures and may serve as a guide for future modeling efforts.« less

Monostatic Radar Cross Section Estimation of Missile Shaped Object Using Physical Optics Method

NASA Astrophysics Data System (ADS)

Sasi Bhushana Rao, G.; Nambari, Swathi; Kota, Srikanth; Ranga Rao, K. S.

2017-08-01

Stealth Technology manages many signatures for a target in which most radar systems use radar cross section (RCS) for discriminating targets and classifying them with regard to Stealth. During a war target’s RCS has to be very small to make target invisible to enemy radar. In this study, Radar Cross Section of perfectly conducting objects like cylinder, truncated cone (frustum) and circular flat plate is estimated with respect to parameters like size, frequency and aspect angle. Due to the difficulties in exactly predicting the RCS, approximate methods become the alternative. Majority of approximate methods are valid in optical region and where optical region has its own strengths and weaknesses. Therefore, the analysis given in this study is purely based on far field monostatic RCS measurements in the optical region. Computation is done using Physical Optics (PO) method for determining RCS of simple models. In this study not only the RCS of simple models but also missile shaped and rocket shaped models obtained from the cascaded objects with backscatter has been computed using Matlab simulation. Rectangular plots are obtained for RCS in dbsm versus aspect angle for simple and missile shaped objects using Matlab simulation. Treatment of RCS, in this study is based on Narrow Band.

A Generalized Simple Formulation of Convective Adjustment ...

EPA Pesticide Factsheets

Convective adjustment timescale (τ) for cumulus clouds is one of the most influential parameters controlling parameterized convective precipitation in climate and weather simulation models at global and regional scales. Due to the complex nature of deep convection, a prescribed value or ad hoc representation of τ is used in most global and regional climate/weather models making it a tunable parameter and yet still resulting in uncertainties in convective precipitation simulations. In this work, a generalized simple formulation of τ for use in any convection parameterization for shallow and deep clouds is developed to reduce convective precipitation biases at different grid spacing. Unlike existing other methods, our new formulation can be used with field campaign measurements to estimate τ as demonstrated by using data from two different special field campaigns. Then, we implemented our formulation into a regional model (WRF) for testing and evaluation. Results indicate that our simple τ formulation can give realistic temporal and spatial variations of τ across continental U.S. as well as grid-scale and subgrid scale precipitation. We also found that as the grid spacing decreases (e.g., from 36 to 4-km grid spacing), grid-scale precipitation dominants over subgrid-scale precipitation. The generalized τ formulation works for various types of atmospheric conditions (e.g., continental clouds due to heating and large-scale forcing over la

Simulating fail-stop in asynchronous distributed systems

NASA Technical Reports Server (NTRS)

Sabel, Laura; Marzullo, Keith

1994-01-01

The fail-stop failure model appears frequently in the distributed systems literature. However, in an asynchronous distributed system, the fail-stop model cannot be implemented. In particular, it is impossible to reliably detect crash failures in an asynchronous system. In this paper, we show that it is possible to specify and implement a failure model that is indistinguishable from the fail-stop model from the point of view of any process within an asynchronous system. We give necessary conditions for a failure model to be indistinguishable from the fail-stop model, and derive lower bounds on the amount of process replication needed to implement such a failure model. We present a simple one-round protocol for implementing one such failure model, which we call simulated fail-stop.

Simulation of variation of apparent resistivity in resistivity surveys using finite difference modelling with Monte Carlo analysis

NASA Astrophysics Data System (ADS)

Aguirre, E. E.; Karchewski, B.

2017-12-01

DC resistivity surveying is a geophysical method that quantifies the electrical properties of the subsurface of the earth by applying a source current between two electrodes and measuring potential differences between electrodes at known distances from the source. Analytical solutions for a homogeneous half-space and simple subsurface models are well known, as the former is used to define the concept of apparent resistivity. However, in situ properties are heterogeneous meaning that simple analytical models are only an approximation, and ignoring such heterogeneity can lead to misinterpretation of survey results costing time and money. The present study examines the extent to which random variations in electrical properties (i.e. electrical conductivity) affect potential difference readings and therefore apparent resistivities, relative to an assumed homogeneous subsurface model. We simulate the DC resistivity survey using a Finite Difference (FD) approximation of an appropriate simplification of Maxwell's equations implemented in Matlab. Electrical resistivity values at each node in the simulation were defined as random variables with a given mean and variance, and are assumed to follow a log-normal distribution. The Monte Carlo analysis for a given variance of electrical resistivity was performed until the mean and variance in potential difference measured at the surface converged. Finally, we used the simulation results to examine the relationship between variance in resistivity and variation in surface potential difference (or apparent resistivity) relative to a homogeneous half-space model. For relatively low values of standard deviation in the material properties (<10% of mean), we observed a linear correlation between variance of resistivity and variance in apparent resistivity.

Stability and control of flexible satellites. II - Control

NASA Technical Reports Server (NTRS)

Huang, T. C.; Das, A.

1980-01-01

It is demonstrated that by monitoring the deformations of the flexible elements of a satellite, the effectiveness of the satellite control system can be increased considerably. A simple model of a flexible satellite was analyzed in the first part of this work. The same model is used here for digital computer simulations.

A Simple Water Balance Model Adapted for Arctic Hydrology Reveals Glacier and Streamflow Responses to Climate Change in the Copper River, Alaska

NASA Astrophysics Data System (ADS)

Valentin, M. M.; Hay, L.; Van Beusekom, A. E.; Viger, R. J.; Hogue, T. S.

2016-12-01

Forecasting the hydrologic response to climate change in Alaska's glaciated watersheds remains daunting for hydrologists due to sparse field data and few modeling tools, which frustrates efforts to manage and protect critical aquatic habitat. Approximately 20% of the 64,000 square kilometer Copper River watershed is glaciated, and its glacier-fed tributaries support renowned salmon fisheries that are economically, culturally, and nutritionally invaluable to the local communities. This study adapts a simple, yet powerful, conceptual hydrologic model to simulate changes in the timing and volume of streamflow in the Copper River, Alaska as glaciers change under plausible future climate scenarios. The USGS monthly water balance model (MWBM), a hydrologic tool used for two decades to evaluate a broad range of hydrologic questions in the contiguous U.S., was enhanced to include glacier melt simulations and remotely sensed data. In this presentation we summarize the technical details behind our MWBM adaptation and demonstrate its use in the Copper River Basin to evaluate glacier and streamflow responses to climate change.

Simple equations to simulate closed-loop recycling liquid-liquid chromatography: Ideal and non-ideal recycling models.

PubMed

Kostanyan, Artak E

2015-12-04

The ideal (the column outlet is directly connected to the column inlet) and non-ideal (includes the effects of extra-column dispersion) recycling equilibrium-cell models are used to simulate closed-loop recycling counter-current chromatography (CLR CCC). Simple chromatogram equations for the individual cycles and equations describing the transport and broadening of single peaks and complex chromatograms inside the recycling closed-loop column for ideal and non-ideal recycling models are presented. The extra-column dispersion is included in the theoretical analysis, by replacing the recycling system (connecting lines, pump and valving) by a cascade of Nec perfectly mixed cells. To evaluate extra-column contribution to band broadening, two limiting regimes of recycling are analyzed: plug-flow, Nec→∞, and maximum extra-column dispersion, Nec=1. Comparative analysis of ideal and non-ideal models has shown that when the volume of the recycling system is less than one percent of the column volume, the influence of the extra-column processes on the CLR CCC separation may be neglected. Copyright © 2015 Elsevier B.V. All rights reserved.

Microburst vertical wind estimation from horizontal wind measurements

NASA Technical Reports Server (NTRS)

Vicroy, Dan D.

1994-01-01

The vertical wind or downdraft component of a microburst-generated wind shear can significantly degrade airplane performance. Doppler radar and lidar are two sensor technologies being tested to provide flight crews with early warning of the presence of hazardous wind shear. An inherent limitation of Doppler-based sensors is the inability to measure velocities perpendicular to the line of sight, which results in an underestimate of the total wind shear hazard. One solution to the line-of-sight limitation is to use a vertical wind model to estimate the vertical component from the horizontal wind measurement. The objective of this study was to assess the ability of simple vertical wind models to improve the hazard prediction capability of an airborne Doppler sensor in a realistic microburst environment. Both simulation and flight test measurements were used to test the vertical wind models. The results indicate that in the altitude region of interest (at or below 300 m), the simple vertical wind models improved the hazard estimate. The radar simulation study showed that the magnitude of the performance improvement was altitude dependent. The altitude of maximum performance improvement occurred at about 300 m.

The architecture of Newton, a general-purpose dynamics simulator

NASA Technical Reports Server (NTRS)

Cremer, James F.; Stewart, A. James

1989-01-01

The architecture for Newton, a general-purpose system for simulating the dynamics of complex physical objects, is described. The system automatically formulates and analyzes equations of motion, and performs automatic modification of this system equations when necessitated by changes in kinematic relationships between objects. Impact and temporary contact are handled, although only using simple models. User-directed influence of simulations is achieved using Newton's module, which can be used to experiment with the control of many-degree-of-freedom articulated objects.

A classical density functional theory of ionic liquids.

PubMed

Forsman, Jan; Woodward, Clifford E; Trulsson, Martin

2011-04-28

We present a simple, classical density functional approach to the study of simple models of room temperature ionic liquids. Dispersion attractions as well as ion correlation effects and excluded volume packing are taken into account. The oligomeric structure, common to many ionic liquid molecules, is handled by a polymer density functional treatment. The theory is evaluated by comparisons with simulations, with an emphasis on the differential capacitance, an experimentally measurable quantity of significant practical interest.

One-dimensional collision carts computer model and its design ideas for productive experiential learning

NASA Astrophysics Data System (ADS)

Wee, Loo Kang

2012-05-01

We develop an Easy Java Simulation (EJS) model for students to experience the physics of idealized one-dimensional collision carts. The physics model is described and simulated by both continuous dynamics and discrete transition during collision. In designing the simulations, we discuss briefly three pedagogical considerations namely (1) a consistent simulation world view with a pen and paper representation, (2) a data table, scientific graphs and symbolic mathematical representations for ease of data collection and multiple representational visualizations and (3) a game for simple concept testing that can further support learning. We also suggest using a physical world setup augmented by simulation by highlighting three advantages of real collision carts equipment such as a tacit 3D experience, random errors in measurement and the conceptual significance of conservation of momentum applied to just before and after collision. General feedback from the students has been relatively positive, and we hope teachers will find the simulation useful in their own classes.

Minimum-dissipation scalar transport model for large-eddy simulation of turbulent flows

NASA Astrophysics Data System (ADS)

Abkar, Mahdi; Bae, Hyun J.; Moin, Parviz

2016-08-01

Minimum-dissipation models are a simple alternative to the Smagorinsky-type approaches to parametrize the subfilter turbulent fluxes in large-eddy simulation. A recently derived model of this type for subfilter stress tensor is the anisotropic minimum-dissipation (AMD) model [Rozema et al., Phys. Fluids 27, 085107 (2015), 10.1063/1.4928700], which has many desirable properties. It is more cost effective than the dynamic Smagorinsky model, it appropriately switches off in laminar and transitional flows, and it is consistent with the exact subfilter stress tensor on both isotropic and anisotropic grids. In this study, an extension of this approach to modeling the subfilter scalar flux is proposed. The performance of the AMD model is tested in the simulation of a high-Reynolds-number rough-wall boundary-layer flow with a constant and uniform surface scalar flux. The simulation results obtained from the AMD model show good agreement with well-established empirical correlations and theoretical predictions of the resolved flow statistics. In particular, the AMD model is capable of accurately predicting the expected surface-layer similarity profiles and power spectra for both velocity and scalar concentration.

Hierarchical lattice models of hydrogen-bond networks in water

NASA Astrophysics Data System (ADS)

Dandekar, Rahul; Hassanali, Ali A.

2018-06-01

We develop a graph-based model of the hydrogen-bond network in water, with a view toward quantitatively modeling the molecular-level correlational structure of the network. The networks formed are studied by the constructing the model on two infinite-dimensional lattices. Our models are built bottom up, based on microscopic information coming from atomistic simulations, and we show that the predictions of the model are consistent with known results from ab initio simulations of liquid water. We show that simple entropic models can predict the correlations and clustering of local-coordination defects around tetrahedral waters observed in the atomistic simulations. We also find that orientational correlations between bonds are longer ranged than density correlations, determine the directional correlations within closed loops, and show that the patterns of water wires within these structures are also consistent with previous atomistic simulations. Our models show the existence of density and compressibility anomalies, as seen in the real liquid, and the phase diagram of these models is consistent with the singularity-free scenario previously proposed by Sastry and coworkers [Phys. Rev. E 53, 6144 (1996), 10.1103/PhysRevE.53.6144].

Global-Scale Hydrology: Simple Characterization of Complex Simulation

NASA Technical Reports Server (NTRS)

Koster, Randal D.

1999-01-01

Atmospheric general circulation models (AGCMS) are unique and valuable tools for the analysis of large-scale hydrology. AGCM simulations of climate provide tremendous amounts of hydrological data with a spatial and temporal coverage unmatched by observation systems. To the extent that the AGCM behaves realistically, these data can shed light on the nature of the real world's hydrological cycle. In the first part of the seminar, I will describe the hydrological cycle in a typical AGCM, with some emphasis on the validation of simulated precipitation against observations. The second part of the seminar will focus on a key goal in large-scale hydrology studies, namely the identification of simple, overarching controls on hydrological behavior hidden amidst the tremendous amounts of data produced by the highly complex AGCM parameterizations. In particular, I will show that a simple 50-year-old climatological relation (and a recent extension we made to it) successfully predicts, to first order, both the annual mean and the interannual variability of simulated evaporation and runoff fluxes. The seminar will conclude with an example of a practical application of global hydrology studies. The accurate prediction of weather statistics several months in advance would have tremendous societal benefits, and conventional wisdom today points at the use of coupled ocean-atmosphere-land models for such seasonal-to-interannual prediction. Understanding the hydrological cycle in AGCMs is critical to establishing the potential for such prediction. Our own studies show, among other things, that soil moisture retention can lead to significant precipitation predictability in many midlatitude and tropical regions.

Direct Monte Carlo simulation of chemical reaction systems: Simple bimolecular reactions

NASA Astrophysics Data System (ADS)

Piersall, Shannon D.; Anderson, James B.

1991-07-01

In applications to several simple reaction systems we have explored a ``direct simulation'' method for predicting and understanding the behavior of gas phase chemical reaction systems. This Monte Carlo method, originated by Bird, has been found remarkably successful in treating a number of difficult problems in rarefied dynamics. Extension to chemical reactions offers a powerful tool for treating reaction systems with nonthermal distributions, with coupled gas-dynamic and reaction effects, with emission and adsorption of radiation, and with many other effects difficult to treat in any other way. The usual differential equations of chemical kinetics are eliminated. For a bimolecular reaction of the type A+B→C+D with a rate sufficiently low to allow a continued thermal equilibrium of reactants we find that direct simulation reproduces the expected second order kinetics. Simulations for a range of temperatures yield the activation energies expected for the reaction models specified. For faster reactions under conditions leading to a depletion of energetic reactant species, the expected slowing of reaction rates and departures from equilibrium distributions are observed. The minimum sample sizes required for adequate simulations are as low as 1000 molecules for these cases. The calculations are found to be simple and straightforward for the homogeneous systems considered. Although computation requirements may be excessively high for very slow reactions, they are reasonably low for fast reactions, for which nonequilibrium effects are most important.

Trajectory optimization and guidance law development for national aerospace plane applications

NASA Technical Reports Server (NTRS)

Calise, A. J.; Flandro, G. A.; Corban, J. E.

1988-01-01

The work completed to date is comprised of the following: a simple vehicle model representative of the aerospace plane concept in the hypersonic flight regime, fuel-optimal climb profiles for the unconstrained and dynamic pressure constrained cases generated using a reduced order dynamic model, an analytic switching condition for transition to rocket powered flight as orbital velocity is approached, simple feedback guidance laws for both the unconstrained and dynamic pressure constrained cases derived via singular perturbation theory and a nonlinear transformation technique, and numerical simulation results for ascent to orbit in the dynamic pressure constrained case.

Combined Monte Carlo and path-integral method for simulated library of time-resolved reflectance curves from layered tissue models

NASA Astrophysics Data System (ADS)

Wilson, Robert H.; Vishwanath, Karthik; Mycek, Mary-Ann

2009-02-01

Monte Carlo (MC) simulations are considered the "gold standard" for mathematical description of photon transport in tissue, but they can require large computation times. Therefore, it is important to develop simple and efficient methods for accelerating MC simulations, especially when a large "library" of related simulations is needed. A semi-analytical method involving MC simulations and a path-integral (PI) based scaling technique generated time-resolved reflectance curves from layered tissue models. First, a zero-absorption MC simulation was run for a tissue model with fixed scattering properties in each layer. Then, a closed-form expression for the average classical path of a photon in tissue was used to determine the percentage of time that the photon spent in each layer, to create a weighted Beer-Lambert factor to scale the time-resolved reflectance of the simulated zero-absorption tissue model. This method is a unique alternative to other scaling techniques in that it does not require the path length or number of collisions of each photon to be stored during the initial simulation. Effects of various layer thicknesses and absorption and scattering coefficients on the accuracy of the method will be discussed.

Modelling Wireless Power Transfer Using an Array of Tesla Coils

NASA Astrophysics Data System (ADS)

Pierson, Casey Thomas

Wireless power transmission, or WPT, is a well-demonstrated property in electrical science and physics. Coil-and-wave transmission (CWT) consists of two Tesla coils, one powered by a controlled voltage source v src and one connected across a generic load Z 0 , at a mid- to long range distance apart with spherical capacitors at each of their top loads. The literature on the different methods of WPT varies widely, but research of CWT is sparse, lacking especially in the area of computer simulation. Recently, a physical experiment was conducted by Marzolf et al. in [1], and yielded surprising resonant frequencies in the high frequency range. The goal of this research is to answer the question of whether these reosnant frequencies originate in unexplained field effects or in non-ideal circuit behavior, and establish a formal model to indicate at what frequencies the resonant peaks occur as a first approximation. By carefully constructing a simulation of the most geometrically simple, power efficient design in the work of Marzolf et al. using the scientific software Octave, we investigate these frequencies computationally: first, an ideal scenario that has no flux leakage or exterior losses is modelled mathematically and simulated, and then, a non-ideal scenario that accounts for losses in the coils and surroundings is modelled mathematically and simulated. Both models utilize a simple formula for spherical capacitance for the top loads. After running these simulations through detailed sampling up to 4 MHz, the ideal model could not account for the resonant peaks, while the non-ideal model indicated the resonant peaks near the exact frequency ranges that were observed. An unexpected characteristic of these results was that coupling coefficients between the coils of the transmitter and receiver played a noticeable part in the indication of resonant peaks. This demonstrates that unknown field effects are not the primary driver of resonance in the ideal or non-ideal construction, and raises inriguing questions about the circuit design's relationship with resonance in the locality about the coils.

Cloud-Based Tools to Support High-Resolution Modeling (Invited)

NASA Astrophysics Data System (ADS)

Jones, N.; Nelson, J.; Swain, N.; Christensen, S.

2013-12-01

The majority of watershed models developed to support decision-making by water management agencies are simple, lumped-parameter models. Maturity in research codes and advances in the computational power from multi-core processors on desktop machines, commercial cloud-computing resources, and supercomputers with thousands of cores have created new opportunities for employing more accurate, high-resolution distributed models for routine use in decision support. The barriers for using such models on a more routine basis include massive amounts of spatial data that must be processed for each new scenario and lack of efficient visualization tools. In this presentation we will review a current NSF-funded project called CI-WATER that is intended to overcome many of these roadblocks associated with high-resolution modeling. We are developing a suite of tools that will make it possible to deploy customized web-based apps for running custom scenarios for high-resolution models with minimal effort. These tools are based on a software stack that includes 52 North, MapServer, PostGIS, HT Condor, CKAN, and Python. This open source stack provides a simple scripting environment for quickly configuring new custom applications for running high-resolution models as geoprocessing workflows. The HT Condor component facilitates simple access to local distributed computers or commercial cloud resources when necessary for stochastic simulations. The CKAN framework provides a powerful suite of tools for hosting such workflows in a web-based environment that includes visualization tools and storage of model simulations in a database to archival, querying, and sharing of model results. Prototype applications including land use change, snow melt, and burned area analysis will be presented. This material is based upon work supported by the National Science Foundation under Grant No. 1135482

Climatic impact of Amazon deforestation - a mechanistic model study

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

Ning Zeng; Dickinson, R.E.; Xubin Zeng

1996-04-01

Recent general circulation model (GCM) experiments suggest a drastic change in the regional climate, especially the hydrological cycle, after hypothesized Amazon basinwide deforestation. To facilitate the theoretical understanding os such a change, we develop an intermediate-level model for tropical climatology, including atmosphere-land-ocean interaction. The model consists of linearized steady-state primitive equations with simplified thermodynamics. A simple hydrological cycle is also included. Special attention has been paid to land-surface processes. It generally better simulates tropical climatology and the ENSO anomaly than do many of the previous simple models. The climatic impact of Amazon deforestation is studied in the context of thismore » model. Model results show a much weakened Atlantic Walker-Hadley circulation as a result of the existence of a strong positive feedback loop in the atmospheric circulation system and the hydrological cycle. The regional climate is highly sensitive to albedo change and sensitive to evapotranspiration change. The pure dynamical effect of surface roughness length on convergence is small, but the surface flow anomaly displays intriguing features. Analysis of the thermodynamic equation reveals that the balance between convective heating, adiabatic cooling, and radiation largely determines the deforestation response. Studies of the consequences of hypothetical continuous deforestation suggest that the replacement of forest by desert may be able to sustain a dry climate. Scaling analysis motivated by our modeling efforts also helps to interpret the common results of many GCM simulations. When a simple mixed-layer ocean model is coupled with the atmospheric model, the results suggest a 1{degrees}C decrease in SST gradient across the equatorial Atlantic Ocean in response to Amazon deforestation. The magnitude depends on the coupling strength. 66 refs., 16 figs., 4 tabs.« less

A fast analytical undulator model for realistic high-energy FEL simulations

NASA Astrophysics Data System (ADS)

Tatchyn, R.; Cremer, T.

1997-02-01

A number of leading FEL simulation codes used for modeling gain in the ultralong undulators required for SASE saturation in the <100 Å range employ simplified analytical models both for field and error representations. Although it is recognized that both the practical and theoretical validity of such codes could be enhanced by incorporating realistic undulator field calculations, the computational cost of doing this can be prohibitive, especially for point-to-point integration of the equations of motion through each undulator period. In this paper we describe a simple analytical model suitable for modeling realistic permanent magnet (PM), hybrid/PM, and non-PM undulator structures, and discuss selected techniques for minimizing computation time.

Increasing the realism of a laparoscopic box trainer: a simple, inexpensive method.

PubMed

Hull, Louise; Kassab, Eva; Arora, Sonal; Kneebone, Roger

2010-01-01

Simulation-based training in medical education is increasing. Realism is an integral element of creating an engaging, effective training environment. Although physical trainers offer a low-cost alternative to expensive virtual reality (VR) simulators, many lack in realism. The aim of this research was to enhance the realism of a laparoscopic box trainer by using a simple, inexpensive method. Digital images of the abdominal cavity were captured from a VR simulator. The images were printed onto a laminated card that lined the bottom and sides of the box-trainer cavity. The standard black neoprene material that encloses the abdominal cavity was replaced with a skin-colored silicon model. The realism of the modified box trainer was assessed by surgeons, using quantitative and qualitative methodologies. Results suggest that the modified box trainer was more realistic than a standard box trainer alone. Incorporating this technique in the training of laparoscopic skills is an inexpensive means of emulating surgical reality that may enhance the engagement of the learner in simulation.

Quantitative, steady-state properties of Catania's computational model of the operant reserve.

PubMed

Berg, John P; McDowell, J J

2011-05-01

Catania (2005) found that a computational model of the operant reserve (Skinner, 1938) produced realistic behavior in initial, exploratory analyses. Although Catania's operant reserve computational model demonstrated potential to simulate varied behavioral phenomena, the model was not systematically tested. The current project replicated and extended the Catania model, clarified its capabilities through systematic testing, and determined the extent to which it produces behavior corresponding to matching theory. Significant departures from both classic and modern matching theory were found in behavior generated by the model across all conditions. The results suggest that a simple, dynamic operant model of the reflex reserve does not simulate realistic steady state behavior. Copyright © 2011 Elsevier B.V. All rights reserved.

EnviroLand: A Simple Computer Program for Quantitative Stream Assessment.

ERIC Educational Resources Information Center

Dunnivant, Frank; Danowski, Dan; Timmens-Haroldson, Alice; Newman, Meredith

2002-01-01

Introduces the Enviroland computer program which features lab simulations of theoretical calculations for quantitative analysis and environmental chemistry, and fate and transport models. Uses the program to demonstrate the nature of linear and nonlinear equations. (Author/YDS)

Non-linear modelling and control of semi-active suspensions with variable damping

NASA Astrophysics Data System (ADS)

Chen, Huang; Long, Chen; Yuan, Chao-Chun; Jiang, Hao-Bin

2013-10-01

Electro-hydraulic dampers can provide variable damping force that is modulated by varying the command current; furthermore, they offer advantages such as lower power, rapid response, lower cost, and simple hardware. However, accurate characterisation of non-linear f-v properties in pre-yield and force saturation in post-yield is still required. Meanwhile, traditional linear or quarter vehicle models contain various non-linearities. The development of a multi-body dynamics model is very complex, and therefore, SIMPACK was used with suitable improvements for model development and numerical simulations. A semi-active suspension was built based on a belief-desire-intention (BDI)-agent model framework. Vehicle handling dynamics were analysed, and a co-simulation analysis was conducted in SIMPACK and MATLAB to evaluate the BDI-agent controller. The design effectively improved ride comfort, handling stability, and driving safety. A rapid control prototype was built based on dSPACE to conduct a real vehicle test. The test and simulation results were consistent, which verified the simulation.

Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom.

PubMed

Schappals, Michael; Mecklenfeld, Andreas; Kröger, Leif; Botan, Vitalie; Köster, Andreas; Stephan, Simon; García, Edder J; Rutkai, Gabor; Raabe, Gabriele; Klein, Peter; Leonhard, Kai; Glass, Colin W; Lenhard, Johannes; Vrabec, Jadran; Hasse, Hans

2017-09-12

Thermodynamic properties are often modeled by classical force fields which describe the interactions on the atomistic scale. Molecular simulations are used for retrieving thermodynamic data from such models, and many simulation techniques and computer codes are available for that purpose. In the present round robin study, the following fundamental question is addressed: Will different user groups working with different simulation codes obtain coinciding results within the statistical uncertainty of their data? A set of 24 simple simulation tasks is defined and solved by five user groups working with eight molecular simulation codes: DL_POLY, GROMACS, IMC, LAMMPS, ms2, NAMD, Tinker, and TOWHEE. Each task consists of the definition of (1) a pure fluid that is described by a force field and (2) the conditions under which that property is to be determined. The fluids are four simple alkanes: ethane, propane, n-butane, and iso-butane. All force fields consider internal degrees of freedom: OPLS, TraPPE, and a modified OPLS version with bond stretching vibrations. Density and potential energy are determined as a function of temperature and pressure on a grid which is specified such that all states are liquid. The user groups worked independently and reported their results to a central instance. The full set of results was disclosed to all user groups only at the end of the study. During the study, the central instance gave only qualitative feedback. The results reveal the challenges of carrying out molecular simulations. Several iterations were needed to eliminate gross errors. For most simulation tasks, the remaining deviations between the results of the different groups are acceptable from a practical standpoint, but they are often outside of the statistical errors of the individual simulation data. However, there are also cases where the deviations are unacceptable. This study highlights similarities between computer experiments and laboratory experiments, which are both subject not only to statistical error but also to systematic error.

Aneesur Rahman Prize Talk

NASA Astrophysics Data System (ADS)

Frenkel, Daan

2007-03-01

During the past decade there has been a unique synergy between theory, experiment and simulation in Soft Matter Physics. In colloid science, computer simulations that started out as studies of highly simplified model systems, have acquired direct experimental relevance because experimental realizations of these simple models can now be synthesized. Whilst many numerical predictions concerning the phase behavior of colloidal systems have been vindicated by experiments, the jury is still out on others. In my talk I will discuss some of the recent technical developments, new findings and open questions in computational soft-matter science.

A practical laboratory study simulating the percutaneous lumbar transforaminal epidural injection: training model in fresh cadaveric sheep spine.

PubMed

Suslu, Husnu

2012-01-01

Laboratory training models are essential for developing and refining treatment skills before the clinical application of surgical and invasive procedures. A simple simulation model is needed for young trainees to learn how to handle instruments, and to perform safe lumbar transforaminal epidural injections. Our aim is to present a model of a fresh cadaveric sheep lumbar spine that simulates the lumbar transforaminal epidural injection. The material consists of a 2-year-old fresh cadaveric sheep spine. A 4-step approach was designed for lumbar transforaminal epidural injection under C-arm scopy. For the lumbar transforaminal epidural injection, the fluoroscope was adjusted to get a proper oblique view while the material was stabilized in a prone position. The procedure then begin, using the C-arm guidance scopy. The model simulates well the steps of standard lumbar transforaminal epidural injections in the human spine. The cadaveric sheep spine represents a good method for training and it simulates fluoroscopic lumbar transforaminal epidural steroid injection procedures performed in the human spine.

Simplified and advanced modelling of traction control systems of heavy-haul locomotives

NASA Astrophysics Data System (ADS)

Spiryagin, Maksym; Wolfs, Peter; Szanto, Frank; Cole, Colin

2015-05-01

Improving tractive effort is a very complex task in locomotive design. It requires the development of not only mechanical systems but also power systems, traction machines and traction algorithms. At the initial design stage, traction algorithms can be verified by means of a simulation approach. A simple single wheelset simulation approach is not sufficient because all locomotive dynamics are not fully taken into consideration. Given that many traction control strategies exist, the best solution is to use more advanced approaches for such studies. This paper describes the modelling of a locomotive with a bogie traction control strategy based on a co-simulation approach in order to deliver more accurate results. The simplified and advanced modelling approaches of a locomotive electric power system are compared in this paper in order to answer a fundamental question. What level of modelling complexity is necessary for the investigation of the dynamic behaviours of a heavy-haul locomotive running under traction? The simulation results obtained provide some recommendations on simulation processes and the further implementation of advanced and simplified modelling approaches.

A simple theoretical model for ⁶³Ni betavoltaic battery.

PubMed

Zuo, Guoping; Zhou, Jianliang; Ke, Guotu

2013-12-01

A numerical simulation of the energy deposition distribution in semiconductors is performed for ⁶³Ni beta particles. Results show that the energy deposition distribution exhibits an approximate exponential decay law. A simple theoretical model is developed for ⁶³Ni betavoltaic battery based on the distribution characteristics. The correctness of the model is validated by two literature experiments. Results show that the theoretical short-circuit current agrees well with the experimental results, and the open-circuit voltage deviates from the experimental results in terms of the influence of the PN junction defects and the simplification of the source. The theoretical model can be applied to ⁶³Ni and ¹⁴⁷Pm betavoltaic batteries. Copyright © 2013 Elsevier Ltd. All rights reserved.

Active earth pressure model tests versus finite element analysis

NASA Astrophysics Data System (ADS)

Pietrzak, Magdalena

2017-06-01

The purpose of the paper is to compare failure mechanisms observed in small scale model tests on granular sample in active state, and simulated by finite element method (FEM) using Plaxis 2D software. Small scale model tests were performed on rectangular granular sample retained by a rigid wall. Deformation of the sample resulted from simple wall translation in the direction `from the soil" (active earth pressure state. Simple Coulomb-Mohr model for soil can be helpful in interpreting experimental findings in case of granular materials. It was found that the general alignment of strain localization pattern (failure mechanism) may belong to macro scale features and be dominated by a test boundary conditions rather than the nature of the granular sample.

Applications of the Simple Multi-Fluid Model to Correlations of the Vapor-Liquid Equilibrium of Refrigerant Mixtures Containing Carbon Dioxide

NASA Astrophysics Data System (ADS)

Akasaka, Ryo

This study presents a simple multi-fluid model for Helmholtz energy equations of state. The model contains only three parameters, whereas rigorous multi-fluid models developed for several industrially important mixtures usually have more than 10 parameters and coefficients. Therefore, the model can be applied to mixtures where experimental data is limited. Vapor-liquid equilibrium (VLE) of the following seven mixtures have been successfully correlated with the model: CO2 + difluoromethane (R-32), CO2 + trifluoromethane (R-23), CO2 + fluoromethane (R-41), CO2 + 1,1,1,2- tetrafluoroethane (R-134a), CO2 + pentafluoroethane (R-125), CO2 + 1,1-difluoroethane (R-152a), and CO2 + dimethyl ether (DME). The best currently available equations of state for the pure refrigerants were used for the correlations. For all mixtures, average deviations in calculated bubble-point pressures from experimental values are within 2%. The simple multi-fluid model will be helpful for design and simulations of heat pumps and refrigeration systems using the mixtures as working fluid.

Quasi-Dynamic Versus Fully-Dynamic Simulations of Slip Accumulation on Faults with Enhanced Dynamic Weakening

NASA Astrophysics Data System (ADS)

Lapusta, N.; Thomas, M.; Noda, H.; Avouac, J.

2012-12-01

Long-term simulations that incorporate both seismic events and aseismic slip are quite important for studies of earthquake physics but challenging computationally. To study long deformation histories, most simulation methods do not incorporate full inertial effects (wave propagation) during simulated earthquakes, using quasi-dynamic approximations instead. Here we compare the results of quasi-dynamic simulations to the fully dynamic ones for a range of problems to determine the applicability of the quasi-dynamic approach. Intuitively, the quasi-dynamic approach should do relatively well in problems where wave-mediated effects are relatively simple but should have substantially different (and hence wrong) response when the wave-mediated stress transfers dominate the character of the seismic events. This is exactly what we observe in our simulations. We consider a 2D model of a rate-and-state fault with a seismogenic (steady-state velocity-weakening) zone surrounded by creeping (steady-state velocity-strengthening) areas. If the seismogenic zone is described by the standard Dieterich-Ruina rate-and-state friction, the resulting earthquake sequences consist of relatively simple crack-like ruptures, and the inclusion of true wave-propagation effects mostly serves to concentrate stress more efficiently at the rupture front. Hence, in such models, rupture speeds and slip rates are significantly (several times) lower in the quasi-dynamic simulations compared to the fully dynamic ones, but the total slip, the crack-like nature of seismic events, and the overall pattern of earthquake sequences is comparable, consistently with prior studies. Such behavior can be classified as qualitatively similar but quantitatively different, and it motivates the popularity of the quasi-dynamic methods in simulations. However, the comparison changes dramatically once we consider a model with enhanced dynamic weakening in the seismogenic zone in the form of flash heating. In this case, the fully dynamic simulations produce seismic ruptures in the form of short-duration slip pulses, where the pulses form due to a combination of enhanced weakening and wave effects. The quasi-dynamic simulations in the same model produce completely different results, with large crack-like ruptures, different total slips, different rupture patterns, and different prestress state before large, model-spanning events. Such qualitative differences between the quasi-dynamic and fully-dynamic simulation should result in any model where inertial effects lead to qualitative differences, such as cases with supershear transition or fault with different materials on the two sides. We will present results on our current work on how the quasi-dynamic and fully dynamic simulations compare for the cases with heterogeneous fault properties.

Towards a simple representation of chalk hydrology in land surface modelling

NASA Astrophysics Data System (ADS)

Rahman, Mostaquimur; Rosolem, Rafael

2017-01-01

Modelling and monitoring of hydrological processes in the unsaturated zone of chalk, a porous medium with fractures, is important to optimize water resource assessment and management practices in the United Kingdom (UK). However, incorporating the processes governing water movement through a chalk unsaturated zone in a numerical model is complicated mainly due to the fractured nature of chalk that creates high-velocity preferential flow paths in the subsurface. In general, flow through a chalk unsaturated zone is simulated using the dual-porosity concept, which often involves calibration of a relatively large number of model parameters, potentially undermining applications to large regions. In this study, a simplified parameterization, namely the Bulk Conductivity (BC) model, is proposed for simulating hydrology in a chalk unsaturated zone. This new parameterization introduces only two additional parameters (namely the macroporosity factor and the soil wetness threshold parameter for fracture flow activation) and uses the saturated hydraulic conductivity from the chalk matrix. The BC model is implemented in the Joint UK Land Environment Simulator (JULES) and applied to a study area encompassing the Kennet catchment in the southern UK. This parameterization is further calibrated at the point scale using soil moisture profile observations. The performance of the calibrated BC model in JULES is assessed and compared against the performance of both the default JULES parameterization and the uncalibrated version of the BC model implemented in JULES. Finally, the model performance at the catchment scale is evaluated against independent data sets (e.g. runoff and latent heat flux). The results demonstrate that the inclusion of the BC model in JULES improves simulated land surface mass and energy fluxes over the chalk-dominated Kennet catchment. Therefore, the simple approach described in this study may be used to incorporate the flow processes through a chalk unsaturated zone in large-scale land surface modelling applications.

Comparing wave shoaling methods used in large-scale coastal evolution modeling

NASA Astrophysics Data System (ADS)

Limber, P. W.; Adams, P. N.; Murray, A.

2013-12-01

A variety of methods are available to simulate wave propagation from the deep ocean to the surf zone. They range from simple and computationally fast (e.g. linear wave theory applied to shore-parallel bathymetric contours) to complicated and computationally intense (e.g., Delft's ';Simulating WAves Nearshore', or SWAN, model applied to complex bathymetry). Despite their differences, the goal of each method is the same with respect to coastline evolution modeling: to link offshore waves with rates of (and gradients in) alongshore sediment transport. Choosing a shoaling technique for modeling coastline evolution should be partly informed by the spatial and temporal scales of the model, as well as the model's intent (is it simulating a specific coastline, or exploring generic coastline dynamics?). However, the particular advantages and disadvantages of each technique, and how the advantages/disadvantages vary over different model spatial and temporal scales, are not always clear. We present a wave shoaling model that simultaneously computes breaking wave heights and angles using three increasingly complex wave shoaling routines: the most basic approach assuming shore-parallel bathymetric contours, a wave ray tracing method that includes wave energy convergence and divergence and non-shore-parallel contours, and a spectral wave model (SWAN). Initial results show reasonable agreement between wave models along a flat shoreline for small (1 m) wave heights, low wave angles (0 to 10 degrees), and simple bathymetry. But, as wave heights and angles increase, bathymetry becomes more variable, and the shoreline shape becomes sinuous, the model results begin to diverge. This causes different gradients in alongshore sediment transport between model runs employing different shoaling techniques and, therefore, different coastline behavior. Because SWAN does not approximate wave breaking (which drives alongshore sediment transport) we use a routine to extract grid cells from SWAN output where wave height is approximately one-half of the water depth (a standard wave breaking threshold). The goal of this modeling exercise is to understand under what conditions a simple wave model is sufficient for simulating coastline evolution, and when using a more complex shoaling routine can optimize a coastline model. The Coastline Evolution Model (CEM; Ashton and Murray, 2006) is used to show how different shoaling routines affect modeled coastline behavior. The CEM currently includes the most basic wave shoaling approach to simulate cape and spit formation. We will instead couple it to SWAN, using the insight from the comprehensive wave model (above) to guide its application. This will allow waves transformed over complex bathymetry, such as cape-associated shoals and ridges, to be input for the CEM so that large-scale coastline behavior can be addressed in less idealized environments. Ashton, A., and Murray, A.B., 2006, High-angle wave instability and emergent shoreline shapes: 1. Modeling of sand waves, flying spits, and capes: Journal of Geophysical Research, v. 111, p. F04011, doi:10.1029/2005JF000422.

Efficient micromagnetic modelling of spin-transfer torque and spin-orbit torque

NASA Astrophysics Data System (ADS)

Abert, Claas; Bruckner, Florian; Vogler, Christoph; Suess, Dieter

2018-05-01

While the spin-diffusion model is considered one of the most complete and accurate tools for the description of spin transport and spin torque, its solution in the context of dynamical micromagnetic simulations is numerically expensive. We propose a procedure to retrieve the free parameters of a simple macro-spin like spin-torque model through the spin-diffusion model. In case of spin-transfer torque the simplified model complies with the model of Slonczewski. A similar model can be established for the description of spin-orbit torque. In both cases the spin-diffusion model enables the retrieval of free model parameters from the geometry and the material parameters of the system. Since these parameters usually have to be determined phenomenologically through experiments, the proposed method combines the strength of the diffusion model to resolve material parameters and geometry with the high performance of simple torque models.

Microstructure and hydrogen bonding in water-acetonitrile mixtures.

PubMed

Mountain, Raymond D

2010-12-16

The connection of hydrogen bonding between water and acetonitrile in determining the microheterogeneity of the liquid mixture is examined using NPT molecular dynamics simulations. Mixtures for six, rigid, three-site models for acetonitrile and one water model (SPC/E) were simulated to determine the amount of water-acetonitrile hydrogen bonding. Only one of the six acetonitrile models (TraPPE-UA) was able to reproduce both the liquid density and the experimental estimates of hydrogen bonding derived from Raman scattering of the CN stretch band or from NMR quadrupole relaxation measurements. A simple modification of the acetonitrile model parameters for the models that provided poor estimates produced hydrogen-bonding results consistent with experiments for two of the models. Of these, only one of the modified models also accurately determined the density of the mixtures. The self-diffusion coefficient of liquid acetonitrile provided a final winnowing of the modified model and the successful, unmodified model. The unmodified model is provisionally recommended for simulations of water-acetonitrile mixtures.

Coarse-Grained Simulations of Membrane Insertion and Folding of Small Helical Proteins Using the CABS Model.

PubMed

Pulawski, Wojciech; Jamroz, Michal; Kolinski, Michal; Kolinski, Andrzej; Kmiecik, Sebastian

2016-11-28

The CABS coarse-grained model is a well-established tool for modeling globular proteins (predicting their structure, dynamics, and interactions). Here we introduce an extension of the CABS representation and force field (CABS-membrane) to the modeling of the effect of the biological membrane environment on the structure of membrane proteins. We validate the CABS-membrane model in folding simulations of 10 short helical membrane proteins not using any knowledge about their structure. The simulations start from random protein conformations placed outside the membrane environment and allow for full flexibility of the modeled proteins during their spontaneous insertion into the membrane. In the resulting trajectories, we have found models close to the experimental membrane structures. We also attempted to select the correctly folded models using simple filtering followed by structural clustering combined with reconstruction to the all-atom representation and all-atom scoring. The CABS-membrane model is a promising approach for further development toward modeling of large protein-membrane systems.

Water and Solute Flux Simulation Using Hydropedology Survey Data in South African Catchments

NASA Astrophysics Data System (ADS)

Lorentz, Simon; van Tol, Johan; le Roux, Pieter

2017-04-01

Hydropedology surveys include linking soil profile information in hillslope transects in order to define dominant subsurface flow mechanisms and pathways. This information is useful for deriving hillslope response functions, which aid storage and travel time estimates of water and solute movement in the sub-surface. In this way, the "soft" data of the hydropedological survey can be included in simple hydrological models, where detailed modelling of processes and pathways is prohibitive. Hydropedology surveys were conducted in two catchments and the information used to improve the prediction of water and solute responses. Typical hillslope response functions are then derived using a 2-D finite element model of the hydropedological features. Similar response types are mapped. These mapped response units are invoked in a simple SCS based, hydrological and solute transport model to yield water and solute fluxes at the catchment outlets. The first catchment (1.6 km2) comprises commercial forestry in a sedimentary geology of sandstone and mudstone formation while the second catchment (6.1 km2) includes mine waste impoundments in a granitic geology. In this paper, we demonstrate the method of combining hydropedological interpretation with catchment hydrology and solute transport simulation. The forested catchment, with three dominant hillslope response types, have solute response times in excess of 90 days, whereas the granitic responses occur within 10 days. The use of the hydropedological data improves the solute distribution response and storage simulation, compared to simulations without the hydropedology interpretation. The hydrological responses are similar, with and without the use of the hydropedology data, but the simulated distribution of water in the catchment is improved using the techniques demonstrated.

Length-scale crossover of the hydrophobic interaction in a coarse-grained water model

NASA Astrophysics Data System (ADS)

Chaimovich, Aviel; Shell, M. Scott

2013-11-01

It has been difficult to establish a clear connection between the hydrophobic interaction among small molecules typically studied in molecular simulations (a weak, oscillatory force) and that found between large, macroscopic surfaces in experiments (a strong, monotonic force). Here, we show that both types of interaction can emerge with a simple, core-softened water model that captures water's unique pairwise structure. As in hydrophobic hydration, we find that the hydrophobic interaction manifests a length-scale dependence, exhibiting distinct driving forces in the molecular and macroscopic regimes. Moreover, the ability of this simple model to capture both regimes suggests that several features of the hydrophobic force can be understood merely through water's pair correlations.

Length-scale crossover of the hydrophobic interaction in a coarse-grained water model.

PubMed

Chaimovich, Aviel; Shell, M Scott

2013-11-01

It has been difficult to establish a clear connection between the hydrophobic interaction among small molecules typically studied in molecular simulations (a weak, oscillatory force) and that found between large, macroscopic surfaces in experiments (a strong, monotonic force). Here, we show that both types of interaction can emerge with a simple, core-softened water model that captures water's unique pairwise structure. As in hydrophobic hydration, we find that the hydrophobic interaction manifests a length-scale dependence, exhibiting distinct driving forces in the molecular and macroscopic regimes. Moreover, the ability of this simple model to capture both regimes suggests that several features of the hydrophobic force can be understood merely through water's pair correlations.

Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation

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

Schnell, Sondre K.; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720; Department of Chemistry, Faculty of Natural Science and Technology, Norwegian University of Science and Technology, 4791 Trondheim

2014-10-14

We present a new molecular simulation technique for determining partial molar enthalpies in mixtures of gases and liquids from single simulations, without relying on particle insertions, deletions, or identity changes. The method can also be applied to systems with chemical reactions. We demonstrate our method for binary mixtures of Weeks-Chandler-Anderson particles by comparing with conventional simulation techniques, as well as for a simple model that mimics a chemical reaction. The method considers small subsystems inside a large reservoir (i.e., the simulation box), and uses the construction of Hill to compute properties in the thermodynamic limit from small-scale fluctuations. Results obtainedmore » with the new method are in excellent agreement with those from previous methods. Especially for modeling chemical reactions, our method can be a valuable tool for determining reaction enthalpies directly from a single MD simulation.« less

Simulations of carbon fiber composite delamination tests

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

Kay, G

2007-10-25

Simulations of mode I interlaminar fracture toughness tests of a carbon-reinforced composite material (BMS 8-212) were conducted with LSDYNA. The fracture toughness tests were performed by U.C. Berkeley. The simulations were performed to investigate the validity and practicality of employing decohesive elements to represent interlaminar bond failures that are prevalent in carbon-fiber composite structure penetration events. The simulations employed a decohesive element formulation that was verified on a simple two element model before being employed to perform the full model simulations. Care was required during the simulations to ensure that the explicit time integration of LSDYNA duplicate the near steady-statemore » testing conditions. In general, this study validated the use of employing decohesive elements to represent the interlaminar bond failures seen in carbon-fiber composite structures, but the practicality of employing the elements to represent the bond failures seen in carbon-fiber composite structures during penetration events was not established.« less

Entropic Lattice Boltzmann Simulations of Turbulence

NASA Astrophysics Data System (ADS)

Keating, Brian; Vahala, George; Vahala, Linda; Soe, Min; Yepez, Jeffrey

2006-10-01

Because of its simplicity, nearly perfect parallelization and vectorization on supercomputer platforms, lattice Boltzmann (LB) methods hold great promise for simulations of nonlinear physics. Indeed, our MHD-LB code has the best sustained performance/PE of any code on the Earth Simulator. By projecting into the higher dimensional kinetic phase space, the solution trajectory is simpler and much easier to compute than standard CFD approach. However, simple LB -- with its simple advection and local BGK collisional relaxation -- does not impose positive definiteness of the distribution functions in the time evolution. This leads to numerical instabilities for very low transport coefficients. In Entropic LB (ELB) one determines a discrete H-theorem and the equilibrium distribution functions subject to the collisional invariants. The ELB algorithm is unconditionally stable to arbitrary small transport coefficients. Various choices of velocity discretization are examined: 15, 19 and 27-bit ELB models. The connection between Tsallis and Boltzmann entropies are clarified.

Heuristic Identification of Biological Architectures for Simulating Complex Hierarchical Genetic Interactions

PubMed Central

Moore, Jason H; Amos, Ryan; Kiralis, Jeff; Andrews, Peter C

2015-01-01

Simulation plays an essential role in the development of new computational and statistical methods for the genetic analysis of complex traits. Most simulations start with a statistical model using methods such as linear or logistic regression that specify the relationship between genotype and phenotype. This is appealing due to its simplicity and because these statistical methods are commonly used in genetic analysis. It is our working hypothesis that simulations need to move beyond simple statistical models to more realistically represent the biological complexity of genetic architecture. The goal of the present study was to develop a prototype genotype–phenotype simulation method and software that are capable of simulating complex genetic effects within the context of a hierarchical biology-based framework. Specifically, our goal is to simulate multilocus epistasis or gene–gene interaction where the genetic variants are organized within the framework of one or more genes, their regulatory regions and other regulatory loci. We introduce here the Heuristic Identification of Biological Architectures for simulating Complex Hierarchical Interactions (HIBACHI) method and prototype software for simulating data in this manner. This approach combines a biological hierarchy, a flexible mathematical framework, a liability threshold model for defining disease endpoints, and a heuristic search strategy for identifying high-order epistatic models of disease susceptibility. We provide several simulation examples using genetic models exhibiting independent main effects and three-way epistatic effects. PMID:25395175

Tsunami Simulators in Physical Modelling - Concept to Practical Solutions

NASA Astrophysics Data System (ADS)

Chandler, Ian; Allsop, William; Robinson, David; Rossetto, Tiziana; McGovern, David; Todd, David

2017-04-01

Whilst many researchers have conducted simple 'tsunami impact' studies, few engineering tools are available to assess the onshore impacts of tsunami, with no agreed methods available to predict loadings on coastal defences, buildings or related infrastructure. Most previous impact studies have relied upon unrealistic waveforms (solitary or dam-break waves and bores) rather than full-duration tsunami waves, or have used simplified models of nearshore and over-land flows. Over the last 10+ years, pneumatic Tsunami Simulators for the hydraulic laboratory have been developed into an exciting and versatile technology, allowing the forces of real-world tsunami to be reproduced and measured in a laboratory environment for the first time. These devices have been used to model generic elevated and N-wave tsunamis up to and over simple shorelines, and at example coastal defences and infrastructure. They have also reproduced full-duration tsunamis including Mercator 2004 and Tohoku 2011, both at 1:50 scale. Engineering scale models of these tsunamis have measured wave run-up on simple slopes, forces on idealised sea defences, pressures / forces on buildings, and scour at idealised buildings. This presentation will describe how these Tsunami Simulators work, demonstrate how they have generated tsunami waves longer than the facilities within which they operate, and will present research results from three generations of Tsunami Simulators. Highlights of direct importance to natural hazard modellers and coastal engineers include measurements of wave run-up levels, forces on single and multiple buildings and comparison with previous theoretical predictions. Multiple buildings have two malign effects. The density of buildings to flow area (blockage ratio) increases water depths and flow velocities in the 'streets'. But the increased building densities themselves also increase the cost of flow per unit area (both personal and monetary). The most recent study with the Tsunami Simulators therefore focussed on the influence of multiple buildings (up to 4 rows) which showed (for instance) that the greatest forces can act on the landward (not seaward) rows of buildings. Studies in the 70m long, 4m wide main channel of the Fast Flow Facility on tsunami defence structures have also measured forces on buildings in the lee of a failed defence wall and tsunami induced scour. Supporting presentations at this conference: McGovern et al on tsunami induced scour at coastal structures and Foster et al on building loads.

Model of Market Share Affected by Social Media Reputation

NASA Astrophysics Data System (ADS)

Ishii, Akira; Kawahata, Yasuko; Goto, Ujo

Proposal of market theory to put the effect of social media into account is presented in this paper. The standard market share model in economics is employed as a market theory and the effect of social media is considered quantitatively using the mathematical model for hit phenomena. Using this model, we can estimate the effect of social media in market share as a simple market model simulation using our proposed method.

Dependence of stratocumulus-topped boundary-layer entrainment on cloud-water sedimentation: Impact on global aerosol indirect effect in GISS ModelE3 single column model and global simulations

NASA Astrophysics Data System (ADS)

Ackerman, A. S.; Kelley, M.; Cheng, Y.; Fridlind, A. M.; Del Genio, A. D.; Bauer, S.

2017-12-01

Reduction in cloud-water sedimentation induced by increasing droplet concentrations has been shown in large-eddy simulations (LES) and direct numerical simulation (DNS) to enhance boundary-layer entrainment, thereby reducing cloud liquid water path and offsetting the Twomey effect when the overlying air is sufficiently dry, which is typical. Among recent upgrades to ModelE3, the latest version of the NASA Goddard Institute for Space Studies (GISS) general circulation model (GCM), are a two-moment stratiform cloud microphysics treatment with prognostic precipitation and a moist turbulence scheme that includes an option in its entrainment closure of a simple parameterization for the effect of cloud-water sedimentation. Single column model (SCM) simulations are compared to LES results for a stratocumulus case study and show that invoking the sedimentation-entrainment parameterization option indeed reduces the dependence of cloud liquid water path on increasing aerosol concentrations. Impacts of variations of the SCM configuration and the sedimentation-entrainment parameterization will be explored. Its impact on global aerosol indirect forcing in the framework of idealized atmospheric GCM simulations will also be assessed.

SIMULATING THE 'SLIDING DOORS' EFFECT THROUGH MAGNETIC FLUX EMERGENCE

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

MacTaggart, David; Hood, Alan W., E-mail: dm428@st-andrews.ac.u

2010-06-20

Recent Hinode photospheric vector magnetogram observations have shown that the opposite polarities of a long arcade structure move apart and then come together. In addition to this 'sliding doors' effect, orientations of horizontal magnetic fields along the polarity inversion line on the photosphere evolve from a normal-polarity configuration to an inverse one. To explain this behavior, a simple model by Okamoto et al. suggested that it is the result of the emergence of a twisted flux rope. Here, we model this scenario using a three-dimensional megnatohydrodynamic simulation of a twisted flux rope emerging into a pre-existing overlying arcade. We constructmore » magnetograms from the simulation and compare them with the observations. The model produces the two signatures mentioned above. However, the cause of the 'sliding doors' effect differs from the previous model.« less

Corrected goodness-of-fit test in covariance structure analysis.

PubMed

Hayakawa, Kazuhiko

2018-05-17

Many previous studies report simulation evidence that the goodness-of-fit test in covariance structure analysis or structural equation modeling suffers from the overrejection problem when the number of manifest variables is large compared with the sample size. In this study, we demonstrate that one of the tests considered in Browne (1974) can address this long-standing problem. We also propose a simple modification of Satorra and Bentler's mean and variance adjusted test for non-normal data. A Monte Carlo simulation is carried out to investigate the performance of the corrected tests in the context of a confirmatory factor model, a panel autoregressive model, and a cross-lagged panel (panel vector autoregressive) model. The simulation results reveal that the corrected tests overcome the overrejection problem and outperform existing tests in most cases. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Phase transitions in the q -voter model with noise on a duplex clique

NASA Astrophysics Data System (ADS)

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.

Effect of misspecification of gene frequency on the two-point LOD score.

PubMed

Pal, D K; Durner, M; Greenberg, D A

2001-11-01

In this study, we used computer simulation of simple and complex models to ask: (1) What is the penalty in evidence for linkage when the assumed gene frequency is far from the true gene frequency? (2) If the assumed model for gene frequency and inheritance are misspecified in the analysis, can this lead to a higher maximum LOD score than that obtained under the true parameters? Linkage data simulated under simple dominant, recessive, dominant and recessive with reduced penetrance, and additive models, were analysed assuming a single locus with both the correct and incorrect dominance model and assuming a range of different gene frequencies. We found that misspecifying the analysis gene frequency led to little penalty in maximum LOD score in all models examined, especially if the assumed gene frequency was lower than the generating one. Analysing linkage data assuming a gene frequency of the order of 0.01 for a dominant gene, and 0.1 for a recessive gene, appears to be a reasonable tactic in the majority of realistic situations because underestimating the gene frequency, even when the true gene frequency is high, leads to little penalty in the LOD score.

Modelling stream aquifer seepage in an alluvial aquifer: an improved loosing-stream package for MODFLOW

NASA Astrophysics Data System (ADS)

Osman, Yassin Z.; Bruen, Michael P.

2002-07-01

Seepage from a stream, which partially penetrates an unconfined alluvial aquifer, is studied for the case when the water table falls below the streambed level. Inadequacies are identified in current modelling approaches to this situation. A simple and improved method of incorporating such seepage into groundwater models is presented. This considers the effect on seepage flow of suction in the unsaturated part of the aquifer below a disconnected stream and allows for the variation of seepage with water table fluctuations. The suggested technique is incorporated into the saturated code MODFLOW and is tested by comparing its predictions with those of a widely used variably saturated model, SWMS_2D simulating water flow and solute transport in two-dimensional variably saturated media. Comparisons are made of both seepage flows and local mounding of the water table. The suggested technique compares very well with the results of variably saturated model simulations. Most currently used approaches are shown to underestimate the seepage and associated local water table mounding, sometimes substantially. The proposed method is simple, easy to implement and requires only a small amount of additional data about the aquifer hydraulic properties.

The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model

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

Alcaraz, Olga; Trullàs, Joaquim, E-mail: quim.trullas@upc.edu; Tahara, Shuta

2016-09-07

The results of the structural properties of molten copper chloride are reported from high-energy X-ray diffraction measurements, reverse Monte Carlo modeling method, and molecular dynamics simulations using a polarizable ion model. The simulated X-ray structure factor reproduces all trends observed experimentally, in particular the shoulder at around 1 Å{sup −1} related to intermediate range ordering, as well as the partial copper-copper correlations from the reverse Monte Carlo modeling, which cannot be reproduced by using a simple rigid ion model. It is shown that the shoulder comes from intermediate range copper-copper correlations caused by the polarized chlorides.

Numerical simulation of failure behavior of granular debris flows based on flume model tests.

PubMed

Zhou, Jian; Li, Ye-xun; Jia, Min-cai; Li, Cui-na

2013-01-01

In this study, the failure behaviors of debris flows were studied by flume model tests with artificial rainfall and numerical simulations (PFC(3D)). Model tests revealed that grain sizes distribution had profound effects on failure mode, and the failure in slope of medium sand started with cracks at crest and took the form of retrogressive toe sliding failure. With the increase of fine particles in soil, the failure mode of the slopes changed to fluidized flow. The discrete element method PFC(3D) can overcome the hypothesis of the traditional continuous medium mechanic and consider the simple characteristics of particle. Thus, a numerical simulations model considering liquid-solid coupled method has been developed to simulate the debris flow. Comparing the experimental results, the numerical simulation result indicated that the failure mode of the failure of medium sand slope was retrogressive toe sliding, and the failure of fine sand slope was fluidized sliding. The simulation result is consistent with the model test and theoretical analysis, and grain sizes distribution caused different failure behavior of granular debris flows. This research should be a guide to explore the theory of debris flow and to improve the prevention and reduction of debris flow.

Simple cubic equation of state applied to hard-sphere, Lennard-Jones fluids, simple fluids and solids

NASA Astrophysics Data System (ADS)

Sun, Jiu-Xun; Cai, Ling-Cang; Wu, Qiang; Jin, Ke

2013-09-01

Based on the expansion and extension of the virial equation of state (EOS) of hard-sphere fluids solved by the Percus-Yevick integration equation, a universal cubic (UC) EOS is developed. The UC EOS is applied to model hard-sphere and Lennard-Jones (LJ) fluids, simple Ar and N2 liquids at low temperatures, and supercritical Ar and N2 fluids at high temperatures, as well as ten solids, respectively. The three parameters are determined for the hard-sphere fluid by fitting molecular dynamics (MD) simulation data of the third to eighth virial coefficients in the literature; for other fluids by fitting isothermal compression data; and for solids by using the Einstein model. The results show that the UC EOS gives better results than the Carnahan-Starling EOS for compressibility of hard-sphere fluids. The Helmholtz free energy and internal energy for LJ fluids are predicted and compared with MD simulation data. The calculated pressures for simple Ar and N2 liquids are compared with experimental data. The agreement is fairly good. Eight three-parameter EOSs are applied to describe isothermals of ten typical solids. It is shown that the UC EOS gives the best precision with correct behavior at high-pressure limitation. The UC EOS considering thermal effects is used to analytically evaluate the isobaric thermal expansivity and isothermal compressibility coefficients. The results are in good agreement with experimental data.

Kinetics of DSB rejoining and formation of simple chromosome exchange aberrations

NASA Technical Reports Server (NTRS)

Cucinotta, F. A.; Nikjoo, H.; O'Neill, P.; Goodhead, D. T.

2000-01-01

PURPOSE: To investigate the role of kinetics in the processing of DNA double strand breaks (DSB), and the formation of simple chromosome exchange aberrations following X-ray exposures to mammalian cells based on an enzymatic approach. METHODS: Using computer simulations based on a biochemical approach, rate-equations that describe the processing of DSB through the formation of a DNA-enzyme complex were formulated. A second model that allows for competition between two processing pathways was also formulated. The formation of simple exchange aberrations was modelled as misrepair during the recombination of single DSB with undamaged DNA. Non-linear coupled differential equations corresponding to biochemical pathways were solved numerically by fitting to experimental data. RESULTS: When mediated by a DSB repair enzyme complex, the processing of single DSB showed a complex behaviour that gives the appearance of fast and slow components of rejoining. This is due to the time-delay caused by the action time of enzymes in biomolecular reactions. It is shown that the kinetic- and dose-responses of simple chromosome exchange aberrations are well described by a recombination model of DSB interacting with undamaged DNA when aberration formation increases with linear dose-dependence. Competition between two or more recombination processes is shown to lead to the formation of simple exchange aberrations with a dose-dependence similar to that of a linear quadratic model. CONCLUSIONS: Using a minimal number of assumptions, the kinetics and dose response observed experimentally for DSB rejoining and the formation of simple chromosome exchange aberrations are shown to be consistent with kinetic models based on enzymatic reaction approaches. A non-linear dose response for simple exchange aberrations is possible in a model of recombination of DNA containing a DSB with undamaged DNA when two or more pathways compete for DSB repair.

Chesapeake Bay Sediment Flux Model

DTIC Science & Technology

1993-06-01

1988; Van der Molen , -88- 1991; Yoshida, 1981.) The model developed below is based on both of these approaches. It incorporates the diagenetic...288: pp. 289-333. Van der Molen , D.T. (1991): A simple, dynamic model for the simulation of the release of phosphorus from sediments in shallow...1974; Berner, 1980; van Cappellen and Berner, 1988). These relate the diagenetic production of phosphate to the resulting pore water concentration

The distribution of density in supersonic turbulence

NASA Astrophysics Data System (ADS)

Squire, Jonathan; Hopkins, Philip F.

2017-11-01

We propose a model for the statistics of the mass density in supersonic turbulence, which plays a crucial role in star formation and the physics of the interstellar medium (ISM). The model is derived by considering the density to be arranged as a collection of strong shocks of width ˜ M^{-2}, where M is the turbulent Mach number. With two physically motivated parameters, the model predicts all density statistics for M>1 turbulence: the density probability distribution and its intermittency (deviation from lognormality), the density variance-Mach number relation, power spectra and structure functions. For the proposed model parameters, reasonable agreement is seen between model predictions and numerical simulations, albeit within the large uncertainties associated with current simulation results. More generally, the model could provide a useful framework for more detailed analysis of future simulations and observational data. Due to the simple physical motivations for the model in terms of shocks, it is straightforward to generalize to more complex physical processes, which will be helpful in future more detailed applications to the ISM. We see good qualitative agreement between such extensions and recent simulations of non-isothermal turbulence.

Stair evacuation simulation based on cellular automata considering evacuees’ walk preferences

NASA Astrophysics Data System (ADS)

Ding, Ning; Zhang, Hui; Chen, Tao; Peter, B. Luh

2015-06-01

As a physical model, the cellular automata (CA) model is widely used in many areas, such as stair evacuation. However, existing CA models do not consider evacuees’ walk preferences nor psychological status, and the structure of the basic model is unapplicable for the stair structure. This paper is to improve the stair evacuation simulation by addressing these issues, and a new cellular automata model is established. Several evacuees’ walk preference and how evacuee’s psychology influences their behaviors are introduced into this model. Evacuees’ speeds will be influenced by these features. To validate this simulation, two fire drills held in two high-rise buildings are video-recorded. It is found that the simulation results are similar to the fire drill results. The structure of this model is simple, and it is easy to further develop and utilize in different buildings with various kinds of occupants. Project supported by the National Basic Research Program of China (Grant No. 2012CB719705) and the National Natural Science Foundation of China (Grant Nos. 91224008, 91024032, and 71373139).

Identifying a key physical factor sensitive to the performance of Madden-Julian oscillation simulation in climate models

NASA Astrophysics Data System (ADS)

Kim, Go-Un; Seo, Kyong-Hwan

2018-01-01

A key physical factor in regulating the performance of Madden-Julian oscillation (MJO) simulation is examined by using 26 climate model simulations from the World Meteorological Organization's Working Group for Numerical Experimentation/Global Energy and Water Cycle Experiment Atmospheric System Study (WGNE and MJO-Task Force/GASS) global model comparison project. For this, intraseasonal moisture budget equation is analyzed and a simple, efficient physical quantity is developed. The result shows that MJO skill is most sensitive to vertically integrated intraseasonal zonal wind convergence (ZC). In particular, a specific threshold value of the strength of the ZC can be used as distinguishing between good and poor models. An additional finding is that good models exhibit the correct simultaneous convection and large-scale circulation phase relationship. In poor models, however, the peak circulation response appears 3 days after peak rainfall, suggesting unfavorable coupling between convection and circulation. For an improving simulation of the MJO in climate models, we propose that this delay of circulation in response to convection needs to be corrected in the cumulus parameterization scheme.

Contact dynamics math model

NASA Technical Reports Server (NTRS)

Glaese, John R.; Tobbe, Patrick A.

1986-01-01

The Space Station Mechanism Test Bed consists of a hydraulically driven, computer controlled six degree of freedom (DOF) motion system with which docking, berthing, and other mechanisms can be evaluated. Measured contact forces and moments are provided to the simulation host computer to enable representation of orbital contact dynamics. This report describes the development of a generalized math model which represents the relative motion between two rigid orbiting vehicles. The model allows motion in six DOF for each body, with no vehicle size limitation. The rotational and translational equations of motion are derived. The method used to transform the forces and moments from the sensor location to the vehicles' centers of mass is also explained. Two math models of docking mechanisms, a simple translational spring and the Remote Manipulator System end effector, are presented along with simulation results. The translational spring model is used in an attempt to verify the simulation with compensated hardware in the loop results.

WEC3: Wave Energy Converter Code Comparison Project: Preprint

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

Combourieu, Adrien; Lawson, Michael; Babarit, Aurelien

This paper describes the recently launched Wave Energy Converter Code Comparison (WEC3) project and present preliminary results from this effort. The objectives of WEC3 are to verify and validate numerical modelling tools that have been developed specifically to simulate wave energy conversion devices and to inform the upcoming IEA OES Annex VI Ocean Energy Modelling Verification and Validation project. WEC3 is divided into two phases. Phase 1 consists of a code-to-code verification and Phase II entails code-to-experiment validation. WEC3 focuses on mid-fidelity codes that simulate WECs using time-domain multibody dynamics methods to model device motions and hydrodynamic coefficients to modelmore » hydrodynamic forces. Consequently, high-fidelity numerical modelling tools, such as Navier-Stokes computational fluid dynamics simulation, and simple frequency domain modelling tools were not included in the WEC3 project.« less

A Framework for Modeling and Simulation of the Artificial

DTIC Science & Technology

2012-01-01

y or n) >> y Name: petra Simple Aspects: face_shape/thin, nose/small, skintone/light, hair_color/black, hair_type/curly Integrated Aspects...Multiconference. Orlando, FL (2012) 23. Mittal, S., Risco- Martin , J.: Netcentric System of Systems Engineering with DEVS Unified Process. CRC Press (2012) 24...Mittal, S., Risco- Martin , J., Zeigler, B.: DEVS-based simulation web services for net-centric T&E. In: Proceedings of the 2007 summer computer

Superior memory efficiency of quantum devices for the simulation of continuous-time stochastic processes

NASA Astrophysics Data System (ADS)

Elliott, Thomas J.; Gu, Mile

2018-03-01

Continuous-time stochastic processes pervade everyday experience, and the simulation of models of these processes is of great utility. Classical models of systems operating in continuous-time must typically track an unbounded amount of information about past behaviour, even for relatively simple models, enforcing limits on precision due to the finite memory of the machine. However, quantum machines can require less information about the past than even their optimal classical counterparts to simulate the future of discrete-time processes, and we demonstrate that this advantage extends to the continuous-time regime. Moreover, we show that this reduction in the memory requirement can be unboundedly large, allowing for arbitrary precision even with a finite quantum memory. We provide a systematic method for finding superior quantum constructions, and a protocol for analogue simulation of continuous-time renewal processes with a quantum machine.

Large-eddy simulation of a boundary layer with concave streamwise curvature

NASA Technical Reports Server (NTRS)

Lund, Thomas S.

1994-01-01

Turbulence modeling continues to be one of the most difficult problems in fluid mechanics. Existing prediction methods are well developed for certain classes of simple equilibrium flows, but are still not entirely satisfactory for a large category of complex non-equilibrium flows found in engineering practice. Direct and large-eddy simulation (LES) approaches have long been believed to have great potential for the accurate prediction of difficult turbulent flows, but the associated computational cost has been prohibitive for practical problems. This remains true for direct simulation but is no longer clear for large-eddy simulation. Advances in computer hardware, numerical methods, and subgrid-scale modeling have made it possible to conduct LES for flows or practical interest at Reynolds numbers in the range of laboratory experiments. The objective of this work is to apply ES and the dynamic subgrid-scale model to the flow of a boundary layer over a concave surface.

Earth System Modeling 2.0: A Blueprint for Models That Learn From Observations and Targeted High-Resolution Simulations

NASA Astrophysics Data System (ADS)

Schneider, Tapio; Lan, Shiwei; Stuart, Andrew; Teixeira, João.

2017-12-01

Climate projections continue to be marred by large uncertainties, which originate in processes that need to be parameterized, such as clouds, convection, and ecosystems. But rapid progress is now within reach. New computational tools and methods from data assimilation and machine learning make it possible to integrate global observations and local high-resolution simulations in an Earth system model (ESM) that systematically learns from both and quantifies uncertainties. Here we propose a blueprint for such an ESM. We outline how parameterization schemes can learn from global observations and targeted high-resolution simulations, for example, of clouds and convection, through matching low-order statistics between ESMs, observations, and high-resolution simulations. We illustrate learning algorithms for ESMs with a simple dynamical system that shares characteristics of the climate system; and we discuss the opportunities the proposed framework presents and the challenges that remain to realize it.

Simple, Fast and Accurate Implementation of the Diffusion Approximation Algorithm for Stochastic Ion Channels with Multiple States

PubMed Central

Orio, Patricio; Soudry, Daniel

2012-01-01

Background The phenomena that emerge from the interaction of the stochastic opening and closing of ion channels (channel noise) with the non-linear neural dynamics are essential to our understanding of the operation of the nervous system. The effects that channel noise can have on neural dynamics are generally studied using numerical simulations of stochastic models. Algorithms based on discrete Markov Chains (MC) seem to be the most reliable and trustworthy, but even optimized algorithms come with a non-negligible computational cost. Diffusion Approximation (DA) methods use Stochastic Differential Equations (SDE) to approximate the behavior of a number of MCs, considerably speeding up simulation times. However, model comparisons have suggested that DA methods did not lead to the same results as in MC modeling in terms of channel noise statistics and effects on excitability. Recently, it was shown that the difference arose because MCs were modeled with coupled gating particles, while the DA was modeled using uncoupled gating particles. Implementations of DA with coupled particles, in the context of a specific kinetic scheme, yielded similar results to MC. However, it remained unclear how to generalize these implementations to different kinetic schemes, or whether they were faster than MC algorithms. Additionally, a steady state approximation was used for the stochastic terms, which, as we show here, can introduce significant inaccuracies. Main Contributions We derived the SDE explicitly for any given ion channel kinetic scheme. The resulting generic equations were surprisingly simple and interpretable – allowing an easy, transparent and efficient DA implementation, avoiding unnecessary approximations. The algorithm was tested in a voltage clamp simulation and in two different current clamp simulations, yielding the same results as MC modeling. Also, the simulation efficiency of this DA method demonstrated considerable superiority over MC methods, except when short time steps or low channel numbers were used. PMID:22629320

Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.

NASA Astrophysics Data System (ADS)

Plimpton, Steven James

Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal structures and their diffusion coefficients calculated. Good agreement is found with the dislocation pipe model for tilt boundary diffusion.

Quantifying sampling noise and parametric uncertainty in atomistic-to-continuum simulations using surrogate models

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

Salloum, Maher N.; Sargsyan, Khachik; Jones, Reese E.

2015-08-11

We present a methodology to assess the predictive fidelity of multiscale simulations by incorporating uncertainty in the information exchanged between the components of an atomistic-to-continuum simulation. We account for both the uncertainty due to finite sampling in molecular dynamics (MD) simulations and the uncertainty in the physical parameters of the model. Using Bayesian inference, we represent the expensive atomistic component by a surrogate model that relates the long-term output of the atomistic simulation to its uncertain inputs. We then present algorithms to solve for the variables exchanged across the atomistic-continuum interface in terms of polynomial chaos expansions (PCEs). We alsomore » consider a simple Couette flow where velocities are exchanged between the atomistic and continuum components, while accounting for uncertainty in the atomistic model parameters and the continuum boundary conditions. Results show convergence of the coupling algorithm at a reasonable number of iterations. As a result, the uncertainty in the obtained variables significantly depends on the amount of data sampled from the MD simulations and on the width of the time averaging window used in the MD simulations.« less

Chemistry Notes.

ERIC Educational Resources Information Center

School Science Review, 1984

1984-01-01

Presents an experiment which links mass spectrometry to gas chromatography. Also presents a simulation of iron extraction using a ZX81 computer and discussions of Fehling versus Benedict's solutions, transition metal ammine complexes, electrochemical and other chemical series, and a simple model of dynamic equilibria. (JN)

A Simple Lightning Assimilation Technique For Improving Retrospective WRF Simulations

EPA Science Inventory

Convective rainfall is often a large source of error in retrospective modeling applications. In particular, positive rainfall biases commonly exist during summer months due to overactive convective parameterizations. In this study, lightning assimilation was applied in the Kain...

A simple lightning assimilation technique for improving retrospective WRF simulations.

EPA Science Inventory

Convective rainfall is often a large source of error in retrospective modeling applications. In particular, positive rainfall biases commonly exist during summer months due to overactive convective parameterizations. In this study, lightning assimilation was applied in the Kain-F...

Using the Graded Response Model to Control Spurious Interactions in Moderated Multiple Regression

ERIC Educational Resources Information Center

Morse, Brendan J.; Johanson, George A.; Griffeth, Rodger W.

2012-01-01

Recent simulation research has demonstrated that using simple raw score to operationalize a latent construct can result in inflated Type I error rates for the interaction term of a moderated statistical model when the interaction (or lack thereof) is proposed at the latent variable level. Rescaling the scores using an appropriate item response…

Simulating initial attack with two fire containment models

Treesearch

Romain M. Mees

1985-01-01

Given a variable rate of fireline construction and an elliptical fire growth model, two methods for estimating the required number of resources, time to containment, and the resulting fire area were compared. Five examples illustrate some of the computational differences between the simple and the complex methods. The equations for the two methods can be used and...

Continuous "in vitro" Evolution of a Ribozyme Ligase: A Model Experiment for the Evolution of a Biomolecule

ERIC Educational Resources Information Center

Ledbetter, Michael P.; Hwang, Tony W.; Stovall, Gwendolyn M.; Ellington, Andrew D.

2013-01-01

Evolution is a defining criterion of life and is central to understanding biological systems. However, the timescale of evolutionary shifts in phenotype limits most classroom evolution experiments to simple probability simulations. "In vitro" directed evolution (IVDE) frequently serves as a model system for the study of Darwinian…

Computational Modeling of Statistical Learning: Effects of Transitional Probability versus Frequency and Links to Word Learning

ERIC Educational Resources Information Center

Mirman, Daniel; Estes, Katharine Graf; Magnuson, James S.

2010-01-01

Statistical learning mechanisms play an important role in theories of language acquisition and processing. Recurrent neural network models have provided important insights into how these mechanisms might operate. We examined whether such networks capture two key findings in human statistical learning. In Simulation 1, a simple recurrent network…

Geospatial application of the Water Erosion Prediction Project (WEPP) model

Treesearch

D. C. Flanagan; J. R. Frankenberger; T. A. Cochrane; C. S. Renschler; W. J. Elliot

2013-01-01

At the hillslope profile and/or field scale, a simple Windows graphical user interface (GUI) is available to easily specify the slope, soil, and management inputs for application of the USDA Water Erosion Prediction Project (WEPP) model. Likewise, basic small watershed configurations of a few hillslopes and channels can be created and simulated with this GUI. However,...

How well the Reliable Ensemble Averaging Method (REA) for 15 CMIP5 GCMs simulations works for Mexico?

NASA Astrophysics Data System (ADS)

Colorado, G.; Salinas, J. A.; Cavazos, T.; de Grau, P.

2013-05-01

15 CMIP5 GCMs precipitation simulations were combined in a weighted ensemble using the Reliable Ensemble Averaging (REA) method, obtaining the weight of each model. This was done for a historical period (1961-2000) and for the future emissions based on low (RCP4.5) and high (RCP8.5) radiating forcing for the period 2075-2099. The annual cycle of simple ensemble of the historical GCMs simulations, the historical REA average and the Climate Research Unit (CRU TS3.1) database was compared in four zones of México. In the case of precipitation we can see the improvements by using the REA method, especially in the two northern zones of México where the REA average is more close to the observations (CRU) that the simple average. However in the southern zones although there is an improvement it is not as good as it is in the north, particularly in the southeast where instead of the REA average is able to reproduce qualitatively good the annual cycle with the mid-summer drought it was greatly underestimated. The main reason is because the precipitation is underestimated for all the models and the mid-summer drought do not even exists in some models. In the REA average of the future scenarios, as we can expected, the most drastic decrease in precipitation was simulated using the RCP8.5 especially in the monsoon area and in the south of Mexico in summer and in winter. In the center and southern of Mexico however, the same scenario in autumn simulates an increase of precipitation.

Modeling procedures for handling qualities evaluation of flexible aircraft

NASA Technical Reports Server (NTRS)

Govindaraj, K. S.; Eulrich, B. J.; Chalk, C. R.

1981-01-01

This paper presents simplified modeling procedures to evaluate the impact of flexible modes and the unsteady aerodynamic effects on the handling qualities of Supersonic Cruise Aircraft (SCR). The modeling procedures involve obtaining reduced order transfer function models of SCR vehicles, including the important flexible mode responses and unsteady aerodynamic effects, and conversion of the transfer function models to time domain equations for use in simulations. The use of the modeling procedures is illustrated by a simple example.

Kinetic Theory and Simulation of Single-Channel Water Transport

NASA Astrophysics Data System (ADS)

Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus

Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.

Comparison of continuum and particle simulations of expanding rarefied flows

NASA Technical Reports Server (NTRS)

Lumpkin, Forrest E., III; Boyd, Iain D.; Venkatapathy, Ethiraj

1993-01-01

Comparisons of Navier-Stokes solutions and particle simulations for a simple two-dimensional model problem at a succession of altitudes are performed in order to assess the importance of rarefaction effects on the base flow region. In addition, an attempt is made to include 'Burnett-type' extensions to the Navier-Stokes constitutive relations. The model geometry consists of a simple blunted wedge with a 0.425 meter nose radius, a 70 deg cone half angle, a 1.7 meter base length, and a rounded shoulder. The working gas is monatomic with a molecular weight and viscosity similar to air and was chosen to focus the study on the continuum and particle methodologies rather than the implementation of thermo-chemical modeling. Three cases are investigated, all at Mach 29, with densities corresponding to altitudes of 92 km, 99 km, and 105 km. At the lowest altitude, Navier-Stokes solutions agree well with particle simulations. At the higher altitudes, the Navier-Stokes equations become less accurate. In particular, the Navier-Stokes equations and particle method predict substantially different flow turning angle in the wake near the after body. Attempts to achieve steady continuum solutions including 'Burnett-type' terms failed. Further research is required to determine whether the boundary conditions, the equations themselves, or other unknown causes led to this failure.

Modeling error in experimental assays using the bootstrap principle: Understanding discrepancies between assays using different dispensing technologies

PubMed Central

Hanson, Sonya M.; Ekins, Sean; Chodera, John D.

2015-01-01

All experimental assay data contains error, but the magnitude, type, and primary origin of this error is often not obvious. Here, we describe a simple set of assay modeling techniques based on the bootstrap principle that allow sources of error and bias to be simulated and propagated into assay results. We demonstrate how deceptively simple operations—such as the creation of a dilution series with a robotic liquid handler—can significantly amplify imprecision and even contribute substantially to bias. To illustrate these techniques, we review an example of how the choice of dispensing technology can impact assay measurements, and show how large contributions to discrepancies between assays can be easily understood and potentially corrected for. These simple modeling techniques—illustrated with an accompanying IPython notebook—can allow modelers to understand the expected error and bias in experimental datasets, and even help experimentalists design assays to more effectively reach accuracy and imprecision goals. PMID:26678597

Simple Kinematic Pathway Approach (KPA) to Catchment-scale Travel Time and Water Age Distributions

NASA Astrophysics Data System (ADS)

Soltani, S. S.; Cvetkovic, V.; Destouni, G.

2017-12-01

The distribution of catchment-scale water travel times is strongly influenced by morphological dispersion and is partitioned between hillslope and larger, regional scales. We explore whether hillslope travel times are predictable using a simple semi-analytical "kinematic pathway approach" (KPA) that accounts for dispersion on two levels of morphological and macro-dispersion. The study gives new insights to shallow (hillslope) and deep (regional) groundwater travel times by comparing numerical simulations of travel time distributions, referred to as "dynamic model", with corresponding KPA computations for three different real catchment case studies in Sweden. KPA uses basic structural and hydrological data to compute transient water travel time (forward mode) and age (backward mode) distributions at the catchment outlet. Longitudinal and morphological dispersion components are reflected in KPA computations by assuming an effective Peclet number and topographically driven pathway length distributions, respectively. Numerical simulations of advective travel times are obtained by means of particle tracking using the fully-integrated flow model MIKE SHE. The comparison of computed cumulative distribution functions of travel times shows significant influence of morphological dispersion and groundwater recharge rate on the compatibility of the "kinematic pathway" and "dynamic" models. Zones of high recharge rate in "dynamic" models are associated with topographically driven groundwater flow paths to adjacent discharge zones, e.g. rivers and lakes, through relatively shallow pathway compartments. These zones exhibit more compatible behavior between "dynamic" and "kinematic pathway" models than the zones of low recharge rate. Interestingly, the travel time distributions of hillslope compartments remain almost unchanged with increasing recharge rates in the "dynamic" models. This robust "dynamic" model behavior suggests that flow path lengths and travel times in shallow hillslope compartments are controlled by topography, and therefore application and further development of the simple "kinematic pathway" approach is promising for their modeling.

Preliminary results from a four-working space, double-acting piston, Stirling engine controls model

NASA Technical Reports Server (NTRS)

Daniele, C. J.; Lorenzo, C. F.

1980-01-01

A four working space, double acting piston, Stirling engine simulation is being developed for controls studies. The development method is to construct two simulations, one for detailed fluid behavior, and a second model with simple fluid behaviour but containing the four working space aspects and engine inertias, validate these models separately, then upgrade the four working space model by incorporating the detailed fluid behaviour model for all four working spaces. The single working space (SWS) model contains the detailed fluid dynamics. It has seven control volumes in which continuity, energy, and pressure loss effects are simulated. Comparison of the SWS model with experimental data shows reasonable agreement in net power versus speed characteristics for various mean pressure levels in the working space. The four working space (FWS) model was built to observe the behaviour of the whole engine. The drive dynamics and vehicle inertia effects are simulated. To reduce calculation time, only three volumes are used in each working space and the gas temperature are fixed (no energy equation). Comparison of the FWS model predicted power with experimental data shows reasonable agreement. Since all four working spaces are simulated, the unique capabilities of the model are exercised to look at working fluid supply transients, short circuit transients, and piston ring leakage effects.

Liquid-liquid critical point in a simple analytical model of water.

PubMed

Urbic, Tomaz

2016-10-01

A statistical model for a simple three-dimensional Mercedes-Benz model of water was used to study phase diagrams. This model on a simple level describes the thermal and volumetric properties of waterlike molecules. A molecule is presented as a soft sphere with four directions in which hydrogen bonds can be formed. Two neighboring waters can interact through a van der Waals interaction or an orientation-dependent hydrogen-bonding interaction. For pure water, we explored properties such as molar volume, density, heat capacity, thermal expansion coefficient, and isothermal compressibility and found that the volumetric and thermal properties follow the same trends with temperature as in real water and are in good general agreement with Monte Carlo simulations. The model exhibits also two critical points for liquid-gas transition and transition between low-density and high-density fluid. Coexistence curves and a Widom line for the maximum and minimum in thermal expansion coefficient divides the phase space of the model into three parts: in one part we have gas region, in the second a high-density liquid, and the third region contains low-density liquid.

Liquid-liquid critical point in a simple analytical model of water

NASA Astrophysics Data System (ADS)

Urbic, Tomaz

2016-10-01

A statistical model for a simple three-dimensional Mercedes-Benz model of water was used to study phase diagrams. This model on a simple level describes the thermal and volumetric properties of waterlike molecules. A molecule is presented as a soft sphere with four directions in which hydrogen bonds can be formed. Two neighboring waters can interact through a van der Waals interaction or an orientation-dependent hydrogen-bonding interaction. For pure water, we explored properties such as molar volume, density, heat capacity, thermal expansion coefficient, and isothermal compressibility and found that the volumetric and thermal properties follow the same trends with temperature as in real water and are in good general agreement with Monte Carlo simulations. The model exhibits also two critical points for liquid-gas transition and transition between low-density and high-density fluid. Coexistence curves and a Widom line for the maximum and minimum in thermal expansion coefficient divides the phase space of the model into three parts: in one part we have gas region, in the second a high-density liquid, and the third region contains low-density liquid.

Construction of multi-functional open modulized Matlab simulation toolbox for imaging ladar system

NASA Astrophysics Data System (ADS)

Wu, Long; Zhao, Yuan; Tang, Meng; He, Jiang; Zhang, Yong

2011-06-01

Ladar system simulation is to simulate the ladar models using computer simulation technology in order to predict the performance of the ladar system. This paper presents the developments of laser imaging radar simulation for domestic and overseas studies and the studies of computer simulation on ladar system with different application requests. The LadarSim and FOI-LadarSIM simulation facilities of Utah State University and Swedish Defence Research Agency are introduced in details. This paper presents the low level of simulation scale, un-unified design and applications of domestic researches in imaging ladar system simulation, which are mostly to achieve simple function simulation based on ranging equations for ladar systems. Design of laser imaging radar simulation with open and modularized structure is proposed to design unified modules for ladar system, laser emitter, atmosphere models, target models, signal receiver, parameters setting and system controller. Unified Matlab toolbox and standard control modules have been built with regulated input and output of the functions, and the communication protocols between hardware modules. A simulation based on ICCD gain-modulated imaging ladar system for a space shuttle is made based on the toolbox. The simulation result shows that the models and parameter settings of the Matlab toolbox are able to simulate the actual detection process precisely. The unified control module and pre-defined parameter settings simplify the simulation of imaging ladar detection. Its open structures enable the toolbox to be modified for specialized requests. The modulization gives simulations flexibility.

Marcus-Hush-Chidsey theory of electron transfer to and from species bound at a non-uniform electrode surface: Theory and experiment

NASA Astrophysics Data System (ADS)

Henstridge, Martin C.; Batchelor-McAuley, Christopher; Gusmão, Rui; Compton, Richard G.

2011-11-01

Two simple models of electrode surface inhomogeneity based on Marcus-Hush theory are considered; a distribution in formal potentials and a distribution in electron tunnelling distances. Cyclic voltammetry simulated using these models is compared with that simulated using Marcus-Hush theory for a flat, uniform and homogeneous electrode surface, with the two models of surface inhomogeneity yielding broadened peaks with decreased peak-currents. An edge-plane pyrolytic graphite electrode is covalently modified with ferrocene via 'click' chemistry and the resulting voltammetry compared with each of the three previously considered models. The distribution of formal potentials is seen to fit the experimental data most closely.

Simulation of charge exchange plasma propagation near an ion thruster propelled spacecraft

NASA Technical Reports Server (NTRS)

Robinson, R. S.; Kaufman, H. R.; Winder, D. R.

1981-01-01

A model describing the charge exchange plasma and its propagation is discussed, along with a computer code based on the model. The geometry of an idealized spacecraft having an ion thruster is outlined, with attention given to the assumptions used in modeling the ion beam. Also presented is the distribution function describing charge exchange production. The barometric equation is used in relating the variation in plasma potential to the variation in plasma density. The numerical methods and approximations employed in the calculations are discussed, and comparisons are made between the computer simulation and experimental data. An analytical solution of a simple configuration is also used in verifying the model.

Evolution of cosmic string networks

NASA Technical Reports Server (NTRS)

Albrecht, Andreas; Turok, Neil

1989-01-01

A discussion of the evolution and observable consequences of a network of cosmic strings is given. A simple model for the evolution of the string network is presented, and related to the statistical mechanics of string networks. The model predicts the long string density throughout the history of the universe from a single parameter, which researchers calculate in radiation era simulations. The statistical mechanics arguments indicate a particular thermal form for the spectrum of loops chopped off the network. Detailed numerical simulations of string networks in expanding backgrounds are performed to test the model. Consequences for large scale structure, the microwave and gravity wave backgrounds, nucleosynthesis and gravitational lensing are calculated.

Upgrades to the REA method for producing probabilistic climate change projections

NASA Astrophysics Data System (ADS)

Xu, Ying; Gao, Xuejie; Giorgi, Filippo

2010-05-01

We present an augmented version of the Reliability Ensemble Averaging (REA) method designed to generate probabilistic climate change information from ensembles of climate model simulations. Compared to the original version, the augmented one includes consideration of multiple variables and statistics in the calculation of the performance-based weights. In addition, the model convergence criterion previously employed is removed. The method is applied to the calculation of changes in mean and variability for temperature and precipitation over different sub-regions of East Asia based on the recently completed CMIP3 multi-model ensemble. Comparison of the new and old REA methods, along with the simple averaging procedure, and the use of different combinations of performance metrics shows that at fine sub-regional scales the choice of weighting is relevant. This is mostly because the models show a substantial spread in performance for the simulation of precipitation statistics, a result that supports the use of model weighting as a useful option to account for wide ranges of quality of models. The REA method, and in particular the upgraded one, provides a simple and flexible framework for assessing the uncertainty related to the aggregation of results from ensembles of models in order to produce climate change information at the regional scale. KEY WORDS: REA method, Climate change, CMIP3

Robust estimation of cerebral hemodynamics in neonates using multilayered diffusion model for normal and oblique incidences

NASA Astrophysics Data System (ADS)

Steinberg, Idan; Harbater, Osnat; Gannot, Israel

2014-07-01

The diffusion approximation is useful for many optical diagnostics modalities, such as near-infrared spectroscopy. However, the simple normal incidence, semi-infinite layer model may prove lacking in estimation of deep-tissue optical properties such as required for monitoring cerebral hemodynamics, especially in neonates. To answer this need, we present an analytical multilayered, oblique incidence diffusion model. Initially, the model equations are derived in vector-matrix form to facilitate fast and simple computation. Then, the spatiotemporal reflectance predicted by the model for a complex neonate head is compared with time-resolved Monte Carlo (TRMC) simulations under a wide range of physiologically feasible parameters. The high accuracy of the multilayer model is demonstrated in that the deviation from TRMC simulations is only a few percent even under the toughest conditions. We then turn to solve the inverse problem and estimate the oxygen saturation of deep brain tissues based on the temporal and spatial behaviors of the reflectance. Results indicate that temporal features of the reflectance are more sensitive to deep-layer optical parameters. The accuracy of estimation is shown to be more accurate and robust than the commonly used single-layer diffusion model. Finally, the limitations of such approaches are discussed thoroughly.

A finite volume model simulation for the Broughton Archipelago, Canada

NASA Astrophysics Data System (ADS)

Foreman, M. G. G.; Czajko, P.; Stucchi, D. J.; Guo, M.

A finite volume circulation model is applied to the Broughton Archipelago region of British Columbia, Canada and used to simulate the three-dimensional velocity, temperature, and salinity fields that are required by a companion model for sea lice behaviour, development, and transport. The absence of a high resolution atmospheric model necessitated the installation of nine weather stations throughout the region and the development of a simple data assimilation technique that accounts for topographic steering in interpolating/extrapolating the measured winds to the entire model domain. The circulation model is run for the period of March 13-April 3, 2008 and correlation coefficients between observed and model currents, comparisons between model and observed tidal harmonics, and root mean square differences between observed and model temperatures and salinities all showed generally good agreement. The importance of wind forcing in the near-surface circulation, differences between this simulation and one computed with another model, the effects of bathymetric smoothing on channel velocities, further improvements necessary for this model to accurately simulate conditions in May and June, and the implication of near-surface current patterns at a critical location in the 'migration corridor' of wild juvenile salmon, are also discussed.

Non-iterative distance constraints enforcement for cloth drapes simulation

NASA Astrophysics Data System (ADS)

Hidajat, R. L. L. G.; Wibowo, Arifin, Z.; Suyitno

2016-03-01

A cloth simulation represents the behavior of cloth objects such as flag, tablecloth, or even garments has application in clothing animation for games and virtual shops. Elastically deformable models have widely used to provide realistic and efficient simulation, however problem of overstretching is encountered. We introduce a new cloth simulation algorithm that replaces iterative distance constraint enforcement steps with non-iterative ones for preventing over stretching in a spring-mass system for cloth modeling. Our method is based on a simple position correction procedure applied at one end of a spring. In our experiments, we developed a rectangle cloth model which is initially at a horizontal position with one point is fixed, and it is allowed to drape by its own weight. Our simulation is able to achieve a plausible cloth drapes as in reality. This paper aims to demonstrate the reliability of our approach to overcome overstretches while decreasing the computational cost of the constraint enforcement process due to an iterative procedure that is eliminated.

A physics-based algorithm for real-time simulation of electrosurgery procedures in minimally invasive surgery.

PubMed

Lu, Zhonghua; Arikatla, Venkata S; Han, Zhongqing; Allen, Brian F; De, Suvranu

2014-12-01

High-frequency electricity is used in the majority of surgical interventions. However, modern computer-based training and simulation systems rely on physically unrealistic models that fail to capture the interplay of the electrical, mechanical and thermal properties of biological tissue. We present a real-time and physically realistic simulation of electrosurgery by modelling the electrical, thermal and mechanical properties as three iteratively solved finite element models. To provide subfinite-element graphical rendering of vaporized tissue, a dual-mesh dynamic triangulation algorithm based on isotherms is proposed. The block compressed row storage (BCRS) structure is shown to be critical in allowing computationally efficient changes in the tissue topology due to vaporization. We have demonstrated our physics-based electrosurgery cutting algorithm through various examples. Our matrix manipulation algorithms designed for topology changes have shown low computational cost. Our simulator offers substantially greater physical fidelity compared to previous simulators that use simple geometry-based heat characterization. Copyright © 2013 John Wiley & Sons, Ltd.

Knowledge representation and qualitative simulation of salmon redd functioning. Part I: qualitative modeling and simulation.

PubMed

Guerrin, F; Dumas, J

2001-02-01

This work aims at representing empirical knowledge of freshwater ecologists on the functioning of salmon redds (spawning areas of salmon) and its impact on mortality of early stages. For this, we use Qsim, a qualitative simulator. In this first part, we provide unfamiliar readers with the underlying qualitative differential equation (QDE) ontology of Qsim: representing quantities, qualitative variables, qualitative constraints, QDE structure. Based on a very simple example taken of the salmon redd application, we show how informal biological knowledge may be represented and simulated using an approach that was first intended to analyze qualitatively ordinary differential equations systems. A companion paper (Part II) gives the full description and simulation of the salmon redd qualitative model. This work was part of a project aimed at assessing the impact of the environment on salmon populations dynamics by the use of models of processes acting at different levels: catchment, river, and redds. Only the latter level is dealt with in this paper.

On the successful use of a simplified model to simulate the succession of toxic cyanobacteria in a hypereutrophic reservoir with a highly fluctuating water level.

PubMed

Fadel, Ali; Lemaire, Bruno J; Vinçon-Leite, Brigitte; Atoui, Ali; Slim, Kamal; Tassin, Bruno

2017-09-01

Many freshwater bodies worldwide that suffer from harmful algal blooms would benefit for their management from a simple ecological model that requires few field data, e.g. for early warning systems. Beyond a certain degree, adding processes to ecological models can reduce model predictive capabilities. In this work, we assess whether a simple ecological model without nutrients is able to describe the succession of cyanobacterial blooms of different species in a hypereutrophic reservoir and help understand the factors that determine these blooms. In our study site, Karaoun Reservoir, Lebanon, cyanobacteria Aphanizomenon ovalisporum and Microcystis aeruginosa alternatively bloom. A simple configuration of the model DYRESM-CAEDYM was used; both cyanobacteria were simulated, with constant vertical migration velocity for A. ovalisporum, with vertical migration velocity dependent on light for M. aeruginosa and with growth limited by light and temperature and not by nutrients for both species. The model was calibrated on two successive years with contrasted bloom patterns and high variations in water level. It was able to reproduce the measurements; it showed a good performance for the water level (root-mean-square error (RMSE) lower than 1 m, annual variation of 25 m), water temperature profiles (RMSE of 0.22-1.41 °C, range 13-28 °C) and cyanobacteria biomass (RMSE of 1-57 μg Chl a L -1 , range 0-206 μg Chl a L -1 ). The model also helped understand the succession of blooms in both years. The model results suggest that the higher growth rate of M. aeruginosa during favourable temperature and light conditions allowed it to outgrow A. ovalisporum. Our results show that simple model configurations can be sufficient not only for theoretical works when few major processes can be identified but also for operational applications. This approach could be transposed on other hypereutrophic lakes and reservoirs to describe the competition between dominant phytoplankton species, contribute to early warning systems or be used for management scenarios.