Shock-Bubble Heating of the Intracluster Medium

NASA Astrophysics Data System (ADS)

Friedman, Samuel H.; Heinz, S.; Churazov, E.

2011-01-01

Active galactic nuclei (AGN) Feedback via extragalactic jets requires a thermalization of the energy injected into the intracluster medium (ICM) in order for energy feedback to occur. Heinz and Churazov (2005) proposed a method using shock waves and previously inflated bubbles in the ICM to extract energy from the shock waves and turn the energy into rotational kinetic energy. This energy would decay and allow heating to occur elsewhere throughout the galaxy cluster. In this paper, we extend to three dimensions (3D) the previous work using hydrodynamic simulations. We also compare our results to previous related work done performed experimentally.

Shock compression response of cold-rolled Ni/Al multilayer composites

DOE PAGES

Specht, Paul E.; Weihs, Timothy P.; Thadhani, Naresh N.

2017-01-06

Uniaxial strain, plate-on-plate impact experiments were performed on cold-rolled Ni/Al multilayer composites and the resulting Hugoniot was determined through time-resolved measurements combined with impedance matching. The experimental Hugoniot agreed with that previously predicted by two dimensional (2D) meso-scale calculations. Additional 2D meso-scale simulations were performed using the same computational method as the prior study to reproduce the experimentally measured free surface velocities and stress profiles. Finally, these simulations accurately replicated the experimental profiles, providing additional validation for the previous computational work.

The dual-basin landscape in GFP folding

PubMed Central

Andrews, Benjamin T.; Gosavi, Shachi; Finke, John M.; Onuchic, José N.; Jennings, Patricia A.

2008-01-01

Recent experimental studies suggest that the mature GFP has an unconventional landscape composed of an early folding event with a typical funneled landscape, followed by a very slow search and rearrangement step into the locked, active chromophore-containing structure. As we have shown previously, the substantial difference in time scales is what generates the observed hysteresis in thermodynamic folding. The interconversion between locked and the soft folding structures at intermediate denaturant concentrations is so slow that it is not observed under the typical experimental observation time. Simulations of a coarse-grained model were used to describe the fast folding event as well as identify native-like intermediates on energy landscapes enroute to the fluorescent native fold. Interestingly, these simulations reveal structural features of the slow dynamic transition to chromophore activation. Experimental evidence presented here shows that the trapped, native-like intermediate has structural heterogeneity in residues previously linked to chromophore formation. We propose that the final step of GFP folding is a “locking” mechanism leading to chromophore formation and high stability. The combination of previous experimental work and current simulation work is explained in the context of a dual-basin folding mechanism described above. PMID:18713871

Cognitive Modeling for Agent-Based Simulation of Child Maltreatment

NASA Astrophysics Data System (ADS)

Hu, Xiaolin; Puddy, Richard

This paper extends previous work to develop cognitive modeling for agent-based simulation of child maltreatment (CM). The developed model is inspired from parental efficacy, parenting stress, and the theory of planned behavior. It provides an explanatory, process-oriented model of CM and incorporates causality relationship and feedback loops from different factors in the social ecology in order for simulating the dynamics of CM. We describe the model and present simulation results to demonstrate the features of this model.

A Theory of Electrical Conductivity of Pseudo-Binary Equivalent Molten Salt

NASA Astrophysics Data System (ADS)

Matsunaga, Shigeki; Koishi, Takahiro; Tamaki, Shigeru

2008-02-01

Many years ago, Sundheim proposed the "universal golden rule" by experiments, i.e. the ratio of the partial ionic conductivities in molten binary salt is equal to the inverse mass ratio of each ions, σ+/σ- = m-/m-. In the previous works, we have proved this relation by the theory using Langevin equation, and by molecular dynamics simulations (MD). In this study, the pseudo binary molten salt NaCl-KCl system is investigated in the same theoretical framework as previous works as the serial work in molten salts. The MD results are also reported in connection with the theoretical analysis.

Sea level rise from the Greenland Ice Sheet during the Eemian interglacial: Review of previous work with focus on the surface mass balance

NASA Astrophysics Data System (ADS)

Plach, Andreas; Hestnes Nisancioglu, Kerim

2016-04-01

The contribution from the Greenland Ice Sheet (GIS) to the global sea level rise during the Eemian interglacial (about 125,000 year ago) was the focus of many studies in the past. A main reason for the interest in this period is the considerable warmer climate during the Eemian which is often seen as an equivalent for possible future climate conditions. Simulated sea level rise during the Eemian can therefore be used to better understand a possible future sea level rise. The most recent assessment report of the Intergovernmental Panel on Climate Change (IPCC AR5) gives an overview of several studies and discusses the possible implications for a future sea level rise. The report also reveals the big differences between these studies in terms of simulated GIS extent and corresponding sea level rise. The present study gives a more exhaustive review of previous work discussing sea level rise from the GIS during the Eemian interglacial. The smallest extents of the GIS simulated by various authors are shown and summarized. A focus is thereby given to the methods used to calculate the surface mass balance. A hypothesis of the present work is that the varying results of the previous studies can largely be explained due to the various methods used to calculate the surface mass balance. In addition, as a first step for future work, the surface mass balance of the GIS for a proxy-data derived forcing ("index method") and a direct forcing with a General Circulation Model (GCM) are shown and discussed.

Using Palm Technology in Participatory Simulations of Complex Systems: A New Take on Ubiquitous and Accessible Mobile Computing

ERIC Educational Resources Information Center

Klopfer, Eric; Yoon, Susan; Perry, Judy

2005-01-01

This paper reports on teachers' perceptions of the educational affordances of a handheld application called Participatory Simulations. It presents evidence from five cases representing each of the populations who work with these computational tools. Evidence across multiple data sources yield similar results to previous research evaluations of…

Development of interatomic potential of Ge(1- x - y )Si x Sn y ternary alloy semiconductors for classical lattice dynamics simulation

NASA Astrophysics Data System (ADS)

Tomita, Motohiro; Ogasawara, Masataka; Terada, Takuya; Watanabe, Takanobu

2018-04-01

We provide the parameters of Stillinger-Weber potentials for GeSiSn ternary mixed systems. These parameters can be used in molecular dynamics (MD) simulations to reproduce phonon properties and thermal conductivities. The phonon dispersion relation is derived from the dynamical structure factor, which is calculated by the space-time Fourier transform of atomic trajectories in an MD simulation. The phonon properties and thermal conductivities of GeSiSn ternary crystals calculated using these parameters mostly reproduced both the findings of previous experiments and earlier calculations made using MD simulations. The atomic composition dependence of these properties in GeSiSn ternary crystals obtained by previous studies (both experimental and theoretical) and the calculated data were almost exactly reproduced by our proposed parameters. Moreover, the results of the MD simulation agree with the previous calculations made using a time-independent phonon Boltzmann transport equation with complicated scattering mechanisms. These scattering mechanisms are very important in complicated nanostructures, as they allow the heat-transfer properties to be more accurately calculated by MD simulations. This work enables us to predict the phonon- and heat-related properties of bulk group IV alloys, especially ternary alloys.

Towards Multiscale Interactions Between Tearing Modes and Microturbulence

NASA Astrophysics Data System (ADS)

Williams, Z. R.; Pueschel, M. J.; Terry, P. W.

2017-10-01

Work on the Madison Symmetric Torus Reversed-Field Pinch (RFP) has shown that large-scale tearing modes present in standard operation are highly detrimental to confinement. These tearing modes, even when reduced in improved confinement regimes of operation, significantly affect zonal flow activity and play a large role in setting microturbulent-induced transport levels. Previous gyrokinetic work has shown that a small but finite tearing fluctuation amplitude is necessary to produce transport values in agreement with experimental observation. This has previously been implemented via an ad-hoc, constant-in-time A∥ perturbation. This work details self-consistent modeling of tearing fluctuations in the RFP using the Gene code via the inclusion of a current gradient drive incorporated into the background distribution function. Tearing mode growth rates calculated from gyrokinetic simulations are benchmarked with results from fluid theory. Additionally, first results from multiscale Gene simulations describing tearing mode interactions with RFP microturbulence are presented. This work is supported by the U.S. Department of Energy, Grant No. DE-FG02-85ER-53121.

Full cycle trigonometric function on Intel Quartus II Verilog

NASA Astrophysics Data System (ADS)

Mustapha, Muhazam; Zulkarnain, Nur Antasha

2018-02-01

This paper discusses about an improvement of a previous research on hardware based trigonometric calculations. Tangent function will also be implemented to get a complete set. The functions have been simulated using Quartus II where the result will be compared to the previous work. The number of bits has also been extended for each trigonometric function. The design is based on RTL due to its resource efficient nature. At earlier stage, a technology independent test bench simulation was conducted on ModelSim due to its convenience in capturing simulation data so that accuracy information can be obtained. On second stage, Intel/Altera Quartus II will be used to simulate on technology dependent platform, particularly on the one belonging to Intel/Altera itself. Real data on no. logic elements used and propagation delay have also been obtained.

Defense Waste Processing Facility Nitric- Glycolic Flowsheet Chemical Process Cell Chemistry: Part 2

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

Zamecnik, J.; Edwards, T.

The conversions of nitrite to nitrate, the destruction of glycolate, and the conversion of glycolate to formate and oxalate were modeled for the Nitric-Glycolic flowsheet using data from Chemical Process Cell (CPC) simulant runs conducted by Savannah River National Laboratory (SRNL) from 2011 to 2016. The goal of this work was to develop empirical correlation models to predict these values from measureable variables from the chemical process so that these quantities could be predicted a-priori from the sludge or simulant composition and measurable processing variables. The need for these predictions arises from the need to predict the REDuction/OXidation (REDOX) statemore » of the glass from the Defense Waste Processing Facility (DWPF) melter. This report summarizes the work on these correlations based on the aforementioned data. Previous work on these correlations was documented in a technical report covering data from 2011-2015. This current report supersedes this previous report. Further refinement of the models as additional data are collected is recommended.« less

Shock compression response of cold-rolled Ni/Al multilayer composites

NASA Astrophysics Data System (ADS)

Specht, Paul E.; Weihs, Timothy P.; Thadhani, Naresh N.

2017-01-01

Uniaxial strain, plate-on-plate impact experiments were performed on cold-rolled Ni/Al multilayer composites and the resulting Hugoniot was determined through time-resolved measurements combined with impedance matching. The experimental Hugoniot agreed with that previously predicted by two dimensional (2D) meso-scale calculations [Specht et al., J. Appl. Phys. 111, 073527 (2012)]. Additional 2D meso-scale simulations were performed using the same computational method as the prior study to reproduce the experimentally measured free surface velocities and stress profiles. These simulations accurately replicated the experimental profiles, providing additional validation for the previous computational work.

The discovery of the causes of leprosy: A computational analysis

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

Corruble, V.; Ganascia, J.G.

1996-12-31

The role played by the inductive inference has been studied extensively in the field of Scientific Discovery. The work presented here tackles the problem of induction in medical research. The discovery of the causes of leprosy is analyzed and simulated using computational means. An inductive algorithm is proposed, which is successful in simulating some essential steps in the progress of the understanding of the disease. It also allows us to simulate the false reasoning of previous centuries through the introduction of some medical a priori inherited form archaic medicine. Corroborating previous research, this problem illustrates the importance of the socialmore » and cultural environment on the way the inductive inference is performed in medicine.« less

Theoretical study of a molecular turbine.

PubMed

Perez-Carrasco, R; Sancho, J M

2013-10-01

We present an analytic and stochastic simulation study of a molecular engine working with a flux of particles as a turbine. We focus on the physical observables of velocity, flux, power, and efficiency. The control parameters are the external conservative force and the particle densities. We revise a simpler previous study by using a more realistic model containing multiple equidistant vanes complemented by stochastic simulations of the particles and the turbine. Here we show that the effect of the thermal fluctuations into the flux and the efficiency of these nanometric devices are relevant to the working scale of the system. The stochastic simulations of the Brownian motion of the particles and turbine support the simplified analytical calculations performed.

Code Validation Studies of High-Enthalpy Flows

DTIC Science & Technology

2006-12-01

stage of future hypersonic vehicles. The development and design of such vehicles is aided by the use of experimentation and numerical simulation... numerical predictions and experimental measurements. 3. Summary of Previous Work We have studied extensively hypersonic double-cone flows with and in...the experimental measurements and the numerical predictions. When we accounted for that effect in numerical simulations, and also augmented the

Use of the forest vegetation simulator to quantify disturbance activities in state and transition models

Treesearch

Reuben Weisz; Don Vandendriesche

2012-01-01

The Forest Vegetation Simulator (FVS) has been used to provide rates of natural growth transitions under endemic conditions for use in State and Transition Models (STMs). This process has previously been presented. This paper expands on that work by citing the methods used to capture resultant vegetation states following disturbance activities; be it of natural causes...

Sinking bubbles in stout beers

NASA Astrophysics Data System (ADS)

Lee, W. T.; Kaar, S.; O'Brien, S. B. G.

2018-04-01

A surprising phenomenon witnessed by many is the sinking bubbles seen in a settling pint of stout beer. Bubbles are less dense than the surrounding fluid so how does this happen? Previous work has shown that the explanation lies in a circulation of fluid promoted by the tilted sides of the glass. However, this work has relied heavily on computational fluid dynamics (CFD) simulations. Here, we show that the phenomenon of sinking bubbles can be predicted using a simple analytic model. To make the model analytically tractable, we work in the limit of small bubbles and consider a simplified geometry. The model confirms both the existence of sinking bubbles and the previously proposed mechanism.

Review of Real-Time Simulator and the Steps Involved for Implementation of a Model from MATLAB/SIMULINK to Real-Time

NASA Astrophysics Data System (ADS)

Mikkili, Suresh; Panda, Anup Kumar; Prattipati, Jayanthi

2015-06-01

Nowadays the researchers want to develop their model in real-time environment. Simulation tools have been widely used for the design and improvement of electrical systems since the mid twentieth century. The evolution of simulation tools has progressed in step with the evolution of computing technologies. In recent years, computing technologies have improved dramatically in performance and become widely available at a steadily decreasing cost. Consequently, simulation tools have also seen dramatic performance gains and steady cost decreases. Researchers and engineers now have the access to affordable, high performance simulation tools that were previously too cost prohibitive, except for the largest manufacturers. This work has introduced a specific class of digital simulator known as a real-time simulator by answering the questions "what is real-time simulation", "why is it needed" and "how it works". The latest trend in real-time simulation consists of exporting simulation models to FPGA. In this article, the Steps involved for implementation of a model from MATLAB to REAL-TIME are provided in detail.

A resilient and efficient CFD framework: Statistical learning tools for multi-fidelity and heterogeneous information fusion

NASA Astrophysics Data System (ADS)

Lee, Seungjoon; Kevrekidis, Ioannis G.; Karniadakis, George Em

2017-09-01

Exascale-level simulations require fault-resilient algorithms that are robust against repeated and expected software and/or hardware failures during computations, which may render the simulation results unsatisfactory. If each processor can share some global information about the simulation from a coarse, limited accuracy but relatively costless auxiliary simulator we can effectively fill-in the missing spatial data at the required times by a statistical learning technique - multi-level Gaussian process regression, on the fly; this has been demonstrated in previous work [1]. Based on the previous work, we also employ another (nonlinear) statistical learning technique, Diffusion Maps, that detects computational redundancy in time and hence accelerate the simulation by projective time integration, giving the overall computation a "patch dynamics" flavor. Furthermore, we are now able to perform information fusion with multi-fidelity and heterogeneous data (including stochastic data). Finally, we set the foundations of a new framework in CFD, called patch simulation, that combines information fusion techniques from, in principle, multiple fidelity and resolution simulations (and even experiments) with a new adaptive timestep refinement technique. We present two benchmark problems (the heat equation and the Navier-Stokes equations) to demonstrate the new capability that statistical learning tools can bring to traditional scientific computing algorithms. For each problem, we rely on heterogeneous and multi-fidelity data, either from a coarse simulation of the same equation or from a stochastic, particle-based, more "microscopic" simulation. We consider, as such "auxiliary" models, a Monte Carlo random walk for the heat equation and a dissipative particle dynamics (DPD) model for the Navier-Stokes equations. More broadly, in this paper we demonstrate the symbiotic and synergistic combination of statistical learning, domain decomposition, and scientific computing in exascale simulations.

Code Modernization of VPIC

NASA Astrophysics Data System (ADS)

Bird, Robert; Nystrom, David; Albright, Brian

2017-10-01

The ability of scientific simulations to effectively deliver performant computation is increasingly being challenged by successive generations of high-performance computing architectures. Code development to support efficient computation on these modern architectures is both expensive, and highly complex; if it is approached without due care, it may also not be directly transferable between subsequent hardware generations. Previous works have discussed techniques to support the process of adapting a legacy code for modern hardware generations, but despite the breakthroughs in the areas of mini-app development, portable-performance, and cache oblivious algorithms the problem still remains largely unsolved. In this work we demonstrate how a focus on platform agnostic modern code-development can be applied to Particle-in-Cell (PIC) simulations to facilitate effective scientific delivery. This work builds directly on our previous work optimizing VPIC, in which we replaced intrinsic based vectorisation with compile generated auto-vectorization to improve the performance and portability of VPIC. In this work we present the use of a specialized SIMD queue for processing some particle operations, and also preview a GPU capable OpenMP variant of VPIC. Finally we include a lessons learnt. Work performed under the auspices of the U.S. Dept. of Energy by the Los Alamos National Security, LLC Los Alamos National Laboratory under contract DE-AC52-06NA25396 and supported by the LANL LDRD program.

Direct simulations of chemically reacting turbulent mixing layers, part 2

NASA Technical Reports Server (NTRS)

Metcalfe, Ralph W.; Mcmurtry, Patrick A.; Jou, Wen-Huei; Riley, James J.; Givi, Peyman

1988-01-01

The results of direct numerical simulations of chemically reacting turbulent mixing layers are presented. This is an extension of earlier work to a more detailed study of previous three dimensional simulations of cold reacting flows plus the development, validation, and use of codes to simulate chemically reacting shear layers with heat release. Additional analysis of earlier simulations showed good agreement with self similarity theory and laboratory data. Simulations with a two dimensional code including the effects of heat release showed that the rate of chemical product formation, the thickness of the mixing layer, and the amount of mass entrained into the layer all decrease with increasing rates of heat release. Subsequent three dimensional simulations showed similar behavior, in agreement with laboratory observations. Baroclinic torques and thermal expansion in the mixing layer were found to produce changes in the flame vortex structure that act to diffuse the pairing vortices, resulting in a net reduction in vorticity. Previously unexplained anomalies observed in the mean velocity profiles of reacting jets and mixing layers were shown to result from vorticity generation by baroclinic torques.

Electron Thermalization in the Solar Wind and Planetary Plasma Boundaries

NASA Technical Reports Server (NTRS)

Krauss-Varban, Dietmar

1998-01-01

The work carried out under this contract attempts a better understanding of whistler wave generation and associated scattering of electrons in the solar wind. This task is accomplished through simulations using a particle-in-cell code and a Vlasov code. In addition, the work is supported by the utilization of a linear kinetic dispersion solver. Previously, we have concentrated on gaining a better understanding of the linear mode properties, and have tested the simulation codes within a known parameter regime. We are now in a new phase in which we implement, execute, and analyze production simulations. This phase is projected to last over several reporting periods, with this being the second cycle. In addition, we have started to research to what extent the evolution of the pertinent instabilities is two-dimensional. We are also continuing our work on the visualization aspects of the simulation results, and on a code version that runs on single-user Alpha-processor based workstations.

Comparison of Monte Carlo simulation of gamma ray attenuation coefficients of amino acids with XCOM program and experimental data

NASA Astrophysics Data System (ADS)

Elbashir, B. O.; Dong, M. G.; Sayyed, M. I.; Issa, Shams A. M.; Matori, K. A.; Zaid, M. H. M.

2018-06-01

The mass attenuation coefficients (μ/ρ), effective atomic numbers (Zeff) and electron densities (Ne) of some amino acids obtained experimentally by the other researchers have been calculated using MCNP5 simulations in the energy range 0.122-1.330 MeV. The simulated values of μ/ρ, Zeff, and Ne were compared with the previous experimental work for the amino acids samples and a good agreement was noticed. Moreover, the values of mean free path (MFP) for the samples were calculated using MCNP5 program and compared with the theoretical results obtained by XCOM. The investigation of μ/ρ, Zeff, Ne and MFP values of amino acids using MCNP5 simulations at various photon energies when compared with the XCOM values and previous experimental data for the amino acids samples revealed that MCNP5 code provides accurate photon interaction parameters for amino acids.

Dynamic model based on voltage transfer curve for pattern formation in dielectric barrier glow discharge

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

Li, Ben; He, Feng; Ouyang, Jiting, E-mail: jtouyang@bit.edu.cn

2015-12-15

Simulation work is very important for understanding the formation of self-organized discharge patterns. Previous works have witnessed different models derived from other systems for simulation of discharge pattern, but most of these models are complicated and time-consuming. In this paper, we introduce a convenient phenomenological dynamic model based on the basic dynamic process of glow discharge and the voltage transfer curve (VTC) to study the dielectric barrier glow discharge (DBGD) pattern. VTC is an important characteristic of DBGD, which plots the change of wall voltage after a discharge as a function of the initial total gap voltage. In the modeling,more » the combined effect of the discharge conditions is included in VTC, and the activation-inhibition effect is expressed by a spatial interaction term. Besides, the model reduces the dimensionality of the system by just considering the integration effect of current flow. All these greatly facilitate the construction of this model. Numerical simulations turn out to be in good accordance with our previous fluid modeling and experimental result.« less

An Example-Based Brain MRI Simulation Framework.

PubMed

He, Qing; Roy, Snehashis; Jog, Amod; Pham, Dzung L

2015-02-21

The simulation of magnetic resonance (MR) images plays an important role in the validation of image analysis algorithms such as image segmentation, due to lack of sufficient ground truth in real MR images. Previous work on MRI simulation has focused on explicitly modeling the MR image formation process. However, because of the overwhelming complexity of MR acquisition these simulations must involve simplifications and approximations that can result in visually unrealistic simulated images. In this work, we describe an example-based simulation framework, which uses an "atlas" consisting of an MR image and its anatomical models derived from the hard segmentation. The relationships between the MR image intensities and its anatomical models are learned using a patch-based regression that implicitly models the physics of the MR image formation. Given the anatomical models of a new brain, a new MR image can be simulated using the learned regression. This approach has been extended to also simulate intensity inhomogeneity artifacts based on the statistical model of training data. Results show that the example based MRI simulation method is capable of simulating different image contrasts and is robust to different choices of atlas. The simulated images resemble real MR images more than simulations produced by a physics-based model.

Modelling of thermal stresses in bearing steel structure generated by electrical current impulses

NASA Astrophysics Data System (ADS)

Birjukovs, M.; Jakovics, A.; Holweger, W.

2018-05-01

This work is the study of one particular candidate for white etching crack (WEC) initiation mechanism in wind turbine gearbox bearings: discharge current impulses flowing through bearing steel with associated thermal stresses and material fatigue. Using data/results from previously published works, the authors develop a series of models that are utilized to simulate these processes under various conditions/local microstructure configurations, as well as to verify the results of the previous numerical studies. Presented models show that the resulting stresses are several orders of magnitude below the fatigue limit/yield strength for the parameters used herein. Results and analysis of models provided by Scepanskis, M. et al. also indicate that certain effects predicted in their previous work resulted from a physically unfounded assumption about material thermodynamic properties and numerical model implementation issues.

Modelling giant radio halos. Doctoral Thesis Award Lecture 2012

NASA Astrophysics Data System (ADS)

Donnert, J. M. F.

2013-06-01

We review models for giant radio halos in clusters of galaxies, with a focus on numerical and theoretical work. After summarising the most important observations of these objects, we present an introduction to the theoretical aspects of hadronic models. We compare these models with observations using simulations and find severe problems for hadronic models. We give a short introduction to reacceleration models and show results from the first simulation of CRe reacceleration in cluster mergers. We find that in-line with previous theoretical work, reacceleration models are able to elegantly explain main observables of giant radio halos.

Testing the Use of Implicit Solvent in the Molecular Dynamics Modelling of DNA Flexibility

NASA Astrophysics Data System (ADS)

Mitchell, J.; Harris, S.

DNA flexibility controls packaging, looping and in some cases sequence specific protein binding. Molecular dynamics simulations carried out with a computationally efficient implicit solvent model are potentially a powerful tool for studying larger DNA molecules than can be currently simulated when water and counterions are represented explicitly. In this work we compare DNA flexibility at the base pair step level modelled using an implicit solvent model to that previously determined from explicit solvent simulations and database analysis. Although much of the sequence dependent behaviour is preserved in implicit solvent, the DNA is considerably more flexible when the approximate model is used. In addition we test the ability of the implicit solvent to model stress induced DNA disruptions by simulating a series of DNA minicircle topoisomers which vary in size and superhelical density. When compared with previously run explicit solvent simulations, we find that while the levels of DNA denaturation are similar using both computational methodologies, the specific structural form of the disruptions is different.

[Low Fidelity Simulation of a Zero-Y Robot

NASA Technical Reports Server (NTRS)

Sweet, Adam

2001-01-01

The item to be cleared is a low-fidelity software simulation model of a hypothetical freeflying robot designed for use in zero gravity environments. This simulation model works with the HCC simulation system that was developed by Xerox PARC and NASA Ames Research Center. HCC has been previously cleared for distribution. When used with the HCC software, the model computes the location and orientation of the simulated robot over time. Failures (such as a broken motor) can be injected into the simulation to produce simulated behavior corresponding to the failure. Release of this simulation will allow researchers to test their software diagnosis systems by attempting to diagnose the simulated failure from the simulated behavior. This model does not contain any encryption software nor can it perform any control tasks that might be export controlled.

The Origin of Systematic Errors in the GCM Simulation of ITCZ Precipitation

NASA Technical Reports Server (NTRS)

Chao, Winston C.; Suarez, M. J.; Bacmeister, J. T.; Chen, B.; Takacs, L. L.

2006-01-01

Previous GCM studies have found that the systematic errors in the GCM simulation of the seasonal mean ITCZ intensity and location could be substantially corrected by adding suitable amount of rain re-evaporation or cumulus momentum transport. However, the reason(s) for these systematic errors and solutions has remained a puzzle. In this work the knowledge gained from previous studies of the ITCZ in an aqua-planet model with zonally uniform SST is applied to solve this puzzle. The solution is supported by further aqua-planet and full model experiments using the latest version of the Goddard Earth Observing System GCM.

Generating human-like movements on an anthropomorphic robot using an interior point method

NASA Astrophysics Data System (ADS)

Costa e Silva, E.; Araújo, J. P.; Machado, D.; Costa, M. F.; Erlhagen, W.; Bicho, E.

2013-10-01

In previous work we have presented a model for generating human-like arm and hand movements on an anthropomorphic robot involved in human-robot collaboration tasks. This model was inspired by the Posture-Based Motion-Planning Model of human movements. Numerical results and simulations for reach-to-grasp movements with two different grip types have been presented previously. In this paper we extend our model in order to address the generation of more complex movement sequences which are challenged by scenarios cluttered with obstacles. The numerical results were obtained using the IPOPT solver, which was integrated in our MATLAB simulator of an anthropomorphic robot.

Comparisons of Mixed-Phase Icing Cloud Simulations with Experiments Conducted at the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Bartkus, Tadas; Tsao, Jen-Ching; Struk, Peter

2017-01-01

This paper builds on previous work that compares numerical simulations of mixed-phase icing clouds with experimental data. The model couples the thermal interaction between ice particles and water droplets of the icing cloud with the flowing air of an icing wind tunnel for simulation of NASA Glenn Research Centers (GRC) Propulsion Systems Laboratory (PSL). Measurements were taken during the Fundamentals of Ice Crystal Icing Physics Tests at the PSL tunnel in March 2016. The tests simulated ice-crystal and mixed-phase icing that relate to ice accretions within turbofan engines.

Numerical Simulation of the Effect of 3D Needle Movement on Cavitation and Spray Formation in a Diesel Injector

NASA Astrophysics Data System (ADS)

Mandumpala Devassy, B.; Edelbauer, W.; Greif, D.

2015-12-01

Cavitation and its effect on spray formation and its dispersion play a crucial role in proper engine combustion and controlled emission. This study focuses on these effects in a typical common rail 6-hole diesel injector accounting for 3D needle movement and flow compressibility effects. Coupled numerical simulations using 1D and 3D CFD codes are used for this investigation. Previous studies in this direction have already presented a detailed structure of the adopted methodology. Compared to the previous analysis, the present study investigates the effect of 3D needle movement and cavitation on the spray formation for pilot and main injection events for a typical diesel engine operating point. The present setup performs a 3D compressible multiphase simulation coupled with a standalone 1D high pressure flow simulation. The simulation proceeds by the mutual communication between 1D and 3D solvers. In this work a typical common rail injector with a mini-sac nozzle is studied. The lateral and radial movement of the needle and its effect on the cavitation generation and the subsequent spray penetration are analyzed. The result indicates the effect of compressibility of the liquid on damping the needle forces, and also the difference in the spray penetration levels due to the asymmetrical flow field. Therefore, this work intends to provide an efficient and user-friendly engineering tool for simulating a complete fuel injector including spray propagation.

The Impact of Automation Reliability and Operator Fatigue on Performance and Reliance

DTIC Science & Technology

2016-09-23

Matthews1 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER H0HJ (53290813) 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) 8... performance . Reliability Reliability of automation is a key factor in an operator’s reliance on automation. Previous work has shown that... Performance in a complex multiple-task environment during a laboratory-based simulation of occasional night work . Human Factors: The Journal of the

Application of Probability of Crack Detection to Aircraft Systems Reliability.

DOT National Transportation Integrated Search

1993-08-31

This report describes three tasks related to probability of crack detection (POD) and aircraft systems reliablity. All three consider previous work in which crack growth simulations and crack detection data in the Service Difficulty Report (SDR) data...

Investigating middle-atmospheric gravity waves associated with a sprite-producing mesoscale convective event

NASA Astrophysics Data System (ADS)

Vollmer, D. R.; McHarg, M. G.; Harley, J.; Haaland, R. K.; Stenbaek-Nielsen, H.

2016-12-01

On 23 July 2014, a mesoscale convective event over western Nebraska produced a large number of sprites. One frame per second images obtained from a low-noise Andor Scientific CMOS camera showed regularly-spaced horizontal striations in the airglow both before and during several of the sprite events, suggesting the presence of vertically-propagating gravity waves in the middle atmosphere. Previous work hypothesized that the gravity waves were produced by the thunderstorm itself. We compare our observations with previous work, and present numerical simulations conducted to determine source, structure, and propagation of atmospheric gravity waves.

Event-driven simulations of nonlinear integrate-and-fire neurons.

PubMed

Tonnelier, Arnaud; Belmabrouk, Hana; Martinez, Dominique

2007-12-01

Event-driven strategies have been used to simulate spiking neural networks exactly. Previous work is limited to linear integrate-and-fire neurons. In this note, we extend event-driven schemes to a class of nonlinear integrate-and-fire models. Results are presented for the quadratic integrate-and-fire model with instantaneous or exponential synaptic currents. Extensions to conductance-based currents and exponential integrate-and-fire neurons are discussed.

Tool for Rapid Analysis of Monte Carlo Simulations

NASA Technical Reports Server (NTRS)

Restrepo, Carolina; McCall, Kurt E.; Hurtado, John E.

2011-01-01

Designing a spacecraft, or any other complex engineering system, requires extensive simulation and analysis work. Oftentimes, the large amounts of simulation data generated are very di cult and time consuming to analyze, with the added risk of overlooking potentially critical problems in the design. The authors have developed a generic data analysis tool that can quickly sort through large data sets and point an analyst to the areas in the data set that cause specific types of failures. The Tool for Rapid Analysis of Monte Carlo simulations (TRAM) has been used in recent design and analysis work for the Orion vehicle, greatly decreasing the time it takes to evaluate performance requirements. A previous version of this tool was developed to automatically identify driving design variables in Monte Carlo data sets. This paper describes a new, parallel version, of TRAM implemented on a graphical processing unit, and presents analysis results for NASA's Orion Monte Carlo data to demonstrate its capabilities.

Geant4 simulation of ion chambers response to 60Co spectrum of LNMRI/IRD Shepherd 81-14D Radiator

NASA Astrophysics Data System (ADS)

Queiroz Filho, P. P.; Da Silva, C. N. M.

2018-03-01

The National Ionizing Radiation Metrology Laboratory of the Radioprotection and Dosimetry Institute (LNMRI / IRD) has recently acquired a Shepherd 81-14D Radiator. In this work we simulate, using Geant4, the behavior with the inverse square law radiation for 3 models of PTW spherical chambers used in radioprotection, a relevant information to planning the measurements. We did the corrections for the attenuation and scattering in the air for each distance, where we used the 60Co spectrum simulated previously.

Dry-Surface Simulation Method for the Determination of the Work of Adhesion of Solid-Liquid Interfaces.

PubMed

Leroy, Frédéric; Müller-Plathe, Florian

2015-08-04

We introduce a methodology, referred to as the dry-surface method, to calculate the work of adhesion of heterogeneous solid-liquid interfaces by molecular simulation. This method employs a straightforward thermodynamic integration approach to calculate the work of adhesion as the reversible work to turn off the attractive part of the actual solid-liquid interaction potential. It is formulated in such a way that it may be used either to evaluate the ability of force fields to reproduce reference values of the work of adhesion or to optimize force-field parameters with reference values of the work of adhesion as target quantities. The methodology is tested in the case of water on a generic model of nonpolar substrates with the structure of gold. It is validated through a quantitative comparison to phantom-wall calculations and against a previous characterization of the thermodynamics of the gold-water interface. It is found that the work of adhesion of water on nonpolar substrates is a nonlinear function of the microscopic solid-liquid interaction energy parameter. We also comment on the ability of mean-field approaches to predict the work of adhesion of water on nonpolar substrates. In addition, we discuss in detail the information on the solid-liquid interfacial thermodynamics delivered by the phantom-wall approach. We show that phantom-wall calculations yield the solid-liquid interfacial tension relative to the solid surface tension rather than the absolute solid-liquid interfacial tension as previously believed.

Simulation of homogeneous condensation of small polyatomic systems in high pressure supersonic nozzle flows using Bhatnagar-Gross-Krook model

NASA Astrophysics Data System (ADS)

Kumar, Rakesh; Levin, Deborah A.

2011-03-01

In the present work, we have simulated the homogeneous condensation of carbon dioxide and ethanol using the Bhatnagar-Gross-Krook based approach. In an earlier work of Gallagher-Rogers et al. [J. Thermophys. Heat Transfer 22, 695 (2008)], it was found that it was not possible to simulate condensation experiments of Wegener et al. [Phys. Fluids 15, 1869 (1972)] using the direct simulation Monte Carlo method. Therefore, in this work, we have used the statistical Bhatnagar-Gross-Krook approach, which was found to be numerically more efficient than direct simulation Monte Carlo method in our previous studies [Kumar et al., AIAA J. 48, 1531 (2010)], to model homogeneous condensation of two small polyatomic systems, carbon dioxide and ethanol. A new weighting scheme is developed in the Bhatnagar-Gross-Krook framework to reduce the computational load associated with the study of homogeneous condensation flows. The solutions obtained by the use of the new scheme are compared with those obtained by the baseline Bhatnagar-Gross-Krook condensation model (without the species weighting scheme) for the condensing flow of carbon dioxide in the stagnation pressure range of 1-5 bars. Use of the new weighting scheme in the present work makes the simulation of homogeneous condensation of ethanol possible. We obtain good agreement between our simulated predictions for homogeneous condensation of ethanol and experiments in terms of the point of condensation onset and the distribution of mass fraction of ethanol condensed along the nozzle centerline.

Climate Modeling and Causal Identification for Sea Ice Predictability

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

Hunke, Elizabeth Clare; Urrego Blanco, Jorge Rolando; Urban, Nathan Mark

This project aims to better understand causes of ongoing changes in the Arctic climate system, particularly as decreasing sea ice trends have been observed in recent decades and are expected to continue in the future. As part of the Sea Ice Prediction Network, a multi-agency effort to improve sea ice prediction products on seasonal-to-interannual time scales, our team is studying sensitivity of sea ice to a collection of physical process and feedback mechanism in the coupled climate system. During 2017 we completed a set of climate model simulations using the fully coupled ACME-HiLAT model. The simulations consisted of experiments inmore » which cloud, sea ice, and air-ocean turbulent exchange parameters previously identified as important for driving output uncertainty in climate models were perturbed to account for parameter uncertainty in simulated climate variables. We conducted a sensitivity study to these parameters, which built upon a previous study we made for standalone simulations (Urrego-Blanco et al., 2016, 2017). Using the results from the ensemble of coupled simulations, we are examining robust relationships between climate variables that emerge across the experiments. We are also using causal discovery techniques to identify interaction pathways among climate variables which can help identify physical mechanisms and provide guidance in predictability studies. This work further builds on and leverages the large ensemble of standalone sea ice simulations produced in our previous w14_seaice project.« less

Electrically induced spontaneous emission in open electronic system

NASA Astrophysics Data System (ADS)

Wang, Rulin; Zhang, Yu; Yam, Chiyung; Computation Algorithms Division (CSRC) Team; Theoretical; Computational Chemistry (HKU) Collaboration

A quantum mechanical approach is formulated for simulation of electroluminescence process in open electronic system. Based on nonequilibrium Green's function quantum transport equations and combining with photon-electron interaction, this method is used to describe electrically induced spontaneous emission caused by electron-hole recombination. The accuracy and reliability of simulation depends critically on correct description of the electronic band structure and the electron occupancy in the system. In this work, instead of considering electron-hole recombination in discrete states in the previous work, we take continuous states into account to simulate the spontaneous emission in open electronic system, and discover that the polarization of emitted photon is closely related to its propagation direction. Numerical studies have been performed to silicon nanowire-based P-N junction with different bias voltage.

Application of RANS Simulations for Contact Time Predictions in Turbulent Reactor Tanks for Water Purification Process

NASA Astrophysics Data System (ADS)

Nickles, Cassandra; Goodman, Matthew; Saez, Jose; Issakhanian, Emin

2016-11-01

California's current drought has renewed public interest in recycled water from Water Reclamation Plants (WRPs). It is critical that the recycled water meets public health standards. This project consists of simulating the transport of an instantaneous conservative tracer through the WRP chlorine contact tanks. Local recycled water regulations stipulate a minimum 90-minute modal contact time during disinfection at peak dry weather design flow. In-situ testing is extremely difficult given flowrate dependence on real world sewage line supply and recycled water demand. Given as-built drawings and operation parameters, the chlorine contact tanks are modeled to simulate extreme situations, which may not meet regulatory standards. The turbulent flow solutions are used as the basis to model the transport of a turbulently diffusing conservative tracer added instantaneously to the inlet of the reactors. This tracer simulates the transport through advection and dispersion of chlorine in the WRPs. Previous work validated the models against experimental data. The current work shows the predictive value of the simulations.

Connections between residence time distributions and watershed characteristics across the continental US

NASA Astrophysics Data System (ADS)

Condon, L. E.; Maxwell, R. M.; Kollet, S. J.; Maher, K.; Haggerty, R.; Forrester, M. M.

2016-12-01

Although previous studies have demonstrated fractal residence time distributions in small watersheds, analyzing residence time scaling over large spatial areas is difficult with existing observational methods. For this study we use a fully integrated groundwater surface water simulation combined with Lagrangian particle tracking to evaluate connections between residence time distributions and watershed characteristics such as geology, topography and climate. Our simulation spans more than six million square kilometers of the continental US, encompassing a broad range of watershed sizes and physiographic settings. Simulated results demonstrate power law residence time distributions with peak age rages from 1.5 to 10.5 years. These ranges agree well with previous observational work and demonstrate the feasibility of using integrated models to simulate residence times. Comparing behavior between eight major watersheds, we show spatial variability in both the peak and the variance of the residence time distributions that can be related to model inputs. Peak age is well correlated with basin averaged hydraulic conductivity and the semi-variance corresponds to aridity. While power law age distributions have previously been attributed to fractal topography, these results illustrate the importance of subsurface characteristics and macro climate as additional controls on groundwater configuration and residence times.

Theory and simulation of backbombardment in single-cell thermionic-cathode electron guns

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

Edelen, J.  P.; Biedron, S.  G.; Harris, J.  R.

This paper presents a comparison between simulation results and a first principles analytical model of electron back-bombardment developed at Colorado State University for single-cell, thermionic-cathode rf guns. While most previous work on back-bombardment has been specific to particular accelerator systems, this work is generalized to a wide variety of guns within the applicable parameter space. The merits and limits of the analytic model will be discussed. This paper identifies the three fundamental parameters that drive the back-bombardment process, and demonstrates relative accuracy in calculating the predicted back-bombardment power of a single-cell thermionic gun.

Theory and simulation of backbombardment in single-cell thermionic-cathode electron guns

DOE PAGES

Edelen, J.  P.; Biedron, S.  G.; Harris, J.  R.; ...

2015-04-01

This paper presents a comparison between simulation results and a first principles analytical model of electron back-bombardment developed at Colorado State University for single-cell, thermionic-cathode rf guns. While most previous work on back-bombardment has been specific to particular accelerator systems, this work is generalized to a wide variety of guns within the applicable parameter space. The merits and limits of the analytic model will be discussed. This paper identifies the three fundamental parameters that drive the back-bombardment process, and demonstrates relative accuracy in calculating the predicted back-bombardment power of a single-cell thermionic gun.

An investigation of the effects of reading and writing text-based messages while driving.

DOT National Transportation Integrated Search

2012-08-01

Previous research, using driving simulation, crash data, and naturalistic methods, has begun to shed light on the dangers of texting while driving. Perhaps because of the dangers, no published work has experimentally investigated the dangers of texti...

Numerical Simulation of the Diffusion Processes in Nanoelectrode Arrays Using an Axial Neighbor Symmetry Approximation.

PubMed

Peinetti, Ana Sol; Gilardoni, Rodrigo S; Mizrahi, Martín; Requejo, Felix G; González, Graciela A; Battaglini, Fernando

2016-06-07

Nanoelectrode arrays have introduced a complete new battery of devices with fascinating electrocatalytic, sensitivity, and selectivity properties. To understand and predict the electrochemical response of these arrays, a theoretical framework is needed. Cyclic voltammetry is a well-fitted experimental technique to understand the undergoing diffusion and kinetics processes. Previous works describing microelectrode arrays have exploited the interelectrode distance to simulate its behavior as the summation of individual electrodes. This approach becomes limited when the size of the electrodes decreases to the nanometer scale due to their strong radial effect with the consequent overlapping of the diffusional fields. In this work, we present a computational model able to simulate the electrochemical behavior of arrays working either as the summation of individual electrodes or being affected by the overlapping of the diffusional fields without previous considerations. Our computational model relays in dividing a regular electrode array in cells. In each of them, there is a central electrode surrounded by neighbor electrodes; these neighbor electrodes are transformed in a ring maintaining the same active electrode area than the summation of the closest neighbor electrodes. Using this axial neighbor symmetry approximation, the problem acquires a cylindrical symmetry, being applicable to any diffusion pattern. The model is validated against micro- and nanoelectrode arrays showing its ability to predict their behavior and therefore to be used as a designing tool.

Current Driven Instabilities and Anomalous Mobility in Hall-effect Thrusters

NASA Astrophysics Data System (ADS)

Tran, Jonathan; Eckhardt, Daniel; Martin, Robert

2017-10-01

Due to the extreme cost of fully resolving the Debye length and plasma frequency, hybrid plasma simulations utilizing kinetic ions and quasi-steady state fluid electrons have long been the principle workhorse methodology for Hall-effect thruster (HET) modeling. Plasma turbulence and the resulting anomalous electron transport in HETs is a promising candidate for developing predictive models for the observed anomalous transport. In this work, we investigate the implementation of an anomalous electron cross field transport model for hybrid HET simulations such a HPHall. A theory for anomalous transport in HETs and current driven instabilities has been recently studied by Lafleur et al. This work has shown collective electron-wave scattering due to large amplitude azimuthal fluctuations of the electric field. We will further adapt the previous results for related current driven instabilities to electric propulsion relevant mass ratios and conduct a preliminary study of resolving this instability with a modified hybrid (fluid electron and kinetic ion) simulation with the hope of integration with established hybrid HET simulations. This work is supported by the Air Force Office of Scientific Research award FA9950-17RQCOR465.

Effects of long and short simulated flights on the saccadic eye movement velocity of aviators.

PubMed

Di Stasi, Leandro L; McCamy, Michael B; Martinez-Conde, Susana; Gayles, Ellis; Hoare, Chad; Foster, Michael; Catena, Andrés; Macknik, Stephen L

2016-01-01

Aircrew fatigue is a major contributor to operational errors in civil and military aviation. Objective detection of pilot fatigue is thus critical to prevent aviation catastrophes. Previous work has linked fatigue to changes in oculomotor dynamics, but few studies have studied this relationship in critical safety environments. Here we measured the eye movements of US Marine Corps combat helicopter pilots before and after simulated flight missions of different durations.We found a decrease in saccadic velocities after long simulated flights compared to short simulated flights. These results suggest that saccadic velocity could serve as a biomarker of aviator fatigue.

Restoration of fMRI Decodability Does Not Imply Latent Working Memory States

PubMed Central

Schneegans, Sebastian; Bays, Paul M.

2018-01-01

Recent imaging studies have challenged the prevailing view that working memory is mediated by sustained neural activity. Using machine learning methods to reconstruct memory content, these studies found that previously diminished representations can be restored by retrospective cueing or other forms of stimulation. These findings have been interpreted as evidence for an activity-silent working memory state that can be reactivated dependent on task demands. Here, we test the validity of this conclusion by formulating a neural process model of working memory based on sustained activity and using this model to emulate a spatial recall task with retrocueing. The simulation reproduces both behavioral and fMRI results previously taken as evidence for latent states, in particular the restoration of spatial reconstruction quality following an informative cue. Our results demonstrate that recovery of the decodability of an imaging signal does not provide compelling evidence for an activity-silent working memory state. PMID:28820674

On the hydration of subnanometric antifouling organosilane adlayers: a molecular dynamics simulation.

PubMed

Sheikh, Sonia; Blaszykowski, Christophe; Nolan, Robert; Thompson, Damien; Thompson, Michael

2015-01-01

The connection between antifouling and surface hydration is a fascinating but daunting question to answer. Herein, we use molecular dynamics (MD) computer simulations to gain further insight into the role of surface functionalities in the molecular-level structuration of water (surface kosmotropicity)--within and atop subnanometric organosilane adlayers that were shown in previous experimental work to display varied antifouling behavior. Our simulations support the hypothesized intimate link between surface hydration and antifouling, in particular the importance of both internal and interfacial hydrophilicity and kosmotropicity. The antifouling mechanism is also discussed in terms of surface dehydration energy and water dynamicity (lability and mobility), notably the crucial requirement for clustered water molecules to remain tightly bound for extensive periods of time--i.e. exhibit slow exchange dynamics. A substrate effect on surface hydration, which would also participate in endowing antifouling adlayers with hydrogel-like characteristics, is also proposed. In contrast, the role of adlayer flexibility, if any, is assigned a secondary role in these ultrathin structures made of short building blocks. The conclusions from this work are well in line with those previously drawn in the literature. Copyright © 2014 Elsevier Inc. All rights reserved.

A New Model for Simulating Gas Metal Arc Welding based on Phase Field Model

NASA Astrophysics Data System (ADS)

Jiang, Yongyue; Li, Li; Zhao, Zhijiang

2017-11-01

Lots of physical process, such as metal melting, multiphase fluids flow, heat and mass transfer and thermocapillary effect (Marangoni) and so on, will occur in gas metal arc welding (GMAW) which should be considered as a mixture system. In this paper, based on the previous work, we propose a new model to simulate GMAW including Navier-Stokes equation, the phase field model and energy equation. Unlike most previous work, we take the thermocapillary effect into the phase field model considering mixture energy which is different of volume of fluid method (VOF) widely used in GMAW before. We also consider gravity, electromagnetic force, surface tension, buoyancy effect and arc pressure in momentum equation. The spray transfer especially the projected transfer in GMAW is computed as numerical examples with a continuous finite element method and a modified midpoint scheme. Pulse current is set as welding current as the numerical example to show the numerical simulation of metal transfer which fits the theory of GMAW well. From the result compared with the data of high-speed photography and VOF model, the accuracy and stability of the model and scheme are easily validated and also the new model has the higher precieion.

Synapse-Centric Mapping of Cortical Models to the SpiNNaker Neuromorphic Architecture

PubMed Central

Knight, James C.; Furber, Steve B.

2016-01-01

While the adult human brain has approximately 8.8 × 1010 neurons, this number is dwarfed by its 1 × 1015 synapses. From the point of view of neuromorphic engineering and neural simulation in general this makes the simulation of these synapses a particularly complex problem. SpiNNaker is a digital, neuromorphic architecture designed for simulating large-scale spiking neural networks at speeds close to biological real-time. Current solutions for simulating spiking neural networks on SpiNNaker are heavily inspired by work on distributed high-performance computing. However, while SpiNNaker shares many characteristics with such distributed systems, its component nodes have much more limited resources and, as the system lacks global synchronization, the computation performed on each node must complete within a fixed time step. We first analyze the performance of the current SpiNNaker neural simulation software and identify several problems that occur when it is used to simulate networks of the type often used to model the cortex which contain large numbers of sparsely connected synapses. We then present a new, more flexible approach for mapping the simulation of such networks to SpiNNaker which solves many of these problems. Finally we analyze the performance of our new approach using both benchmarks, designed to represent cortical connectivity, and larger, functional cortical models. In a benchmark network where neurons receive input from 8000 STDP synapses, our new approach allows 4× more neurons to be simulated on each SpiNNaker core than has been previously possible. We also demonstrate that the largest plastic neural network previously simulated on neuromorphic hardware can be run in real time using our new approach: double the speed that was previously achieved. Additionally this network contains two types of plastic synapse which previously had to be trained separately but, using our new approach, can be trained simultaneously. PMID:27683540

Comparing simulation of plasma turbulence with experiment. II. Gyrokinetic simulations

NASA Astrophysics Data System (ADS)

Ross, David W.; Dorland, William

2002-12-01

The direct quantitative correspondence between theoretical predictions and the measured plasma fluctuations and transport is tested by performing nonlinear gyrokinetic simulations with the GS2 code. This is a continuation of previous work with gyrofluid simulations [D. W. Ross et al., Phys. Plasmas 9, 177 (2002)], and the same L-mode reference discharge in the DIII-D tokamak [J. L. Luxon and L. G. Davis, Fusion Technol. 8, 441 (1985)] is studied. The simulated turbulence is dominated by ion temperature gradient (ITG) modes, corrected by trapped-electron, passing-electron and impurity effects. The energy fluxes obtained in the gyrokinetic simulations are comparable to, even somewhat higher than, those of the earlier work, and the simulated ion thermal transport, corrected for E×B flow shear, exceeds the experimental value by more than a factor of 2. The simulation also overestimates the density fluctuation level. Varying the local temperature gradient shows a stiff response in the flux and an apparent up-shift from the linear mode threshold [A. M. Dimits et al., Phys. Plasmas 7, 969 (2000)]. This effect is insufficient, within the estimated error, to bring the results into conformity with the experiment.

The Eccentric Satellites Problem: Comparing Milky Way Satellite Orbital Properties to Simulation Results

NASA Astrophysics Data System (ADS)

Haji, Umran; Pryor, Carlton; Applebaum, Elaad; Brooks, Alyson

2018-01-01

We compare the orbital properties of the satellite galaxies of the Milky Way to those of satellites found in simulated Milky Way-like systems as a means of testing cosmological simulations of galaxy formation. The particular problem that we are investigating is a discrepancy in the distribution of orbital eccentricities. Previous studies of Milky Way-mass systems analyzed in a semi-analytic ΛCDM cosmological model have found that the satellites tend to have significantly larger fractions of their kinetic energy invested in radial motion with respect to their central galaxy than do the real-world Milky Way satellites. We analyze several high-resolution ("zoom-in") hydrodynamical simulations of Milky Way-mass galaxies and their associated satellite systems to investigate why previous works found Milky Way-like systems to be rare. We find a possible relationship between a quiescent galactic assembly history and a distribution of satellite kinematics resembling that of the Milky Way. This project has been supported by funding from National Science Foundation grant PHY-1560077.

Plasma density injection and flow during coaxial helicity injection in a tokamak

NASA Astrophysics Data System (ADS)

Hooper, E. B.

2018-02-01

Whole device, resistive MHD simulations of spheromaks and tokamaks have used a large diffusion coefficient that maintains a nearly constant density throughout the device. In the present work, helicity and plasma are coinjected into a low-density plasma in a tokamak with a small diffusion coefficient. As in previous simulations [Hooper et al., Phys. Plasmas 20, 092510 (2013)], a flux bubble is formed, which expands to fill the tokamak volume. The injected plasma is non-uniform inside the bubble. The flow pattern is analyzed; when the simulation is not axisymmetric, an n = 1 mode on the surface of the bubble generates leakage of plasma into the low-density volume. Closed flux is generated following injection, as in experiments and previous simulations. The result provides a more detailed physics analysis of the injection, including density non-uniformities in the plasma that may affect its use as a startup plasma [Raman et al., Phys. Rev. Lett. 97, 175002 (2006)].

Evaluating MEDEVAC Force Structure Requirements Using an Updated Army Scenario, Total Army Analysis Admission Data, Monte Carlo Simulation, and Theater Structure.

PubMed

Fulton, Lawrence; Kerr, Bernie; Inglis, James M; Brooks, Matthew; Bastian, Nathaniel D

2015-07-01

In this study, we re-evaluate air ambulance requirements (rules of allocation) and planning considerations based on an Army-approved, Theater Army Analysis scenario. A previous study using workload only estimated a requirement of 0.4 to 0.6 aircraft per admission, a significant bolus over existence-based rules. In this updated study, we estimate requirements for Phase III (major combat operations) using a simulation grounded in previously published work and Phase IV (stability operations) based on four rules of allocation: unit existence rules, workload factors, theater structure (geography), and manual input. This study improves upon previous work by including the new air ambulance mission requirements of Department of Defense 51001.1, Roles and Functions of the Services, by expanding the analysis over two phases, and by considering unit rotation requirements known as Army Force Generation based on Department of Defense policy. The recommendations of this study are intended to inform future planning factors and already provided decision support to the Army Aviation Branch in determining force structure requirements. Reprint & Copyright © 2015 Association of Military Surgeons of the U.S.

Modeling Reconnection-Driven Solar Polar Jets with Gravity and Wind

NASA Astrophysics Data System (ADS)

Karpen, Judith T.; DeVore, C. R.; Antiochos, S. K.

2013-07-01

Solar polar jets are dynamic, narrow, radially extended structures observed in EUV emission. They have been found to originate within the open magnetic field of coronal holes in “anemone” regions, which are generally accepted to be intrusions of opposite polarity. The associated embedded-dipole topology consists of a spine line emanating from a null point atop a dome-shaped fan surface. Previous work (Pariat et al. 2009, 2010) has validated the idea that magnetic free energy stored on twisted closed field lines within the fan surface can be released explosively by the onset of fast reconnection between the highly stressed closed field inside the null and the unstressed open field outside (Antiochos 1996). The simulations showed that a dense jet comprising a nonlinear, torsional Alfven wave is ejected into the outer corona on the newly reconnected open field lines. While proving the principle of the basic model, those simulations neglected the important effects of gravity, the solar wind, and an expanding spherical geometry. We introduce those additional physical processes in new simulations of reconnection-driven jets, to determine whether the model remains robust in the resulting more realistic setting, and to begin establishing the signatures of the jets in the inner heliosphere for comparison with observations. Initial results demonstrate explosive energy release and a jet in the low corona very much like that in the earlier Cartesian, gravity-free, static-atmosphere runs. We report our analysis of the results, their comparison with previous work, and their implications for observations. This work was supported by NASA’s LWS TR&T program.Abstract (2,250 Maximum Characters): Solar polar jets are dynamic, narrow, radially extended structures observed in EUV emission. They have been found to originate within the open magnetic field of coronal holes in “anemone” regions, which are generally accepted to be intrusions of opposite polarity. The associated embedded-dipole topology consists of a spine line emanating from a null point atop a dome-shaped fan surface. Previous work (Pariat et al. 2009, 2010) has validated the idea that magnetic free energy stored on twisted closed field lines within the fan surface can be released explosively by the onset of fast reconnection between the highly stressed closed field inside the null and the unstressed open field outside (Antiochos 1996). The simulations showed that a dense jet comprising a nonlinear, torsional Alfven wave is ejected into the outer corona on the newly reconnected open field lines. While proving the principle of the basic model, those simulations neglected the important effects of gravity, the solar wind, and an expanding spherical geometry. We introduce those additional physical processes in new simulations of reconnection-driven jets, to determine whether the model remains robust in the resulting more realistic setting, and to begin establishing the signatures of the jets in the inner heliosphere for comparison with observations. Initial results demonstrate explosive energy release and a jet in the low corona very much like that in the earlier Cartesian, gravity-free, static-atmosphere runs. We report our analysis of the results, their comparison with previous work, and their implications for observations. This work was supported by NASA’s LWS TR&T program.

Surgical simulation tasks challenge visual working memory and visual-spatial ability differently.

PubMed

Schlickum, Marcus; Hedman, Leif; Enochsson, Lars; Henningsohn, Lars; Kjellin, Ann; Felländer-Tsai, Li

2011-04-01

New strategies for selection and training of physicians are emerging. Previous studies have demonstrated a correlation between visual-spatial ability and visual working memory with surgical simulator performance. The aim of this study was to perform a detailed analysis on how these abilities are associated with metrics in simulator performance with different task content. The hypothesis is that the importance of visual-spatial ability and visual working memory varies with different task contents. Twenty-five medical students participated in the study that involved testing visual-spatial ability using the MRT-A test and visual working memory using the RoboMemo computer program. Subjects were also trained and tested for performance in three different surgical simulators. The scores from the psychometric tests and the performance metrics were then correlated using multivariate analysis. MRT-A score correlated significantly with the performance metrics Efficiency of screening (p = 0.006) and Total time (p = 0.01) in the GI Mentor II task and Total score (p = 0.02) in the MIST-VR simulator task. In the Uro Mentor task, both the MRT-A score and the visual working memory 3-D cube test score as presented in the RoboMemo program (p = 0.02) correlated with Total score (p = 0.004). In this study we have shown that some differences exist regarding the impact of visual abilities and task content on simulator performance. When designing future cognitive training programs and testing regimes, one might have to consider that the design must be adjusted in accordance with the specific surgical task to be trained in mind.

Electrical Field Guided Electrospray Deposition for Production of Gradient Particle Patterns.

PubMed

Yan, Wei-Cheng; Xie, Jingwei; Wang, Chi-Hwa

2018-06-06

Our previous work demonstrated the uniform particle pattern formation on the substrates using electrical field guided electrospray deposition. In this work, we reported for the first time the fabrication of gradient particle patterns on glass slides using an additional point, line, or bar electrode based on our previous electrospray deposition configuration. We also demonstrated that the polydimethylsiloxane (PDMS) coating could result in the formation of uniform particle patterns instead of gradient particle patterns on glass slides using the same experimental setup. Meanwhile, we investigated the effect of experimental configurations on the gradient particle pattern formation by computational simulation. The simulation results are in line with experimental observations. The formation of gradient particle patterns was ascribed to the gradient of electric field and the corresponding focusing effect. Cell patterns can be formed on the particle patterns deposited on PDMS-coated glass slides. The formed particle patterns hold great promise for high-throughput screening of biomaterial-cell interactions and sensing.

Physiology driven adaptivity for the numerical solution of the bidomain equations.

PubMed

Whiteley, Jonathan P

2007-09-01

Previous work [Whiteley, J. P. IEEE Trans. Biomed. Eng. 53:2139-2147, 2006] derived a stable, semi-implicit numerical scheme for solving the bidomain equations. This scheme allows the timestep used when solving the bidomain equations numerically to be chosen by accuracy considerations rather than stability considerations. In this study we modify this scheme to allow an adaptive numerical solution in both time and space. The spatial mesh size is determined by the gradient of the transmembrane and extracellular potentials while the timestep is determined by the values of: (i) the fast sodium current; and (ii) the calcium release from junctional sarcoplasmic reticulum to myoplasm current. For two-dimensional simulations presented here, combining the numerical algorithm in the paper cited above with the adaptive algorithm presented here leads to an increase in computational efficiency by a factor of around 250 over previous work, together with significantly less computational memory being required. The speedup for three-dimensional simulations is likely to be more impressive.

Medium Fidelity Simulation of Oxygen Tank Venting

NASA Technical Reports Server (NTRS)

Sweet, Adam; Kurien, James; Lau, Sonie (Technical Monitor)

2001-01-01

The item to he cleared is a medium-fidelity software simulation model of a vented cryogenic tank. Such tanks are commonly used to transport cryogenic liquids such as liquid oxygen via truck, and have appeared on liquid-fueled rockets for decades. This simulation model works with the HCC simulation system that was developed by Xerox PARC and NASA Ames Research Center. HCC has been previously cleared for distribution. When used with the HCC software, the model generates simulated readings for the tank pressure and temperature as the simulated cryogenic liquid boils off and is vented. Failures (such as a broken vent valve) can be injected into the simulation to produce readings corresponding to the failure. Release of this simulation will allow researchers to test their software diagnosis systems by attempting to diagnose the simulated failure from the simulated readings. This model does not contain any encryption software nor can it perform any control tasks that might be export controlled.

Simulation-based instruction of technical skills

NASA Technical Reports Server (NTRS)

Towne, Douglas M.; Munro, Allen

1991-01-01

A rapid intelligent tutoring development system (RAPIDS) was developed to facilitate the production of interactive, real-time graphical device models for use in instructing the operation and maintenance of complex systems. The tools allowed subject matter experts to produce device models by creating instances of previously defined objects and positioning them in the emerging device model. These simulation authoring functions, as well as those associated with demonstrating procedures and functional effects on the completed model, required no previous programming experience or use of frame-based instructional languages. Three large simulations were developed in RAPIDS, each involving more than a dozen screen-sized sections. Seven small, single-view applications were developed to explore the range of applicability. Three workshops were conducted to train others in the use of the authoring tools. Participants learned to employ the authoring tools in three to four days and were able to produce small working device models on the fifth day.

Evolution of mechanical response of sodium montmorillonite interlayer with increasing hydration by molecular dynamics.

PubMed

Schmidt, Steven R; Katti, Dinesh R; Ghosh, Pijush; Katti, Kalpana S

2005-08-16

The mechanical response of the interlayer of hydrated montmorillonite was evaluated using steered molecular dynamics. An atomic model of the sodium montmorillonite was previously constructed. In the current study, the interlayer of the model was hydrated with multiple layers of water. Using steered molecular dynamics, external forces were applied to individual atoms of the clay surface, and the response of the model was studied. The displacement versus applied stress and stress versus strain relationships of various parts of the interlayer were studied. The paper describes the construction of the model, the simulation procedure, and results of the simulations. Some results of the previous work are further interpreted in the light of the current research. The simulations provide quantitative stress deformation relationships as well as an insight into the molecular interactions taking place between the clay surface and interlayer water and cations.

FINAL REPORT INTEGRATED DM1200 MELTER TESTING USING AZ 102 AND C 106/AY-102 HLW SIMULANTS: HLW SIMULANT VERIFICATION VSL-05R5800-1 REV 0 6/27/05

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

KRUGER AA; MATLACK KS; GONG W

2011-12-29

The principal objectives of the DM1200 melter tests were to determine the effects of feed rheology, feed solid content, and bubbler configuration on glass production rate and off-gas system performance while processing the HLW AZ-101 and C-106/AY-102 feed compositions; characterize melter off-gas emissions; characterize the performance of the prototypical off-gas system components, as well as their integrated performance; characterize the feed, glass product, and off-gas effluents; and perform pre- and post test inspections of system components. The specific objectives (including test success criteria) of this testing, along with how each objective was met, are outlined in a table. The datamore » provided in this Final Report address the impacts of HLW melter feed rheology on melter throughput and validation of the simulated HLW melter feeds. The primary purpose of this testing is to further validate/verify the HLW melter simulants that have been used for previous melter testing and to support their continued use in developing melter and off-gas related processing information for the Project. The primary simulant property in question is rheology. Simulants and melter feeds used in all previous melter tests were produced by direct addition of chemicals; these feed tend to be less viscous than rheological the upper-bound feeds made from actual wastes. Data provided here compare melter processing for the melter feed used in all previous DM100 and DM1200 tests (nominal melter feed) with feed adjusted by the feed vendor (NOAH Technologies) to be more viscous, thereby simulating more closely the upperbounding feed produced from actual waste. This report provides results of tests that are described in the Test Plan for this work. The Test Plan is responsive to one of several test objectives covered in the WTP Test Specification for this work; consequently, only part of the scope described in the Test Specification was addressed in this particular Test Plan. For the purpose of comparison, the tests reported here were performed with AZ-102 and C-106/AY-102 HLW simulants and glass compositions that are essentially the same as those used for recent DM1200 tests. One exception was the use of an alternate, higher-waste-loading C-106/AY-102 glass composition that was used in previous DM100 tests to further evaluate the performance of the optimized bubbler configuration.« less

Improving operational plume forecasts

NASA Astrophysics Data System (ADS)

Balcerak, Ernie

2012-04-01

Forecasting how plumes of particles, such as radioactive particles from a nuclear disaster, will be transported and dispersed in the atmosphere is an important but computationally challenging task. During the Fukushima nuclear disaster in Japan, operational plume forecasts were produced each day, but as the emissions continued, previous emissions were not included in the simulations used for forecasts because it became impractical to rerun the simulations each day from the beginning of the accident. Draxler and Rolph examine whether it is possible to improve plume simulation speed and flexibility as conditions and input data change. The authors use a method known as a transfer coefficient matrix approach that allows them to simulate many radionuclides using only a few generic species for the computation. Their simulations work faster by dividing the computation into separate independent segments in such a way that the most computationally time consuming pieces of the calculation need to be done only once. This makes it possible to provide real-time operational plume forecasts by continuously updating the previous simulations as new data become available. They tested their method using data from the Fukushima incident to show that it performed well. (Journal of Geophysical Research-Atmospheres, doi:10.1029/2011JD017205, 2012)

Monte Carlo simulation of the influence of pressure and target-substrate distance on the sputtering process for metal and semiconductor layers

NASA Astrophysics Data System (ADS)

Bouazza, Abdelkader; Settaouti, Abderrahmane

2016-07-01

The energy and the number of particles arriving at the substrate during physical vapor deposition (PVD) are in close relation with divers parameters. In this work, we present the influence of the distance between the target and substrate and the gas pressure in the sputtering process of deposited layers of metals (Cu, Al and Ag) and semiconductors (Ge, Te and Si) for substrate diameter of 40 cm and target diameter of 5 cm. The nascent sputter flux, the flux of the atoms and their energy arriving at the substrate have been simulated by Monte Carlo codes. A good agreement between previous works of other groups and our simulations for sputter pressures (0.3-1 Pa) and target-substrate distances (8-20 cm) is obtained.

Analogical Transfer from a Simulated Physical System

ERIC Educational Resources Information Center

Day, Samuel B.; Goldstone, Robert L.

2011-01-01

Previous research has consistently found that spontaneous analogical transfer is strongly tied to concrete and contextual similarities between the cases. However, that work has largely failed to acknowledge that the relevant factor in transfer is the similarity between individuals' mental representations of the situations rather than the overt…

Unconventional Constraints on Nitrogen Chemistry using DC3 Observations and Trajectory-based Chemical Modeling

NASA Astrophysics Data System (ADS)

Shu, Q.; Henderson, B. H.

2017-12-01

Chemical transport models underestimate nitrogen dioxide observations in the upper troposphere (UT). Previous research in the UT succeeded in combining model predictions with field campaign measurements to demonstrate that the nitric acid formation rate (HO + NO2 → HNO3 (R1)) is overestimated by 22% (Henderson et al., 2012). A subsequent publication (Seltzer et al., 2015) demonstrated that single chemical constraint alters ozone and aerosol formation/composition. This work attempts to replicate previous chemical constraints with newer observations and a different modeling framework. We apply the previously successful constraint framework to Deep Convection Clouds and Chemistry (DC3). DC3 is a more recent field campaign where simulated nitrogen imbalances still exist. Freshly convected air parcels, identified in the DC3 dataset, as initial coordinates to initiate Lagrangian trajectories. Along each trajectory, we simulate the air parcel chemical state. Samples along the trajectories will form ensembles that represent possible realizations of UT air parcels. We then apply Bayesian inference to constrain nitrogen chemistry and compare results to the existing literature. Our anticipated results will confirm overestimation of HNO3 formation rate in previous work and provide further constraints on other nitrogen reaction rate coefficients that affect terminal products from NOx. We will particularly focus on organic nitrate chemistry that laboratory literature has yet to fully address. The results will provide useful insights into nitrogen chemistry that affects climate and human health.

GEANT4 Tuning For pCT Development

NASA Astrophysics Data System (ADS)

Yevseyeva, Olga; de Assis, Joaquim T.; Evseev, Ivan; Schelin, Hugo R.; Paschuk, Sergei A.; Milhoretto, Edney; Setti, João A. P.; Díaz, Katherin S.; Hormaza, Joel M.; Lopes, Ricardo T.

2011-08-01

Proton beams in medical applications deal with relatively thick targets like the human head or trunk. Thus, the fidelity of proton computed tomography (pCT) simulations as a tool for proton therapy planning depends in the general case on the accuracy of results obtained for the proton interaction with thick absorbers. GEANT4 simulations of proton energy spectra after passing thick absorbers do not agree well with existing experimental data, as showed previously. Moreover, the spectra simulated for the Bethe-Bloch domain showed an unexpected sensitivity to the choice of low-energy electromagnetic models during the code execution. These observations were done with the GEANT4 version 8.2 during our simulations for pCT. This work describes in more details the simulations of the proton passage through aluminum absorbers with varied thickness. The simulations were done by modifying only the geometry in the Hadrontherapy Example, and for all available choices of the Electromagnetic Physics Models. As the most probable reasons for these effects is some specific feature in the code, or some specific implicit parameters in the GEANT4 manual, we continued our study with version 9.2 of the code. Some improvements in comparison with our previous results were obtained. The simulations were performed considering further applications for pCT development.

SASS Applied to Optimum Work Roll Profile Selection in the Hot Rolling of Wide Steel

NASA Astrophysics Data System (ADS)

Nolle, Lars

The quality of steel strip produced in a wide strip rolling mill depends heavily on the careful selection of initial ground work roll profiles for each of the mill stands in the finishing train. In the past, these profiles were determined by human experts, based on their knowledge and experience. In previous work, the profiles were successfully optimised using a self-organising migration algorithm (SOMA). In this research, SASS, a novel heuristic optimisation algorithm that has only one control parameter, has been used to find the optimum profiles for a simulated rolling mill. The resulting strip quality produced using the profiles found by SASS is compared with results from previous work and the quality produced using the original profile specifications. The best set of profiles found by SASS clearly outperformed the original set and performed equally well as SOMA without the need of finding a suitable set of control parameters.

Molecular dynamics simulations for mechanical properties of borophene: parameterization of valence force field model and Stillinger-Weber potential

PubMed Central

Zhou, Yu-Ping; Jiang, Jin-Wu

2017-01-01

While most existing theoretical studies on the borophene are based on first-principles calculations, the present work presents molecular dynamics simulations for the lattice dynamical and mechanical properties in borophene. The obtained mechanical quantities are in good agreement with previous first-principles calculations. The key ingredients for these molecular dynamics simulations are the two efficient empirical potentials developed in the present work for the interaction of borophene with low-energy triangular structure. The first one is the valence force field model, which is developed with the assistance of the phonon dispersion of borophene. The valence force field model is a linear potential, so it is rather efficient for the calculation of linear quantities in borophene. The second one is the Stillinger-Weber potential, whose parameters are derived based on the valence force field model. The Stillinger-Weber potential is applicable in molecular dynamics simulations of nonlinear physical or mechanical quantities in borophene. PMID:28349983

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

Numerical Simulation of Permeation from Deposited Droplets: Model Expansion

DTIC Science & Technology

1992-04-01

This is primarily due to the low vapor pressures of chemical agent simulants, which minimize the driving forces for diffusion through the gas-phase...was presented at the November 1990 CRDEC Scientific Conference on Chemical Defense Research (4]. Previous work in this area also includes a substantial...most of the overall chemical poten- tial driving force is dissipated in the gas, not the membrane phase). 1.0 l 0.9-0 A 0 0.8 - 0.7 C 0.6,, 0.00 0.25

Interaction of deep and shallow convection is key to Madden-Julian Oscillation simulation

NASA Astrophysics Data System (ADS)

Zhang, Guang J.; Song, Xiaoliang

2009-05-01

This study investigates the role of the interaction between deep and shallow convection in MJO simulation using the NCAR CAM3. Two simulations were performed, one using a revised Zhang-McFarlane convection scheme for deep convection and the Hack scheme for shallow convection, and the other disallowing shallow convection below 700 mb in the tropical belt. The two simulations produce dramatically different MJO characteristics. While the control simulation produces realistic MJOs, the simulation without shallow convection has very weak MJO signals in the Indian Ocean and western Pacific. Composite analysis finds that shallow convection serves to precondition the lower troposphere by moistening it ahead of deep convection. It also produces enhanced low-level mass convergence below 850 mb ahead of deep convection. This work, together with previous studies, suggests that a correct simulation of the interaction between deep and shallow convection is key to MJO simulation in global climate models.

Problem Solving Under Time-Constraints.

ERIC Educational Resources Information Center

Richardson, Michael; Hunt, Earl

A model of how automated and controlled processing can be mixed in computer simulations of problem solving is proposed. It is based on previous work by Hunt and Lansman (1983), who developed a model of problem solving that could reproduce the data obtained with several attention and performance paradigms, extending production-system notation to…

Direct solar-pumped iodine laser amplifier

NASA Technical Reports Server (NTRS)

Han, Kwang S.; Hwang, In Heon; Stock, Larry V.

1989-01-01

This semiannual progress report covers the period from September 1, 1988 to February 28, 1989 under NASA grant NAG-1-441 entitled, Direct Solar-Pumped Iodine Laser Amplifier. During this period, the research effort was concentrated on the solar pumped master oscillator power amplifier (MOPA) system using n-C3F7I. In the experimental work, the amplification measurement was conducted to identify the optimum conditions for amplification of the center's Vortek solar simulator pumped iodine laser amplifier. A modeling effort was also pursued to explain the experimental results in the theoretical work. The amplification measurement of the solar simulator pumped iodine laser amplifier is the first amplification experiment on the continuously pumped amplifier. The small signal amplification of 5 was achieved for the triple pass geometry of the 15 cm long solar simulator pumped amplifier at the n-C3F7I pressure of 20 torr, at the flow velocity of 6 m/sec and at the pumping intensity of 1500 solar constants. The XeCl laser pumped iodine laser oscillator, which was developed in the previous research, was employed as the master oscillator for the amplification measurement. In the theoretical work, the rate equations of the amplifier was established and the small signal amplification was calculated for the solar simulator pumped iodine laser amplifier. The amplification calculated from the kinetic equations with the previously measured rate coefficients reveals very large disagreement with experimental measurement. Moreover, the optimum condition predicted by the kinetic equation is quite discrepant with that measured by experiment. This fact indicates the necessity of study in the measurement of rate coefficients of the continuously pumped iodine laser system.

Understanding the Effect of Grain Boundary Character on Dynamic Recrystallization in Stainless Steel 316L

NASA Astrophysics Data System (ADS)

Beck, Megan; Morse, Michael; Corolewski, Caleb; Fritchman, Koyuki; Stifter, Chris; Poole, Callum; Hurley, Michael; Frary, Megan

2017-08-01

Dynamic recrystallization (DRX) occurs during high-temperature deformation in metals and alloys with low to medium stacking fault energies. Previous simulations and experimental research have shown the effect of temperature and grain size on DRX behavior, but not the effect of the grain boundary character distribution. To investigate the effects of the distribution of grain boundary types, experimental testing was performed on stainless steel 316L specimens with different initial special boundary fractions (SBF). This work was completed in conjunction with computer simulations that used a modified Monte Carlo method which allowed for the addition of anisotropic grain boundary energies using orientation data from electron backscatter diffraction (EBSD). The correlation of the experimental and simulation work allows for a better understanding of how the input parameters in the simulations correspond to what occurs experimentally. Results from both simulations and experiments showed that a higher fraction of so-called "special" boundaries ( e.g., Σ3 twin boundaries) delayed the onset of recrystallization to larger strains and that it is energetically favorable for nuclei to form on triple junctions without these so-called "special" boundaries.

Multiscale modelling and analysis of collective decision making in swarm robotics.

PubMed

Vigelius, Matthias; Meyer, Bernd; Pascoe, Geoffrey

2014-01-01

We present a unified approach to describing certain types of collective decision making in swarm robotics that bridges from a microscopic individual-based description to aggregate properties. Our approach encompasses robot swarm experiments, microscopic and probabilistic macroscopic-discrete simulations as well as an analytic mathematical model. Following up on previous work, we identify the symmetry parameter, a measure of the progress of the swarm towards a decision, as a fundamental integrated swarm property and formulate its time evolution as a continuous-time Markov process. Contrary to previous work, which justified this approach only empirically and a posteriori, we justify it from first principles and derive hard limits on the parameter regime in which it is applicable.

New Method for calculating dynamical friction on a star moving through gas using Cartesian Simulations

NASA Astrophysics Data System (ADS)

Peng, Bo; Blackman, Eric

2018-01-01

Closely interacting binary stars can incur Common Envelope Evolution (CEE) when at least one of the stars enters a giant phase. The extent to which CEE leads to envelope ejection and how tight the binaries become after CEE as a function of the mass and type of the companion stars has a broad range of phenomenological implications for both low mass and high mass binary stellar systems. Global simulations of CEE are emerging, but to understand the underlying physics of CEE and make connections with analytic formalisms, it helpful to employ reduced numerical models. Here we present results and analyses from simulations of gravitational drag using a Cartesian approach. Using AstroBEAR, a parallelized hydrodynamic/MHD simulation code, we simulate a system in which a 0.1 MSun main sequence secondary star is embedded in gas characteristic of the Envelope of a 3 MSun AGB star. The relative motion of the secondary star against the stationary envelope is represented by a supersonic wind that immerses a point particle, which is initially at rest, yet gradually dragged by the wind. Our approach differs from previous related wind-tunnel work by MacLeod et al. (2015,2017) in that we allow the particle to be displaced, offering a direct measurement of the drag force from its motion. We verify the validity of our method, extract the accretion rate of material in the wake via numerical integration, and compare the results between our method and previous work. We also use the results to help constrain the efficiency parameter in widely used analytic parameterizations of CEE.

Validation of a Monte Carlo code system for grid evaluation with interference effect on Rayleigh scattering

NASA Astrophysics Data System (ADS)

Zhou, Abel; White, Graeme L.; Davidson, Rob

2018-02-01

Anti-scatter grids are commonly used in x-ray imaging systems to reduce scatter radiation reaching the image receptor. Anti-scatter grid performance and validation can be simulated through use of Monte Carlo (MC) methods. Our recently reported work has modified existing MC codes resulting in improved performance when simulating x-ray imaging. The aim of this work is to validate the transmission of x-ray photons in grids from the recently reported new MC codes against experimental results and results previously reported in other literature. The results of this work show that the scatter-to-primary ratio (SPR), the transmissions of primary (T p), scatter (T s), and total (T t) radiation determined using this new MC code system have strong agreement with the experimental results and the results reported in the literature. T p, T s, T t, and SPR determined in this new MC simulation code system are valid. These results also show that the interference effect on Rayleigh scattering should not be neglected in both mammographic and general grids’ evaluation. Our new MC simulation code system has been shown to be valid and can be used for analysing and evaluating the designs of grids.

A Simulation Model for Drift Resistive Ballooning Turbulence Examining the Influence of Self-consistent Zonal Flows

NASA Astrophysics Data System (ADS)

Cohen, Bruce; Umansky, Maxim; Joseph, Ilon

2015-11-01

Progress is reported on including self-consistent zonal flows in simulations of drift-resistive ballooning turbulence using the BOUT + + framework. Previous published work addressed the simulation of L-mode edge turbulence in realistic single-null tokamak geometry using the BOUT three-dimensional fluid code that solves Braginskii-based fluid equations. The effects of imposed sheared ExB poloidal rotation were included, with a static radial electric field fitted to experimental data. In new work our goal is to include the self-consistent effects on the radial electric field driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We describe a model for including self-consistent zonal flows and an algorithm for maintaining underlying plasma profiles to enable the simulation of steady-state turbulence. We examine the role of Braginskii viscous forces in providing necessary dissipation when including axisymmetric perturbations. We also report on some of the numerical difficulties associated with including the axisymmetric component of the fluctuating fields. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory (LLNL-ABS-674950).

Extracting atomic numbers and electron densities from a dual source dual energy CT scanner: experiments and a simulation model.

PubMed

Landry, Guillaume; Reniers, Brigitte; Granton, Patrick Vincent; van Rooijen, Bart; Beaulieu, Luc; Wildberger, Joachim E; Verhaegen, Frank

2011-09-01

Dual energy CT (DECT) imaging can provide both the electron density ρ(e) and effective atomic number Z(eff), thus facilitating tissue type identification. This paper investigates the accuracy of a dual source DECT scanner by means of measurements and simulations. Previous simulation work suggested improved Monte Carlo dose calculation accuracy when compared to single energy CT for low energy photon brachytherapy, but lacked validation. As such, we aim to validate our DECT simulation model in this work. A cylindrical phantom containing tissue mimicking inserts was scanned with a second generation dual source scanner (SOMATOM Definition FLASH) to obtain Z(eff) and ρ(e). A model of the scanner was designed in ImaSim, a CT simulation program, and was used to simulate the experiment. Accuracy of measured Z(eff) (labelled Z) was found to vary from -10% to 10% from low to high Z tissue substitutes while the accuracy on ρ(e) from DECT was about 2.5%. Our simulation reproduced the experiments within ±5% for both Z and ρ(e). A clinical DECT scanner was able to extract Z and ρ(e) of tissue substitutes. Our simulation tool replicates the experiments within a reasonable accuracy. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Virtual milk for modelling and simulation of dairy processes.

PubMed

Munir, M T; Zhang, Y; Yu, W; Wilson, D I; Young, B R

2016-05-01

The modeling of dairy processing using a generic process simulator suffers from shortcomings, given that many simulators do not contain milk components in their component libraries. Recently, pseudo-milk components for a commercial process simulator were proposed for simulation and the current work extends this pseudo-milk concept by studying the effect of both total milk solids and temperature on key physical properties such as thermal conductivity, density, viscosity, and heat capacity. This paper also uses expanded fluid and power law models to predict milk viscosity over the temperature range from 4 to 75°C and develops a succinct regressed model for heat capacity as a function of temperature and fat composition. The pseudo-milk was validated by comparing the simulated and actual values of the physical properties of milk. The milk thermal conductivity, density, viscosity, and heat capacity showed differences of less than 2, 4, 3, and 1.5%, respectively, between the simulated results and actual values. This work extends the capabilities of the previously proposed pseudo-milk and of a process simulator to model dairy processes, processing different types of milk (e.g., whole milk, skim milk, and concentrated milk) with different intrinsic compositions, and to predict correct material and energy balances for dairy processes. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Simulations of Global Flows in Io’s Rarefied Atmosphere

NASA Astrophysics Data System (ADS)

Hoey, William A.; Goldstein, D. B.; Varghese, P. L.; Trafton, L. M.; Walker, A. C.

2013-10-01

The sulfur-rich Ionian atmosphere is populated through a number of mechanisms, the most notable of which include sublimation from insolated surface frost deposits, material sputtering due to the impact of energetic ions from the Jovian plasma torus, and plume emission related to volcanic activity. While local flows are collisional at low altitudes on portions of the moon’s dayside, densities rapidly tend toward the free-molecular limit with altitude, necessitating non-continuum (rarefied gas dynamic) modeling and analysis. While recent work has modestly constrained the relative contributions of sputtering, sublimation, and volcanism to Io’s atmosphere, dynamic wind patterns driven by dayside sublimation and nightside condensation remain poorly understood. This work moves toward the explanation of mid-infrared observations that indicate an apparent super-rotating wind in Io’s atmosphere. In the present work, the Direct Simulation Monte Carlo method is employed in the modeling of Io’s rarefied atmosphere; simulations are computed in parallel, on a three-dimensional domain that spans the moon’s entire surface and extends hundreds of kilometers vertically, into the exobase. A wide range of physical phenomena have been incorporated into the atmospheric model, including: [1] the effects of planetary rotation; [2] surface temperature, surface frost inhomogeneity, and thermal inertia; [3] plasma heating and sputtering; [4] gas plumes from superimposed volcanic hot spots; and [5] multi-species chemistry. Furthermore, this work improves upon previous efforts by correcting for non-inertial effects in a moon-fixed reference frame. The influence of such effects on the development of global flow patterns and cyclonic wind is analyzed. The case in which Io transits Jupiter is considered, with the anti-Jovian hemisphere as the dayside. We predict that a circumlunar flow develops that is asymmetric about the subsolar point, and drives atmosphere from the warmer, dayside hemisphere toward the colder nightside. The resultant flow patterns, column densities, species concentrations, and temperatures are discussed in relation to previous simulations of Io in a pre-eclipse configuration. This research is supported via NASA-PATM.

Documenting the NASA Armstrong Flight Research Center Oblate Earth Simulation Equations of Motion and Integration Algorithm

NASA Technical Reports Server (NTRS)

Clarke, R.; Lintereur, L.; Bahm, C.

2016-01-01

A desire for more complete documentation of the National Aeronautics and Space Administration (NASA) Armstrong Flight Research Center (AFRC), Edwards, California legacy code used in the core simulation has led to this e ort to fully document the oblate Earth six-degree-of-freedom equations of motion and integration algorithm. The authors of this report have taken much of the earlier work of the simulation engineering group and used it as a jumping-o point for this report. The largest addition this report makes is that each element of the equations of motion is traced back to first principles and at no point is the reader forced to take an equation on faith alone. There are no discoveries of previously unknown principles contained in this report; this report is a collection and presentation of textbook principles. The value of this report is that those textbook principles are herein documented in standard nomenclature that matches the form of the computer code DERIVC. Previous handwritten notes are much of the backbone of this work, however, in almost every area, derivations are explicitly shown to assure the reader that the equations which make up the oblate Earth version of the computer routine, DERIVC, are correct.

Dynamical simulations of the HR8799 planetary system

NASA Astrophysics Data System (ADS)

Marshall, J.; Horner, J.; Carter, A.

2010-10-01

HR8799 is a young (20-160 Myr) A-dwarf main sequence star with a debris disc detected by IRAS (InfraRed Astronomical Satellite). In 2008, it was one of two stars around which exoplanets were directly imaged for the first time. The presence of three Jupiter-mass planets around HR8799 provoked much interest in modelling the dynamical stability of the system. Initial simulations indicated that the observed planetary architecture was unstable on timescales much shorter than the lifetime of the star (~105 yr). Subsequent models suggested that the system could be stable if the planets were locked in a 1:2:4 mutual mean motion resonance (MMR). In this work, we have examined the influence of varying orbital eccentricity and the semi-major axis on the stability of the three-planet system, through dynamical simulations using the MERCURY n-body integrator. We find that, in agreement with previous work on this system, the 1:2:4 MMR is the most stable planetary configuration, and that the system stability is dominated by the interaction between the inner pair of planets. In contrast to previous results, we find that with small eccentricities, the three-planet system can be stable for timescales comparable to the system lifetime and, potentially, much longer.

ON THE IMPACT OF THREE DIMENSIONS IN SIMULATIONS OF NEUTRINO-DRIVEN CORE-COLLAPSE SUPERNOVA EXPLOSIONS

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

Couch, Sean M., E-mail: smc@flash.uchicago.edu

2013-09-20

We present one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) hydrodynamical simulations of core-collapse supernovae including a parameterized neutrino heating and cooling scheme in order to investigate the critical core neutrino luminosity (L{sub crit}) required for explosion. In contrast to some previous works, we find that 3D simulations explode later than 2D simulations, and that L{sub crit} at fixed mass accretion rate is somewhat higher in three dimensions than in two dimensions. We find, however, that in two dimensions L{sub crit} increases as the numerical resolution of the simulation increases. In contrast to some previous works, we argue that the averagemore » entropy of the gain region is in fact not a good indicator of explosion but is rather a reflection of the greater mass in the gain region in two dimensions. We compare our simulations to semi-analytic explosion criteria and examine the nature of the convective motions in two dimensions and three dimensions. We discuss the balance between neutrino-driven buoyancy and drag forces. In particular, we show that the drag force will be proportional to a buoyant plume's surface area while the buoyant force is proportional to a plume's volume and, therefore, plumes with greater volume-to-surface-area ratios will rise more quickly. We show that buoyant plumes in two dimensions are inherently larger, with greater volume-to-surface-area ratios, than plumes in three dimensions. In the scenario that the supernova shock expansion is dominated by neutrino-driven buoyancy, this balance between buoyancy and drag forces may explain why 3D simulations explode later than 2D simulations and why L{sub crit} increases with resolution. Finally, we provide a comparison of our results with other calculations in the literature.« less

Using Multi-Spacecraft Technique to Identify the Structure of Magnetic Field in CMEs

NASA Astrophysics Data System (ADS)

Al-haddad, N. A.; Jacobs, C.; Poedts, S.; Moestl, C.; Farrugia, C. J.; Lugaz, N.

2013-12-01

In order to understand the magnetic field structure of coronal mass ejections (CMEs), it is often required to investigate its local configuration at different positions of the CME. While this could be very challenging to implement observationally; it is rather applicable when using numerical simulations. In this work, we study the properties of a simulated CME using multi-spacecraft technique. We have shown previously how the reconstruction of magnetic fields from a single spacecraft, may yield misleading results. Here, we look into the reconstruction of the magnetic field using sets of two, and three spacecrafts at different longitudes, and discuss the effectiveness of this technique. This type of work can pave the way for future out-of-the-ecliptic missions such as Solar Probe or Solar Orbiter. Grad-Shafranov reconstruction of simulated satellite measurements of a CME containing writhed field lines.

Refinement of Objective Motion Cueing Criteria Investigation Based on Three Flight Tasks

NASA Technical Reports Server (NTRS)

Zaal, Petrus M. T.; Schroeder, Jeffery A.; Chung, William W.

2017-01-01

The objective of this paper is to refine objective motion cueing criteria for commercial transport simulators based on pilots' performance in three flying tasks. Actuator hardware and software algorithms determine motion cues. Today, during a simulator qualification, engineers objectively evaluate only the hardware. Pilot inspectors subjectively assess the overall motion cueing system (i.e., hardware plus software); however, it is acknowledged that pinpointing any deficiencies that might arise to either hardware or software is challenging. ICAO 9625 has an Objective Motion Cueing Test (OMCT), which is now a required test in the FAA's part 60 regulations for new devices, evaluating the software and hardware together; however, it lacks accompanying fidelity criteria. Hosman has documented OMCT results for a statistical sample of eight simulators which is useful, but having validated criteria would be an improvement. In a previous experiment, we developed initial objective motion cueing criteria that this paper is trying to refine. Sinacori suggested simple criteria which are in reasonable agreement with much of the literature. These criteria often necessitate motion displacements greater than most training simulators can provide. While some of the previous work has used transport aircraft in their studies, the majority used fighter aircraft or helicopters. Those that used transport aircraft considered degraded flight characteristics. As a result, earlier criteria lean more towards being sufficient, rather than necessary, criteria for typical transport aircraft training applications. Considering the prevalence of 60-inch, six-legged hexapod training simulators, a relevant question is "what are the necessary criteria that can be used with the ICAO 9625 diagnostic?" This study adds to the literature as follows. First, it examines well-behaved transport aircraft characteristics, but in three challenging tasks. The tasks are equivalent to the ones used in our previous experiment, allowing us to directly compare the results and add to the previous data. Second, it uses the Vertical Motion Simulator (VMS), the world's largest vertical displacement simulator. This allows inclusion of relatively large motion conditions, much larger than a typical training simulator can provide. Six new motion configurations were used that explore the motion responses between the initial objective motion cueing boundaries found in a previous experiment and what current hexapod simulators typically provide. Finally, a sufficiently large pilot pool added statistical reliability to the results.

A Permeability Study of O2 and the Trace Amine p-Tyramine through Model Phosphatidylcholine Bilayers

PubMed Central

Holland, Bryan W.; Berry, Mark D.; Gray, C. G.; Tomberli, Bruno

2015-01-01

We study here the permeability of the hydrophobic O2 molecule through a model DPPC bilayer at 323K and 350K, and of the trace amine p-tyramine through PC bilayers at 310K. The tyramine results are compared to previous experimental work at 298K. Nonequilibrium work methods were used in conjunction to simultaneously obtain both the potential of mean force (PMF) and the position dependent transmembrane diffusion coefficient, D(z), from the simulations. These in turn were used to calculate the permeability coefficient, P, through the inhomogeneous solubility-diffusion model. The results for O2 are consistent with previous simulations, and agree with experimentally measured P values for PC bilayers. A temperature dependence in the permeability of O2 through DPPC was obtained, with P decreasing at higher temperatures. Two relevant species of p-tyramine were simulated, from which the PMF and D(z) were calculated. The charged species had a large energetic barrier to crossing the bilayer of ~ 21 kcal/mol, while the uncharged, deprotonated species had a much lower barrier of ~ 7 kcal/mol. The effective in silico permeability for p-tyramine was calculated by applying three approximations, all of which gave nearly identical results (presented here as a function of the pKa). As the permeability value calculated from simulation was highly dependent on the pKa of the amine group, a further pKa study was performed that also varied the fraction of the uncharged and zwitterionic p-tyramine species. Using the experimental P value together with the simulated results, we were able to label the phenolic group as responsible for the pKa1 and the amine for the pKa2, that together represent all of the experimentally measured pKa values for p-tyramine. This agrees with older experimental results, in contrast to more recent work that has suggested there is a strong ambiguity in the pKa values. PMID:26086933

Methodology for turbulence code validation: Quantification of simulation-experiment agreement and application to the TORPEX experiment

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

Ricci, Paolo; Theiler, C.; Fasoli, A.

A methodology for plasma turbulence code validation is discussed, focusing on quantitative assessment of the agreement between experiments and simulations. The present work extends the analysis carried out in a previous paper [P. Ricci et al., Phys. Plasmas 16, 055703 (2009)] where the validation observables were introduced. Here, it is discussed how to quantify the agreement between experiments and simulations with respect to each observable, how to define a metric to evaluate this agreement globally, and - finally - how to assess the quality of a validation procedure. The methodology is then applied to the simulation of the basic plasmamore » physics experiment TORPEX [A. Fasoli et al., Phys. Plasmas 13, 055902 (2006)], considering both two-dimensional and three-dimensional simulation models.« less

Fusion Simulation Project Workshop Report

NASA Astrophysics Data System (ADS)

Kritz, Arnold; Keyes, David

2009-03-01

The mission of the Fusion Simulation Project is to develop a predictive capability for the integrated modeling of magnetically confined plasmas. This FSP report adds to the previous activities that defined an approach to integrated modeling in magnetic fusion. These previous activities included a Fusion Energy Sciences Advisory Committee panel that was charged to study integrated simulation in 2002. The report of that panel [Journal of Fusion Energy 20, 135 (2001)] recommended the prompt initiation of a Fusion Simulation Project. In 2003, the Office of Fusion Energy Sciences formed a steering committee that developed a project vision, roadmap, and governance concepts [Journal of Fusion Energy 23, 1 (2004)]. The current FSP planning effort involved 46 physicists, applied mathematicians and computer scientists, from 21 institutions, formed into four panels and a coordinating committee. These panels were constituted to consider: Status of Physics Components, Required Computational and Applied Mathematics Tools, Integration and Management of Code Components, and Project Structure and Management. The ideas, reported here, are the products of these panels, working together over several months and culminating in a 3-day workshop in May 2007.

An earth imaging camera simulation using wide-scale construction of reflectance surfaces

NASA Astrophysics Data System (ADS)

Murthy, Kiran; Chau, Alexandra H.; Amin, Minesh B.; Robinson, M. Dirk

2013-10-01

Developing and testing advanced ground-based image processing systems for earth-observing remote sensing applications presents a unique challenge that requires advanced imagery simulation capabilities. This paper presents an earth-imaging multispectral framing camera simulation system called PayloadSim (PaySim) capable of generating terabytes of photorealistic simulated imagery. PaySim leverages previous work in 3-D scene-based image simulation, adding a novel method for automatically and efficiently constructing 3-D reflectance scenes by draping tiled orthorectified imagery over a geo-registered Digital Elevation Map (DEM). PaySim's modeling chain is presented in detail, with emphasis given to the techniques used to achieve computational efficiency. These techniques as well as cluster deployment of the simulator have enabled tuning and robust testing of image processing algorithms, and production of realistic sample data for customer-driven image product development. Examples of simulated imagery of Skybox's first imaging satellite are shown.

Numerical Simulation of Protoplanetary Vortices

NASA Technical Reports Server (NTRS)

Lin, H.; Barranco, J. A.; Marcus, P. S.

2003-01-01

The fluid dynamics within a protoplanetary disk has been attracting the attention of many researchers for a few decades. Previous works include, to list only a few among many others, the well-known prescription of Shakura & Sunyaev, the convective and instability study of Stone & Balbus and Hawley et al., the Rossby wave approach of Lovelace et al., as well as a recent work by Klahr & Bodenheimer, which attempted to identify turbulent flow within the disk. The disk is commonly understood to be a thin gas disk rotating around a central star with differential rotation (the Keplerian velocity), and the central quest remains as how the flow behavior deviates (albeit by a small amount) from a strong balance established between gravitational and centrifugal forces, transfers mass and momentum inward, and eventually forms planetesimals and planets. In earlier works we have briefly described the possible physical processes involved in the disk; we have proposed the existence of long-lasting, coherent vortices as an efficient agent for mass and momentum transport. In particular, Barranco et al. provided a general mathematical framework that is suitable for the asymptotic regime of the disk; Barranco & Marcus (2000) addressed a proposed vortex-dust interaction mechanism which might lead to planetesimal formation; and Lin et al. (2002), as inspired by general geophysical vortex dynamics, proposed basic mechanisms by which vortices can transport mass and angular momentum. The current work follows up on our previous effort. We shall focus on the detailed numerical implementation of our problem. We have developed a parallel, pseudo-spectral code to simulate the full three-dimensional vortex dynamics in a stably-stratified, differentially rotating frame, which represents the environment of the disk. Our simulation is validated with full diagnostics and comparisons, and we present our results on a family of three-dimensional, coherent equilibrium vortices.

Quantum dynamical simulation of photoinduced electron transfer processes in dye-semiconductor systems: theory and application to coumarin 343 at TiO₂.

PubMed

Li, Jingrui; Kondov, Ivan; Wang, Haobin; Thoss, Michael

2015-04-10

A recently developed methodology to simulate photoinduced electron transfer processes at dye-semiconductor interfaces is outlined. The methodology employs a first-principles-based model Hamiltonian and accurate quantum dynamics simulations using the multilayer multiconfiguration time-dependent Hartree approach. This method is applied to study electron injection in the dye-semiconductor system coumarin 343-TiO2. Specifically, the influence of electronic-vibrational coupling is analyzed. Extending previous work, we consider the influence of Dushinsky rotation of the normal modes as well as anharmonicities of the potential energy surfaces on the electron transfer dynamics.

Validation of thermal effects of LED package by using Elmer finite element simulation method

NASA Astrophysics Data System (ADS)

Leng, Lai Siang; Retnasamy, Vithyacharan; Mohamad Shahimin, Mukhzeer; Sauli, Zaliman; Taniselass, Steven; Bin Ab Aziz, Muhamad Hafiz; Vairavan, Rajendaran; Kirtsaeng, Supap

2017-02-01

The overall performance of the Light-emitting diode, LED package is critically affected by the heat attribution. In this study, open source software - Elmer FEM has been utilized to study the thermal analysis of the LED package. In order to perform a complete simulation study, both Salome software and ParaView software were introduced as Pre and Postprocessor. The thermal effect of the LED package was evaluated by this software. The result has been validated with commercially licensed software based on previous work. The percentage difference from both simulation results is less than 5% which is tolerable and comparable.

Targeted Approach to Overcoming Treatment Resistance in Advanced Prostate Cancer

DTIC Science & Technology

2013-07-01

molecular   dynamics  as  in  our  previous  works  (Vasilyeva,  A  et  al,  2009;  Vasilyeva,  A   et...results  and  pitfalls.     Molecular  docking  experiments  were  performed  as   follows:   The   molecular  docking  was...al,  2010;Salsbury.  2010).  However,  for  this  work  more  extensive   simulations

Active Galactic Nucleus Feedback in an Elliptical Galaxy with the Most Updated AGN Physics. I. Low Angular Momentum Case

NASA Astrophysics Data System (ADS)

Yuan, Feng; Yoon, DooSoo; Li, Ya-Ping; Gan, Zhao-Ming; Ho, Luis C.; Guo, Fulai

2018-04-01

We investigate the effects of AGN feedback on the cosmological evolution of an isolated elliptical galaxy by performing two-dimensional high-resolution hydrodynamical numerical simulations. The inner boundary of the simulation is chosen so that the Bondi radius is resolved. Compared to previous works, the two accretion modes—namely, hot and cold, which correspond to different accretion rates and have different radiation and wind outputs—are carefully discriminated, and the feedback effects by radiation and wind in each mode are taken into account. The most updated AGN physics, including the descriptions of radiation and wind from the hot accretion flows and wind from cold accretion disks, are adopted. Physical processes like star formation and SNe Ia and II are taken into account. We study the AGN light curve, typical AGN lifetime, growth of the black hole mass, AGN duty cycle, star formation, and X-ray surface brightness of the galaxy. We compare our simulation results with observations and find general consistency. Comparisons with previous simulation works find significant differences, indicating the importance of AGN physics. The respective roles of radiation and wind feedback are examined, and it is found that they are different for different problems of interest, such as AGN luminosity and star formation. We find that it is hard to neglect any of them, so we suggest using the names “cold feedback mode” and “hot feedback mode” to replace the currently used ones.

Wang-Landau sampling: Saving CPU time

NASA Astrophysics Data System (ADS)

Ferreira, L. S.; Jorge, L. N.; Leão, S. A.; Caparica, A. A.

2018-04-01

In this work we propose an improvement to the Wang-Landau (WL) method that allows an economy in CPU time of about 60% leading to the same results with the same accuracy. We used the 2D Ising model to show that one can initiate all WL simulations using the outputs of an advanced WL level from a previous simulation. We showed that up to the seventh WL level (f6) the simulations are not biased yet and can proceed to any value that the simulation from the very beginning would reach. As a result the initial WL levels can be simulated just once. It was also observed that the saving in CPU time is larger for larger lattice sizes, exactly where the computational cost is considerable. We carried out high-resolution simulations beginning initially from the first WL level (f0) and another beginning from the eighth WL level (f7) using all the data at the end of the previous level and showed that the results for the critical temperature Tc and the critical static exponents β and γ coincide within the error bars. Finally we applied the same procedure to the 1/2-spin Baxter-Wu model and the economy in CPU time was of about 64%.

The Use of a Block Diagram Simulation Language for Rapid Model Prototyping

NASA Technical Reports Server (NTRS)

Whitlow, Johnathan E.; Engrand, Peter

1996-01-01

The research performed this summer was a continuation of work performed during the 1995 NASA/ASEE Summer Fellowship. The focus of the work was to expand previously generated predictive models for liquid oxygen (LOX) loading into the external fuel tank of the shuttle. The models which were developed using a block diagram simulation language known as VisSim, were evaluated on numerous shuttle flights and found to well in most cases. Once the models were refined and validated, the predictive methods were integrated into the existing Rockwell software propulsion advisory tool (PAT). Although time was not sufficient to completely integrate the models developed into PAT, the ability to predict flows and pressures in the orbiter section and graphically display the results was accomplished.

Augmenting intraoperative MRI with preoperative fMRI and DTI by biomechanical simulation of brain deformation

NASA Astrophysics Data System (ADS)

Warfield, Simon K.; Talos, Florin; Kemper, Corey; Cosman, Eric; Tei, Alida; Ferrant, Matthieu; Macq, Benoit M. M.; Wells, William M., III; Black, Peter M.; Jolesz, Ferenc A.; Kikinis, Ron

2003-05-01

The key challenge facing the neurosurgeon during neurosurgery is to be able to remove from the brain as much tumor tissue as possible while preserving healthy tissue and minimizing the disruption of critical anatomical structures. The purpose of this work was to demonstrate the use of biomechanical simulation of brain deformation to project preoperative fMRI and DTI data into the coordinate system of the patient brain deformed during neurosurgery. This projection enhances the visualization of relevant critical structures available to the neurosurgeon. Our approach to tracking brain changes during neurosurgery has been previously described. We applied this procedure to warp preoperative fMRI and DTI to match intraoperative MRI. We constructed visualizations of preoperative fMRI and DTI, and intraoperative MRI showing a close correspondence between the matched data. We have previously demonstrated our biomechanical simulation of brain deformation can be executed entirely during neurosurgery. We previously used a generic atlas as a substitute for patient specific data. Here we report the successful alignment of patient-specific DTI and fMRI preoperative data into the intraoperative configuration of the patient's brain. This can significantly enhance the information available to the neurosurgeon.

Spatial Dependence and Heterogeneity in Bayesian Factor Analysis: A Cross-National Investigation of Schwartz Values

ERIC Educational Resources Information Center

Stakhovych, Stanislav; Bijmolt, Tammo H. A.; Wedel, Michel

2012-01-01

In this article, we present a Bayesian spatial factor analysis model. We extend previous work on confirmatory factor analysis by including geographically distributed latent variables and accounting for heterogeneity and spatial autocorrelation. The simulation study shows excellent recovery of the model parameters and demonstrates the consequences…

Central and Peripheral Vision Loss Differentially Affects Contextual Cueing in Visual Search

ERIC Educational Resources Information Center

Geringswald, Franziska; Pollmann, Stefan

2015-01-01

Visual search for targets in repeated displays is more efficient than search for the same targets in random distractor layouts. Previous work has shown that this contextual cueing is severely impaired under central vision loss. Here, we investigated whether central vision loss, simulated with gaze-contingent displays, prevents the incidental…

Muscle-tendon mechanics explain unexpected effects of exoskeleton assistance on metabolic rate during walking.

PubMed

Jackson, Rachel W; Dembia, Christopher L; Delp, Scott L; Collins, Steven H

2017-06-01

The goal of this study was to gain insight into how ankle exoskeletons affect the behavior of the plantarflexor muscles during walking. Using data from previous experiments, we performed electromyography-driven simulations of musculoskeletal dynamics to explore how changes in exoskeleton assistance affected plantarflexor muscle-tendon mechanics, particularly for the soleus. We used a model of muscle energy consumption to estimate individual muscle metabolic rate. As average exoskeleton torque was increased, while no net exoskeleton work was provided, a reduction in tendon recoil led to an increase in positive mechanical work performed by the soleus muscle fibers. As net exoskeleton work was increased, both soleus muscle fiber force and positive mechanical work decreased. Trends in the sum of the metabolic rates of the simulated muscles correlated well with trends in experimentally observed whole-body metabolic rate ( R 2 =0.9), providing confidence in our model estimates. Our simulation results suggest that different exoskeleton behaviors can alter the functioning of the muscles and tendons acting at the assisted joint. Furthermore, our results support the idea that the series tendon helps reduce positive work done by the muscle fibers by storing and returning energy elastically. We expect the results from this study to promote the use of electromyography-driven simulations to gain insight into the operation of muscle-tendon units and to guide the design and control of assistive devices. © 2017. Published by The Company of Biologists Ltd.

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

Zhukhovitskii, D. I., E-mail: dmr@ihed.ras.ru

The vapor–liquid nucleation in a dense Lennard-Jones system is studied analytically and numerically. A solution of the nucleation kinetic equations, which includes the elementary processes of condensation/evaporation involving the lightest clusters, is obtained, and the nucleation rate is calculated. Based on the equation of state for the cluster vapor, the pre-exponential factor is obtained. The latter diverges as a spinodal is reached, which results in the nucleation enhancement. The work of critical cluster formation is calculated using the previously developed two-parameter model (TPM) of small clusters. A simple expression for the nucleation rate is deduced and it is shown thatmore » the work of cluster formation is reduced for a dense vapor. This results in the nucleation enhancement as well. To verify the TPM, a simulation is performed that mimics a steady-state nucleation experiments in the thermal diffusion cloud chamber. The nucleating vapor with and without a carrier gas is simulated using two different thermostats for the monomers and clusters. The TPM proves to match the simulation results of this work and of other studies.« less

Real-time generation of infrared ocean scene based on GPU

NASA Astrophysics Data System (ADS)

Jiang, Zhaoyi; Wang, Xun; Lin, Yun; Jin, Jianqiu

2007-12-01

Infrared (IR) image synthesis for ocean scene has become more and more important nowadays, especially for remote sensing and military application. Although a number of works present ready-to-use simulations, those techniques cover only a few possible ways of water interacting with the environment. And the detail calculation of ocean temperature is rarely considered by previous investigators. With the advance of programmable features of graphic card, many algorithms previously limited to offline processing have become feasible for real-time usage. In this paper, we propose an efficient algorithm for real-time rendering of infrared ocean scene using the newest features of programmable graphics processors (GPU). It differs from previous works in three aspects: adaptive GPU-based ocean surface tessellation, sophisticated balance equation of thermal balance for ocean surface, and GPU-based rendering for infrared ocean scene. Finally some results of infrared image are shown, which are in good accordance with real images.

Testing new approaches to carbonate system simulation at the reef scale: the ReefSam model first results, application to a question in reef morphology and future challenges.

NASA Astrophysics Data System (ADS)

Barrett, Samuel; Webster, Jody

2016-04-01

Numerical simulation of the stratigraphy and sedimentology of carbonate systems (carbonate forward stratigraphic modelling - CFSM) provides significant insight into the understanding of both the physical nature of these systems and the processes which control their development. It also provides the opportunity to quantitatively test conceptual models concerning stratigraphy, sedimentology or geomorphology, and allows us to extend our knowledge either spatially (e.g. between bore holes) or temporally (forwards or backwards in time). The later is especially important in determining the likely future development of carbonate systems, particularly regarding the effects of climate change. This application, by its nature, requires successful simulation of carbonate systems on short time scales and at high spatial resolutions. Previous modelling attempts have typically focused on the scales of kilometers and kilo-years or greater (the scale of entire carbonate platforms), rather than at the scale of centuries or decades, and tens to hundreds of meters (the scale of individual reefs). Previous work has identified limitations in common approaches to simulating important reef processes. We present a new CFSM, Reef Sedimentary Accretion Model (ReefSAM), which is designed to test new approaches to simulating reef-scale processes, with the aim of being able to better simulate the past and future development of coral reefs. Four major features have been tested: 1. A simulation of wave based hydrodynamic energy with multiple simultaneous directions and intensities including wave refraction, interaction, and lateral sheltering. 2. Sediment transport simulated as sediment being moved from cell to cell in an iterative fashion until complete deposition. 3. A coral growth model including consideration of local wave energy and composition of the basement substrate (as well as depth). 4. A highly quantitative model testing approach where dozens of output parameters describing the reef morphology and development are compared with observational data. Despite being a test-bed and work in progress, ReefSAM was able to simulate the Holocene development of One Tree Reef in the Southern Great Barrier Reef (Australia) and was able to improve upon previous modelling attempts in terms of both quantitative measures and qualitative outputs, such as the presence of previously un-simulated reef features. Given the success of the model in simulating the Holocene development of OTR, we used it to quantitatively explore the effect of basement substrate depth and morphology on reef maturity/lagoonal filling (as discussed by Purdy and Gischer 2005). Initial results show a number of non-linear relationships between basement substrate depth, lagoonal filling and volume of sand produced on the reef rims and deposited in the lagoon. Lastly, further testing of the model has revealed new challenges which are likely to manifest in any attempt at reef-scale simulation. Subtly different sets of energy direction and magnitude input parameters (different in each time step but with identical probability distributions across the entire model run) resulted in a wide range of quantitative model outputs. Time step length is a likely contributing factor and the results of further testing to address this challenge will be presented.

Noise Radiation From a Leading-Edge Slat

NASA Technical Reports Server (NTRS)

Lockard, David P.; Choudhari, Meelan M.

2009-01-01

This paper extends our previous computations of unsteady flow within the slat cove region of a multi-element high-lift airfoil configuration, which showed that both statistical and structural aspects of the experimentally observed unsteady flow behavior can be captured via 3D simulations over a computational domain of narrow spanwise extent. Although such narrow domain simulation can account for the spanwise decorrelation of the slat cove fluctuations, the resulting database cannot be applied towards acoustic predictions of the slat without invoking additional approximations to synthesize the fluctuation field over the rest of the span. This deficiency is partially alleviated in the present work by increasing the spanwise extent of the computational domain from 37.3% of the slat chord to nearly 226% (i.e., 15% of the model span). The simulation database is used to verify consistency with previous computational results and, then, to develop predictions of the far-field noise radiation in conjunction with a frequency-domain Ffowcs-Williams Hawkings solver.

Uranus: a rapid prototyping tool for FPGA embedded computer vision

NASA Astrophysics Data System (ADS)

Rosales-Hernández, Victor; Castillo-Jimenez, Liz; Viveros-Velez, Gilberto; Zuñiga-Grajeda, Virgilio; Treviño Torres, Abel; Arias-Estrada, M.

2007-01-01

The starting point for all successful system development is the simulation. Performing high level simulation of a system can help to identify, insolate and fix design problems. This work presents Uranus, a software tool for simulation and evaluation of image processing algorithms with support to migrate them to an FPGA environment for algorithm acceleration and embedded processes purposes. The tool includes an integrated library of previous coded operators in software and provides the necessary support to read and display image sequences as well as video files. The user can use the previous compiled soft-operators in a high level process chain, and code his own operators. Additional to the prototyping tool, Uranus offers FPGA-based hardware architecture with the same organization as the software prototyping part. The hardware architecture contains a library of FPGA IP cores for image processing that are connected with a PowerPC based system. The Uranus environment is intended for rapid prototyping of machine vision and the migration to FPGA accelerator platform, and it is distributed for academic purposes.

Ram Pressure Stripping: Observations Meet Simulations

NASA Astrophysics Data System (ADS)

Past, Matthew; Ruszkowski, Mateusz; Sharon, Keren

2017-01-01

Ram pressure stripping occurs when a galaxy falls into the potential well of a cluster, removing gas and dust as the galaxy travels through the intracluster medium. This interaction leads to filamentary gas tails stretching behind the galaxy and plays an important role in galaxy evolution. Previously, these “jellyfish” galaxies had only been observed in nearby clusters, but recently, higher redshift (z > 0.3) examples have been found from HST data imaging.Recent work has shown that cosmic rays injected by supernovae can cause galactic disks to thicken due to cosmic ray pressure. We run three-dimensional magneto-hydrodynamical simulations of ram pressure stripping including cosmic rays to compare to previous models. We study how the efficiency of the ram pressure stripping of the gas, and the morphology of the filamentary tails, depend on the magnitude of the cosmic ray pressure support. We generate mock X-ray images and radio polarization data. Simultaneously, we perform an exhaustive search of the HST archive to increase the sample of jellyfish galaxies and compare selected cases to simulations.

Modelling and simulation of “Free Cooling” process applied to building construction

NASA Astrophysics Data System (ADS)

Ousegui, A.; Asbik, M.

2018-05-01

Thermal energy storage systems (TES), using phase change material (PCM) in building walls, consists a hot topic within the research community currently. In the present work, a numerical model is developed to simulate free cooling of air-PCM heat exchanger in both charging and discharging steps. The studied case is taken from experimental work. The domain consists in two parallel plates made of Paraffin as PCM, separate by a gap where air circulates. The flow and temperature can be adjusted. The goal is to calculate the temperature of the air at the outlet, in order to analyse the performance of the device. A good agreement was founded between experimental and numerical results. The analysis of the influence of the flow rate on the efficiency of the process confirms a previous works, that the heating flow rate should be higher than cooling one.

An R package for simulating growth and organic wastage in aquaculture farms in response to environmental conditions and husbandry practices

PubMed Central

Baldan, Damiano; Porporato, Erika Maria Diletta; Pastres, Roberto

2018-01-01

A new R software package, RAC, is presented. RAC allows to simulate the rearing cycle of 4 species, finfish and shellfish, highly important in terms of production in the Mediterranean Sea. The package works both at the scale of the individual and of the farmed population. Mathematical models included in RAC were all validated in previous works, and account for growth and metabolism, based on input data characterizing the forcing functions—water temperature, and food quality/quantity. The package provides a demo dataset of forcings for each species, as well as a typical set of husbandry parameters for Mediterranean conditions. The present work illustrates RAC main features, and its current capabilities/limitations. Three test cases are presented as a proof of concept of RAC applicability, and to demonstrate its potential for integrating different open products nowadays provided by remote sensing and operational oceanography. PMID:29723208

Using a Large-scale Neural Model of Cortical Object Processing to Investigate the Neural Substrate for Managing Multiple Items in Short-term Memory.

PubMed

Liu, Qin; Ulloa, Antonio; Horwitz, Barry

2017-11-01

Many cognitive and computational models have been proposed to help understand working memory. In this article, we present a simulation study of cortical processing of visual objects during several working memory tasks using an extended version of a previously constructed large-scale neural model [Tagamets, M. A., & Horwitz, B. Integrating electrophysiological and anatomical experimental data to create a large-scale model that simulates a delayed match-to-sample human brain imaging study. Cerebral Cortex, 8, 310-320, 1998]. The original model consisted of arrays of Wilson-Cowan type of neuronal populations representing primary and secondary visual cortices, inferotemporal (IT) cortex, and pFC. We added a module representing entorhinal cortex, which functions as a gating module. We successfully implemented multiple working memory tasks using the same model and produced neuronal patterns in visual cortex, IT cortex, and pFC that match experimental findings. These working memory tasks can include distractor stimuli or can require that multiple items be retained in mind during a delay period (Sternberg's task). Besides electrophysiology data and behavioral data, we also generated fMRI BOLD time series from our simulation. Our results support the involvement of IT cortex in working memory maintenance and suggest the cortical architecture underlying the neural mechanisms mediating particular working memory tasks. Furthermore, we noticed that, during simulations of memorizing a list of objects, the first and last items in the sequence were recalled best, which may implicate the neural mechanism behind this important psychological effect (i.e., the primacy and recency effect).

COMIS -- an international multizone air-flow and contaminant transport model

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

Feustel, H.E.

1998-08-01

A number of interzonal models have been developed to calculate air flows and pollutant transport mechanisms in both single and multizone buildings. A recent development in multizone air-flow modeling, the COMIS model, has a number of capabilities that go beyond previous models, much as COMIS can be used as either a stand-alone air-flow model with input and output features or as an infiltration module for thermal building simulation programs. COMIS was designed during a 12 month workshop at Lawrence Berkeley National Laboratory (LBNL) in 1988-89. In 1990, the Executive Committee of the International Energy Agency`s Energy Conservation in Buildings andmore » Community Systems program created a working group on multizone air-flow modeling, which continued work on COMIS. The group`s objectives were to study physical phenomena causing air flow and pollutant (e.g., moisture) transport in multizone buildings, develop numerical modules to be integrated in the previously designed multizone air flow modeling system, and evaluate the computer code. The working group supported by nine nations, officially finished in late 1997 with the release of IISiBat/COMIS 3.0, which contains the documented simulation program COMIS, the user interface IISiBat, and reports describing the evaluation exercise.« less

Multiscale Modelling and Analysis of Collective Decision Making in Swarm Robotics

PubMed Central

Vigelius, Matthias; Meyer, Bernd; Pascoe, Geoffrey

2014-01-01

We present a unified approach to describing certain types of collective decision making in swarm robotics that bridges from a microscopic individual-based description to aggregate properties. Our approach encompasses robot swarm experiments, microscopic and probabilistic macroscopic-discrete simulations as well as an analytic mathematical model. Following up on previous work, we identify the symmetry parameter, a measure of the progress of the swarm towards a decision, as a fundamental integrated swarm property and formulate its time evolution as a continuous-time Markov process. Contrary to previous work, which justified this approach only empirically and a posteriori, we justify it from first principles and derive hard limits on the parameter regime in which it is applicable. PMID:25369026

Uniform rovibrational collisional N2 bin model for DSMC, with application to atmospheric entry flows

NASA Astrophysics Data System (ADS)

Torres, E.; Bondar, Ye. A.; Magin, T. E.

2016-11-01

A state-to-state model for internal energy exchange and molecular dissociation allows for high-fidelity DSMC simulations. Elementary reaction cross sections for the N2 (v, J)+ N system were previously extracted from a quantum-chemical database, originally compiled at NASA Ames Research Center. Due to the high computational cost of simulating the full range of inelastic collision processes (approx. 23 million reactions), a coarse-grain model, called the Uniform RoVibrational Collisional (URVC) bin model can be used instead. This allows to reduce the original 9390 rovibrational levels of N2 to 10 energy bins. In the present work, this reduced model is used to simulate a 2D flow configuration, which more closely reproduces the conditions of high-speed entry into Earth's atmosphere. For this purpose, the URVC bin model had to be adapted for integration into the "Rarefied Gas Dynamics Analysis System" (RGDAS), a separate high-performance DSMC code capable of handling complex geometries and parallel computations. RGDAS was developed at the Institute of Theoretical and Applied Mechanics in Novosibirsk, Russia for use by the European Space Agency (ESA) and shares many features with the well-known SMILE code developed by the same group. We show that the reduced mechanism developed previously can be implemented in RGDAS, and the results exhibit nonequilibrium effects consistent with those observed in previous 1D-simulations.

Solubility of NaCl in water by molecular simulation revisited.

PubMed

Aragones, J L; Sanz, E; Vega, C

2012-06-28

In this paper, the solubility of NaCl in water is evaluated by using computer simulations for three different force fields. The condition of chemical equilibrium (i.e., equal chemical potential of the salt in the solid and in the solution) is obtained at room temperature and pressure to determine the solubility of the salt. We used the same methodology that was described in our previous work [E. Sanz and C. Vega, J. Chem. Phys. 126, 014507 (2007)] although several modifications were introduced to improve the accuracy of the calculations. It is found that the predictions of the solubility are quite sensitive to the details of the force field used. Certain force fields underestimate the experimental solubility of NaCl in water by a factor of four, whereas the predictions of other force fields are within 20% of the experimental value. Direct coexistence molecular dynamic simulations were also performed to determine the solubility of the salt. Reasonable agreement was found between the solubility obtained from free energy calculations and that obtained from direct coexistence simulations. This work shows that the evaluation of the solubility of salts in water can now be performed in computer simulations. The solubility depends on the ion-ion, ion-water, and water-water interactions. For this reason, the prediction of the solubility can be quite useful in future work to develop force fields for ions in water.

Nucleation and growth in one dimension. I. The generalized Kolmogorov-Johnson-Mehl-Avrami model

NASA Astrophysics Data System (ADS)

Jun, Suckjoon; Zhang, Haiyang; Bechhoefer, John

2005-01-01

Motivated by a recent application of the Kolmogorov-Johnson-Mehl-Avrami (KJMA) model to the study of DNA replication, we consider the one-dimensional (1D) version of this model. We generalize previous work to the case where the nucleation rate is an arbitrary function I(t) and obtain analytical results for the time-dependent distributions of various quantities (such as the island distribution). We also present improved computer simulation algorithms to study the 1D KJMA model. The analytical results and simulations are in excellent agreement.

Simulation of fluidized bed coal combustors

NASA Technical Reports Server (NTRS)

Rajan, R.

1979-01-01

The many deficiencies of previous work on simulation of fluidized bed combustion (FBC) processes are presented. An attempt is made to reduce these deficiencies, and to formulate a comprehensive FBC model taking into account the following elements: (1) devolatilization of coal and the subsequent combustion of volatiles and residual char; (2) sulfur dioxide capture by limestone; (3) NOx release and reduction of NOx by char; (4) attrition and elutriation of char and limestone; (5) bubble hydrodynamics; (6) solids mixing; (7) heat transfer between gas and solid, and solid and heat exchange surfaces; and (8) freeboard reactions.

The Effect of Golden Pothos in Reducing the Level of Volatile Organic Compounds in a Simulated Spacecraft Cabin

NASA Technical Reports Server (NTRS)

Ursprung, Matthew; Amiri, Azita; Kayatin, Matthew; Perry, Jay

2016-01-01

The impact of Golden Pothos on indoor air quality was studied against a simulated spacecraft trace contaminant load model, consistent with the International Space Station (ISS), containing volatile organic compounds (VOCs) and formaldehyde. Previous research provides inconclusive results on the efficacy of plant VOC removal which this projects seeks to rectify through a better experimental design. This work develops a passive system for removing common VOC's from spacecraft and household indoor air and decreasing the necessity for active cabin trace contaminant removal systems.

The Emergency Landing Planner Experiment

NASA Technical Reports Server (NTRS)

Meuleau, Nocolas F.; Neukom, Christian; Plaunt, Christian John; Smith, David E.; Smith, Tristan B.

2011-01-01

In previous work, we described an Emergency Landing Planner (ELP) designed to assist pilots in choosing the best emergency landing site when damage or failures occur in an aircraft. In this paper, we briefly describe the system, but focus on the integration of this system into the cockpit of a 6 DOF full-motion simulator and a study designed to evaluate the ELP. We discuss the results of this study, the lessons learned, and some of the issues involved in advancing this work further.

Excess protons in water-acetone mixtures. II. A conductivity study.

PubMed

Semino, Rocío; Longinotti, M Paula

2013-10-28

In the present work we complement a previous simulation study [R. Semino and D. Laria, J. Chem. Phys. 136, 194503 (2012)] on the disruption of the proton transfer mechanism in water by the addition of an aprotic solvent, such as acetone. We provide experimental measurements of the mobility of protons in aqueous-acetone mixtures in a wide composition range, for water molar fractions, xw, between 0.05 and 1.00. Furthermore, new molecular dynamics simulation results are presented for rich acetone mixtures, which provide further insight into the proton transport mechanism in water-non-protic solvent mixtures. The proton mobility was analyzed between xw 0.05 and 1.00 and compared to molecular dynamics simulation data. Results show two qualitative changes in the proton transport composition dependence at xw ∼ 0.25 and 0.8. At xw < 0.25 the ratio of the infinite dilution molar conductivities of HCl and LiCl, Λ(0)(HCl).Λ(0)(LiCl)(-1), is approximately constant and equal to one, since the proton diffusion is vehicular and equal to that of Li(+). At xw ∼ 0.25, proton mobility starts to differ from that of Li(+) indicating that above this concentration the Grotthuss transport mechanism starts to be possible. Molecular dynamics simulation results showed that at this threshold concentration the probability of interconversion between two Eigen structures starts to be non-negligible. At xw ∼ 0.8, the infinite molar conductivity of HCl concentration dependence qualitatively changes. This result is in excellent agreement with the analysis presented in the previous simulation work and it has been ascribed to the interchange of water and acetone molecules in the second solvation shell of the hydronium ion.

Staffs’ and managers’ perceptions of how and when discrete event simulation modelling can be used as a decision support in quality improvement: a focus group discussion study at two hospital settings in Sweden

PubMed Central

Hvitfeldt-Forsberg, Helena; Mazzocato, Pamela; Glaser, Daniel; Keller, Christina; Unbeck, Maria

2017-01-01

Objective To explore healthcare staffs’ and managers’ perceptions of how and when discrete event simulation modelling can be used as a decision support in improvement efforts. Design Two focus group discussions were performed. Setting Two settings were included: a rheumatology department and an orthopaedic section both situated in Sweden. Participants Healthcare staff and managers (n=13) from the two settings. Interventions Two workshops were performed, one at each setting. Workshops were initiated by a short introduction to simulation modelling. Results from the respective simulation model were then presented and discussed in the following focus group discussion. Results Categories from the content analysis are presented according to the following research questions: how and when simulation modelling can assist healthcare improvement? Regarding how, the participants mentioned that simulation modelling could act as a tool for support and a way to visualise problems, potential solutions and their effects. Regarding when, simulation modelling could be used both locally and by management, as well as a pedagogical tool to develop and test innovative ideas and to involve everyone in the improvement work. Conclusions Its potential as an information and communication tool and as an instrument for pedagogic work within healthcare improvement render a broader application and value of simulation modelling than previously reported. PMID:28588107

Conservative GRMHD simulations of moderately thin, tilted accretion disks

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

Teixeira, Danilo Morales; Fragile, P. Chris; Zhuravlev, Viacheslav V.

2014-12-01

This paper presents our latest numerical simulations of accretion disks that are misaligned with respect to the rotation axis of a Kerr black hole. In this work, we use a new, fully conservative version of the Cosmos++ general relativistic magnetohydrodynamics (GRMHD) code, coupled with an ad hoc cooling function designed to control the thickness of the disk. Together these allow us to simulate the thinnest tilted accretion disks ever using a GRMHD code. In this way, we are able to probe the regime where the dimensionless stress and scale height of the disk become comparable. We present results for bothmore » prograde and retrograde cases. The simulated prograde tilted disk shows no sign of Bardeen-Petterson alignment even in the innermost parts of the disk. The simulated retrograde tilted disk, however, does show modest alignment. The implication of these results is that the parameter space associated with Bardeen-Petterson alignment for prograde disks may be rather small, only including very thin disks. Unlike our previous work, we find no evidence for standing shocks in our simulated tilted disks. We ascribe this to the black hole spin, tilt angle, and disk scale height all being small in these simulations. We also add to the growing body of literature pointing out that the turbulence driven by the magnetorotational instability in global simulations of accretion disks is not isotropic. Finally, we provide a comparison between our moderately thin, untilted reference simulation and other numerical simulations of thin disks in the literature.« less

Extremely pulsatile flow around a surface-mounted hemisphere: synergistic experiments and simulations

NASA Astrophysics Data System (ADS)

Carr, Ian A.; Beratlis, Nikolaos; Balaras, Elias; Plesniak, Michael W.

2017-11-01

Extremely pulsatile flow (where the amplitude of oscillation pulsation is of the same order as the mean flow) over a three-dimensional, surface-mounted bluff body gives rise a wealth of fluid dynamics phenomena. In this study, we extend our previous experimental work on extremely pulsatile flow around a surface-mounted hemisphere by performing a complementary direct numerical simulation. Results from the experiment and simulation will be presented and compared. After establishing the agreement between experiment and simulation, we will examine the morphology and dynamics of the vortex structures in the wake of the hemisphere, and the effects of extreme pulsatility. The dynamics of the arch-type recirculation vortex is of primary interest, in particular its upstream propagation due to self-induced velocity in the direction opposite to the freestream during deceleration. In addition to the velocity field, the surface pressure field throughout the pulsatile cycle will be presented. These synergistic experiments and simulations provide a detailed view into the complex flow fields associated with pulsatile flow over a surface-mounted hemisphere. This material is based upon work supported by the National Science Foundation under Grant Number CBET-1236351 and the GW Center for Biomimetics and Bioinspired Engineering.

Zero dimensional model of atmospheric SMD discharge and afterglow in humid air

NASA Astrophysics Data System (ADS)

Smith, Ryan; Kemaneci, Efe; Offerhaus, Bjoern; Stapelmann, Katharina; Peter Brinkmann, Ralph

2016-09-01

A novel mesh-like Surface Micro Discharge (SMD) device designed for surface wound treatment is simulated by multiple time-scaled zero-dimensional models. The chemical dynamics of the discharge are resolved in time at atmospheric pressure in humid conditions. Simulated are the particle densities of electrons, 26 ionic species, and 26 reactive neutral species including: O3, NO, and HNO3. The total of 53 described species are constrained by 624 reactions within the simulated plasma discharge volume. The neutral species are allowed to diffuse into a diffusive gas regime which is of primary interest. Two interdependent zero-dimensional models separated by nine orders of magnitude in temporal resolution are used to accomplish this; thereby reducing the computational load. Through variation of control parameters such as: ignition frequency, deposited power density, duty cycle, humidity level, and N2 content, the ideal operation conditions for the SMD device can be predicted. The described model has been verified by matching simulation parameters and comparing results to that of previous works. Current operating conditions of the experimental mesh-like SMD were matched and results are compared to the simulations. Work supported by SFB TR 87.

Simplified Predictive Models for CO 2 Sequestration Performance Assessment: Research Topical Report on Task #4 - Reduced-Order Method (ROM) Based Models

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

Mishra, Srikanta; Jin, Larry; He, Jincong

2015-06-30

Reduced-order models provide a means for greatly accelerating the detailed simulations that will be required to manage CO 2 storage operations. In this work, we investigate the use of one such method, POD-TPWL, which has previously been shown to be effective in oil reservoir simulation problems. This method combines trajectory piecewise linearization (TPWL), in which the solution to a new (test) problem is represented through a linearization around the solution to a previously-simulated (training) problem, with proper orthogonal decomposition (POD), which enables solution states to be expressed in terms of a relatively small number of parameters. We describe the applicationmore » of POD-TPWL for CO 2-water systems simulated using a compositional procedure. Stanford’s Automatic Differentiation-based General Purpose Research Simulator (AD-GPRS) performs the full-order training simulations and provides the output (derivative matrices and system states) required by the POD-TPWL method. A new POD-TPWL capability introduced in this work is the use of horizontal injection wells that operate under rate (rather than bottom-hole pressure) control. Simulation results are presented for CO 2 injection into a synthetic aquifer and into a simplified model of the Mount Simon formation. Test cases involve the use of time-varying well controls that differ from those used in training runs. Results of reasonable accuracy are consistently achieved for relevant well quantities. Runtime speedups of around a factor of 370 relative to full- order AD-GPRS simulations are achieved, though the preprocessing needed for POD-TPWL model construction corresponds to the computational requirements for about 2.3 full-order simulation runs. A preliminary treatment for POD-TPWL modeling in which test cases differ from training runs in terms of geological parameters (rather than well controls) is also presented. Results in this case involve only small differences between training and test runs, though they do demonstrate that the approach is able to capture basic solution trends. The impact of some of the detailed numerical treatments within the POD-TPWL formulation is considered in an Appendix.« less

Development of cost-effective surfactant flooding technology, Quarterly report, October 1995--December 1995

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

Pope, G.A.; Sepehrnoori, K.

1995-12-31

The objective of this research is to develop cost-effective surfactant flooding technology by using simulation studies to evaluate and optimize alternative design strategies taking into account reservoir characteristics process chemistry, and process design options such as horizontal wells. Task 1 is the development of an improved numerical method for our simulator that will enable us to solve a wider class of these difficult simulation problems accurately and affordably. Task 2 is the application of this simulator to the optimization of surfactant flooding to reduce its risk and cost. In this quarter, we have continued working on Task 2 to optimizemore » surfactant flooding design and have included economic analysis to the optimization process. An economic model was developed using a spreadsheet and the discounted cash flow (DCF) method of economic analysis. The model was designed specifically for a domestic onshore surfactant flood and has been used to economically evaluate previous work that used a technical approach to optimization. The DCF model outputs common economic decision making criteria, such as net present value (NPV), internal rate of return (IRR), and payback period.« less

The role of disc self-gravity in circumbinary planet systems - I. Disc structure and evolution

NASA Astrophysics Data System (ADS)

Mutter, Matthew M.; Pierens, Arnaud; Nelson, Richard P.

2017-03-01

We present the results of two-dimensional hydrodynamic simulations of self-gravitating circumbinary discs around binaries whose parameters match those of the circumbinary planet-hosting systems Kepler-16, Kepler-34 and Kepler-35. Previous work has shown that non-self-gravitating discs in these systems form an eccentric precessing inner cavity due to tidal truncation by the binary, and planets which form at large radii migrate until stalling at this cavity. Whilst this scenario appears to provide a natural explanation for the observed orbital locations of the circumbinary planets, previous simulations have failed to match the observed planet orbital parameters. The aim of this work is to examine the role of self-gravity in modifying circumbinary disc structure as a function of disc mass, prior to considering the evolution of embedded circumbinary planets. In agreement with previous work, we find that for disc masses between one and five times the minimum mass solar nebula (MMSN), disc self-gravity affects modest changes in the structure and evolution of circumbinary discs. Increasing the disc mass to 10 or 20 MMSN leads to two dramatic changes in disc structure. First, the scale of the inner cavity shrinks substantially, bringing its outer edge closer to the binary. Secondly, in addition to the eccentric inner cavity, additional precessing eccentric ring-like features develop in the outer regions of the discs. If planet formation starts early in the disc lifetime, these changes will have a significant impact on the formation and evolution of planets and precursor material.

Coarse graining of atactic polystyrene and its derivatives

NASA Astrophysics Data System (ADS)

Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S.

2014-03-01

Capturing large length scales in polymers and soft matter while retaining atomistic properties is imperative to computational studies of dynamic systems. Here we present a new methodology developing coarse-grain model based on atomistic simulation of atactic polystyrene (PS). Similar to previous work by Fritz et al., each monomer is described by two coarse grained beads. In contrast to this earlier work where intramolecular potentials were based on Monte Carlo simulation of both isotactic and syndiotactic single PS molecule to capture stereochemistry, we obtained intramolecular interactions from a single molecular dynamics simulation of an all-atom atactic PS melts. The non-bonded interactions are obtained using the iterative Boltzmann inversion (IBI) scheme. This methodology has been extended to coarse graining of poly-(t-butyl-styrene) (PtBS). An additional coarse-grained bead is used to describe the t-butyl group. Similar to the process for PS, the intramolecular interactions are obtained from a single all atom atactic melt simulation. Starting from the non-bonded interactions for PS, we show that the IBI method for the non-bonded interactions of PtBS converges relatively fast. A generalized scheme for substituted PS is currently in development. We would like to acknowledge Prof. Kurt Kremer for helpful discussions during this work.

Three-Dimensional Simulations of the Convective Urca Process in Pre-Supernova White Dwarfs

NASA Astrophysics Data System (ADS)

Willcox, Donald E.; Townsley, Dean; Zingale, Michael; Calder, Alan

2017-01-01

A significant source of uncertainty in modeling the progenitor systems of Type Ia supernovae is the dynamics of the convective Urca process in which beta decay and electron capture reactions remove energy from and decrease the buoyancy of carbon-fueled convection in the progenitor white dwarf. The details of the Urca process during this simmering phase have long remained computationally intractable in three-dimensional simulations because of the very low convective velocities and the associated timestep constraints of compressible hydrodynamics methods. We report on recent work simulating the A=23 (Ne/Na) Urca process in convecting white dwarfs in three dimensions using the low-Mach hydrodynamics code MAESTRO. We simulate white dwarf models inspired by one-dimensional stellar evolution calculations at the stage when the outer edge of the convection zone driven by core carbon burning reaches the A=23 Urca shell. We compare our methods and results to those of previous work in one and two dimensions, discussing the implications of three dimensional turbulence. We also comment on the prospect of our results informing one-dimensional stellar evolution calculations and the Type Ia supernovae progenitor problem.This work was supported in part by the Department of Energy under grant DE-FG02-87ER40317.

Customization in the Design and Implementation of the RiverWeb Water Quality Simulator (WQS).

ERIC Educational Resources Information Center

Verona, Mary Ellen; Curtis, David

When developing curriculum materials for new contexts, designers feed forward work from similar projects. This customization process must attend to various influences to determine how features from previous efforts will be emphasized and combined. This paper discusses resources and ideas that influenced the design of the RiverWeb Water Quality…

ON THE CAUSE OF SOLAR-LIKE EQUATORWARD MIGRATION IN GLOBAL CONVECTIVE DYNAMO SIMULATIONS

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

Warnecke, Jörn; Käpylä, Petri J.; Käpylä, Maarit J.

2014-11-20

We present results from four convectively driven stellar dynamo simulations in spherical wedge geometry. All of these simulations produce cyclic and migrating mean magnetic fields. Through detailed comparisons, we show that the migration direction can be explained by an αΩ dynamo wave following the Parker-Yoshimura rule. We conclude that the equatorward migration in this and previous work is due to a positive (negative) α effect in the northern (southern) hemisphere and a negative radial gradient of Ω outside the inner tangent cylinder of these models. This idea is supported by a strong correlation between negative radial shear and toroidal fieldmore » strength in the region of equatorward propagation.« less

The influence of anesthesia and fluid-structure interaction on simulated shear stress patterns in the carotid bifurcation of mice.

PubMed

De Wilde, David; Trachet, Bram; De Meyer, Guido; Segers, Patrick

2016-09-06

Low and oscillatory wall shear stresses (WSS) near aortic bifurcations have been linked to the onset of atherosclerosis. In previous work, we calculated detailed WSS patterns in the carotid bifurcation of mice using a Fluid-structure interaction (FSI) approach. We subsequently fed the animals a high-fat diet and linked the results of the FSI simulations to those of atherosclerotic plaque location on a within-subject basis. However, these simulations were based on boundary conditions measured under anesthesia, while active mice might experience different hemodynamics. Moreover, the FSI technique for mouse-specific simulations is both time- and labor-intensive, and might be replaced by simpler and easier Computational Fluid Dynamics (CFD) simulations. The goal of the current work was (i) to compare WSS patterns based on anesthesia conditions to those representing active resting and exercising conditions; and (ii) to compare WSS patterns based on FSI simulations to those based on steady-state and transient CFD simulations. For each of the 3 computational techniques (steady state CFD, transient CFD, FSI) we performed 5 simulations: 1 for anesthesia, 2 for conscious resting conditions and 2 more for conscious active conditions. The inflow, pressure and heart rate were scaled according to representative in vivo measurements obtained from literature. When normalized by the maximal shear stress value, shear stress patterns were similar for the 3 computational techniques. For all activity levels, steady state CFD led to an overestimation of WSS values, while FSI simulations yielded a clear increase in WSS reversal at the outer side of the sinus of the external carotid artery that was not visible in transient CFD-simulations. Furthermore, the FSI simulations in the highest locomotor activity state showed a flow recirculation zone in the external carotid artery that was not present under anesthesia. This recirculation went hand in hand with locally increased WSS reversal. Our data show that FSI simulations are not necessary to obtain normalized WSS patterns, but indispensable to assess the oscillatory behavior of the WSS in mice. Flow recirculation and WSS reversal at the external carotid artery may occur during high locomotor activity while they are not present under anesthesia. These phenomena might thus influence plaque formation to a larger extent than what was previously assumed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.

PubMed

Lemkul, Justin A; MacKerell, Alexander D

2017-05-09

Empirical force fields seek to relate the configuration of a set of atoms to its energy, thus yielding the forces governing its dynamics, using classical physics rather than more expensive quantum mechanical calculations that are computationally intractable for large systems. Most force fields used to simulate biomolecular systems use fixed atomic partial charges, neglecting the influence of electronic polarization, instead making use of a mean-field approximation that may not be transferable across environments. Recent hardware and software developments make polarizable simulations feasible, and to this end, polarizable force fields represent the next generation of molecular dynamics simulation technology. In this work, we describe the refinement of a polarizable force field for DNA based on the classical Drude oscillator model by targeting quantum mechanical interaction energies and conformational energy profiles of model compounds necessary to build a complete DNA force field. The parametrization strategy employed in the present work seeks to correct weak base stacking in A- and B-DNA and the unwinding of Z-DNA observed in the previous version of the force field, called Drude-2013. Refinement of base nonbonded terms and reparametrization of dihedral terms in the glycosidic linkage, deoxyribofuranose rings, and important backbone torsions resulted in improved agreement with quantum mechanical potential energy surfaces. Notably, we expand on previous efforts by explicitly including Z-DNA conformational energetics in the refinement.

Effects of biases in domain wall network evolution. II. Quantitative analysis

NASA Astrophysics Data System (ADS)

Correia, J. R. C. C. C.; Leite, I. S. C. R.; Martins, C. J. A. P.

2018-04-01

Domain walls form at phase transitions which break discrete symmetries. In a cosmological context, they often overclose the Universe (contrary to observational evidence), although one may prevent this by introducing biases or forcing anisotropic evolution of the walls. In a previous work [Correia et al., Phys. Rev. D 90, 023521 (2014), 10.1103/PhysRevD.90.023521], we numerically studied the evolution of various types of biased domain wall networks in the early Universe, confirming that anisotropic networks ultimately reach scaling while those with a biased potential or biased initial conditions decay. We also found that the analytic decay law obtained by Hindmarsh was in good agreement with simulations of biased potentials, but not of biased initial conditions, and suggested that the difference was related to the Gaussian approximation underlying the analytic law. Here, we extend our previous work in several ways. For the cases of biased potential and biased initial conditions, we study in detail the field distributions in the simulations, confirming that the validity (or not) of the Gaussian approximation is the key difference between the two cases. For anisotropic walls, we carry out a more extensive set of numerical simulations and compare them to the canonical velocity-dependent one-scale model for domain walls, finding that the model accurately predicts the linear scaling regime after isotropization. Overall, our analysis provides a quantitative description of the cosmological evolution of these networks.

Molecular dynamics analysis of the influence of Coulomb and van der Waals interactions on the work of adhesion at the solid-liquid interface

NASA Astrophysics Data System (ADS)

Surblys, Donatas; Leroy, Frédéric; Yamaguchi, Yasutaka; Müller-Plathe, Florian

2018-04-01

We investigated the solid-liquid work of adhesion of water on a model silica surface by molecular dynamics simulations, where a methodology previously developed to determine the work of adhesion through thermodynamic integration was extended to a system with long-range electrostatic interactions between solid and liquid. In agreement with previous studies, the work of adhesion increased when the magnitude of the surface polarity was increased. On the other hand, we found that when comparing two systems with and without solid-liquid electrostatic interactions, which were set to have approximately the same total solid-liquid interfacial energy, former had a significantly smaller work of adhesion and a broader distribution in the interfacial energies, which has not been previously reported in detail. This was explained by the entropy contribution to the adhesion free energy; i.e., the former with a broader energy distribution had a larger interfacial entropy than the latter. While the entropy contribution to the work of adhesion has already been known, as a work of adhesion itself is free energy, these results indicate that, contrary to common belief, wetting behavior such as the contact angle is not only governed by the interfacial energy but also significantly affected by the interfacial entropy. Finally, a new interpretation of interfacial entropy in the context of solid-liquid energy variance was offered, from which a fast way to qualitatively estimate the work of adhesion was also presented.

CHORUS code for solar and planetary convection

NASA Astrophysics Data System (ADS)

Wang, Junfeng

Turbulent, density stratified convection is ubiquitous in stars and planets. Numerical simulation has become an indispensable tool for understanding it. A primary contribution of this dissertation work is the creation of the Compressible High-ORder Unstructured Spectral-difference (CHORUS) code for simulating the convection and related fluid dynamics in the interiors of stars and planets. In this work, the CHORUS code is verified by using two newly defined benchmark cases and demonstrates excellent parallel performance. It has unique potential to simulate challenging physical phenomena such as multi-scale solar convection, core convection, and convection in oblate, rapidly-rotating stars. In order to exploit its unique capabilities, the CHORUS code has been extended to perform the first 3D simulations of convection in oblate, rapidly rotating solar-type stars. New insights are obtained with respect to the influence of oblateness on the convective structure and heat flux transport. With the presence of oblateness resulting from the centrifugal force effect, the convective structure in the polar regions decouples from the main convective modes in the equatorial regions. Our convection simulations predict that heat flux peaks in both the polar and equatorial regions, contrary to previous theoretical results that predict darker equators. High latitudinal zonal jets are also observed in the simulations.

Analysis and optimization of population annealing

NASA Astrophysics Data System (ADS)

Amey, Christopher; Machta, Jonathan

2018-03-01

Population annealing is an easily parallelizable sequential Monte Carlo algorithm that is well suited for simulating the equilibrium properties of systems with rough free-energy landscapes. In this work we seek to understand and improve the performance of population annealing. We derive several useful relations between quantities that describe the performance of population annealing and use these relations to suggest methods to optimize the algorithm. These optimization methods were tested by performing large-scale simulations of the three-dimensional (3D) Edwards-Anderson (Ising) spin glass and measuring several observables. The optimization methods were found to substantially decrease the amount of computational work necessary as compared to previously used, unoptimized versions of population annealing. We also obtain more accurate values of several important observables for the 3D Edwards-Anderson model.

Performance simulation of a radial flow type impeller of centrifugal pumps using CFD

NASA Astrophysics Data System (ADS)

López, R.; Vaca, M.; Terres, H.; Lizardi, A.; Chávez, S.; García., M.

2017-01-01

The numerical simulation of a centrifugal impeller that had previously been designed and manufactured is presented in this paper. The following operating conditions were determined: 0.50 m3/min volumetric flow at a load of 25 m, velocity of rotation of 1750 rpm, and specific velocity of 0. 27. The ANSYS CFX 14.5 software with the k-ε turbulence model was used for simulation with appropriate boundary conditions. The distributions of velocities in the flow field in addition to the distribution of pressures on the entire impeller were obtained. The simulation showed no negative values for the pressure at the entrance of the impeller. The curve of hydrodynamic behaviour of the impeller, which contains the point of operation in which the pump will work was also developed.

Pre-service Teachers Learn the Nature of Science in Simulated Worlds

NASA Astrophysics Data System (ADS)

Marshall, Jill

2007-10-01

Although the Texas Essential Knowledge and Skills include an understanding of the nature of science as an essential goal of every high school science course, few students report opportunities to explore essential characteristics of science in their previous classes. A simulated-world environment (Erickson, 2005) allows students to function as working scientists and discover these essential elements for themselves (i.e. that science is evidence-based and involves testable conjectures, that theories have limitations and are constantly being modified based on new discoveries to more closely reflect the natural world.) I will report on pre-service teachers' exploration of two simulated worlds and resulting changes in their descriptions of the nature of science. Erickson (2005). Simulating the Nature of Science. Presentation at the 2005 Summer AAPT Meeting, Salt Lake City, UT.

Moving target, distributed, real-time simulation using Ada

NASA Technical Reports Server (NTRS)

Collins, W. R.; Feyock, S.; King, L. A.; Morell, L. J.

1985-01-01

Research on a precompiler solution is described for the moving target compiler problem encountered when trying to run parallel simulation algorithms on several microcomputers. The precompiler is under development at NASA-Lewis for simulating jet engines. Since the behavior of any component of a jet engine, e.g., the fan inlet, rear duct, forward sensor, etc., depends on the previous behaviors and not the current behaviors of other components, the behaviors can be modeled on different processors provided the outputs of the processors reach other processors in appropriate time intervals. The simulator works in compute and transfer modes. The Ada procedure sets for the behaviors of different components are divided up and routed by the precompiler, which essentially receives a multitasking program. The subroutines are synchronized after each computation cycle.

Genetically modified haloes: towards controlled experiments in ΛCDM galaxy formation

NASA Astrophysics Data System (ADS)

Roth, Nina; Pontzen, Andrew; Peiris, Hiranya V.

2016-01-01

We propose a method to generate `genetically modified' (GM) initial conditions for high-resolution simulations of galaxy formation in a cosmological context. Building on the Hoffman-Ribak algorithm, we start from a reference simulation with fully random initial conditions, then make controlled changes to specific properties of a single halo (such as its mass and merger history). The algorithm demonstrably makes minimal changes to other properties of the halo and its environment, allowing us to isolate the impact of a given modification. As a significant improvement over previous work, we are able to calculate the abundance of the resulting objects relative to the reference simulation. Our approach can be applied to a wide range of cosmic structures and epochs; here we study two problems as a proof of concept. First, we investigate the change in density profile and concentration as the collapse times of three individual haloes are varied at fixed final mass, showing good agreement with previous statistical studies using large simulation suites. Secondly, we modify the z = 0 mass of haloes to show that our theoretical abundance calculations correctly recover the halo mass function. The results demonstrate that the technique is robust, opening the way to controlled experiments in galaxy formation using hydrodynamic zoom simulations.

Statistics of Magnetic Reconnection X-Lines in Kinetic Turbulence

NASA Astrophysics Data System (ADS)

Haggerty, C. C.; Parashar, T.; Matthaeus, W. H.; Shay, M. A.; Wan, M.; Servidio, S.; Wu, P.

2016-12-01

In this work we examine the statistics of magnetic reconnection (x-lines) and their associated reconnection rates in intermittent current sheets generated in turbulent plasmas. Although such statistics have been studied previously for fluid simulations (e.g. [1]), they have not yet been generalized to fully kinetic particle-in-cell (PIC) simulations. A significant problem with PIC simulations, however, is electrostatic fluctuations generated due to numerical particle counting statistics. We find that analyzing gradients of the magnetic vector potential from the raw PIC field data identifies numerous artificial (or non-physical) x-points. Using small Orszag-Tang vortex PIC simulations, we analyze x-line identification and show that these artificial x-lines can be removed using sub-Debye length filtering of the data. We examine how turbulent properties such as the magnetic spectrum and scale dependent kurtosis are affected by particle noise and sub-Debye length filtering. We subsequently apply these analysis methods to a large scale kinetic PIC turbulent simulation. Consistent with previous fluid models, we find a range of normalized reconnection rates as large as ½ but with the bulk of the rates being approximately less than to 0.1. [1] Servidio, S., W. H. Matthaeus, M. A. Shay, P. A. Cassak, and P. Dmitruk (2009), Magnetic reconnection and two-dimensional magnetohydrodynamic turbulence, Phys. Rev. Lett., 102, 115003.

Illumination discrimination in real and simulated scenes

PubMed Central

Radonjić, Ana; Pearce, Bradley; Aston, Stacey; Krieger, Avery; Dubin, Hilary; Cottaris, Nicolas P.; Brainard, David H.; Hurlbert, Anya C.

2016-01-01

Characterizing humans' ability to discriminate changes in illumination provides information about the visual system's representation of the distal stimulus. We have previously shown that humans are able to discriminate illumination changes and that sensitivity to such changes depends on their chromatic direction. Probing illumination discrimination further would be facilitated by the use of computer-graphics simulations, which would, in practice, enable a wider range of stimulus manipulations. There is no a priori guarantee, however, that results obtained with simulated scenes generalize to real illuminated scenes. To investigate this question, we measured illumination discrimination in real and simulated scenes that were well-matched in mean chromaticity and scene geometry. Illumination discrimination thresholds were essentially identical for the two stimulus types. As in our previous work, these thresholds varied with illumination change direction. We exploited the flexibility offered by the use of graphics simulations to investigate whether the differences across direction are preserved when the surfaces in the scene are varied. We show that varying the scene's surface ensemble in a manner that also changes mean scene chromaticity modulates the relative sensitivity to illumination changes along different chromatic directions. Thus, any characterization of sensitivity to changes in illumination must be defined relative to the set of surfaces in the scene. PMID:28558392

A Computational and Experimental Study of Resonators in Three Dimensions

NASA Technical Reports Server (NTRS)

Tam, C. K. W.; Ju, H.; Jones, Michael G.; Watson, Willie R.; Parrott, Tony L.

2009-01-01

In a previous work by the present authors, a computational and experimental investigation of the acoustic properties of two-dimensional slit resonators was carried out. The present paper reports the results of a study extending the previous work to three dimensions. This investigation has two basic objectives. The first is to validate the computed results from direct numerical simulations of the flow and acoustic fields of slit resonators in three dimensions by comparing with experimental measurements in a normal incidence impedance tube. The second objective is to study the flow physics of resonant liners responsible for sound wave dissipation. Extensive comparisons are provided between computed and measured acoustic liner properties with both discrete frequency and broadband sound sources. Good agreements are found over a wide range of frequencies and sound pressure levels. Direct numerical simulation confirms the previous finding in two dimensions that vortex shedding is the dominant dissipation mechanism at high sound pressure intensity. However, it is observed that the behavior of the shed vortices in three dimensions is quite different from those of two dimensions. In three dimensions, the shed vortices tend to evolve into ring (circular in plan form) vortices, even though the slit resonator opening from which the vortices are shed has an aspect ratio of 2.5. Under the excitation of discrete frequency sound, the shed vortices align themselves into two regularly spaced vortex trains moving away from the resonator opening in opposite directions. This is different from the chaotic shedding of vortices found in two-dimensional simulations. The effect of slit aspect ratio at a fixed porosity is briefly studied. For the range of liners considered in this investigation, it is found that the absorption coefficient of a liner increases when the open area of the single slit is subdivided into multiple, smaller slits.

Efficient generation of connectivity in neuronal networks from simulator-independent descriptions

PubMed Central

Djurfeldt, Mikael; Davison, Andrew P.; Eppler, Jochen M.

2014-01-01

Simulator-independent descriptions of connectivity in neuronal networks promise greater ease of model sharing, improved reproducibility of simulation results, and reduced programming effort for computational neuroscientists. However, until now, enabling the use of such descriptions in a given simulator in a computationally efficient way has entailed considerable work for simulator developers, which must be repeated for each new connectivity-generating library that is developed. We have developed a generic connection generator interface that provides a standard way to connect a connectivity-generating library to a simulator, such that one library can easily be replaced by another, according to the modeler's needs. We have used the connection generator interface to connect C++ and Python implementations of the previously described connection-set algebra to the NEST simulator. We also demonstrate how the simulator-independent modeling framework PyNN can transparently take advantage of this, passing a connection description through to the simulator layer for rapid processing in C++ where a simulator supports the connection generator interface and falling-back to slower iteration in Python otherwise. A set of benchmarks demonstrates the good performance of the interface. PMID:24795620

Meal Disturbance Effect on Control of Blood Glucose Level for Critically-ill Patients using In-silico Works

NASA Astrophysics Data System (ADS)

Yusof, N. F. M.; Som, A. M.; Ali, S. A.; Azman, N. H.

2018-05-01

This study was conducted to determine the effect of meal disturbance on blood glucose level of the critically ill patients and to simulate the control algorithm previously developed using in-silico works. The study is significant so as to reduce the mortality rate of critically ill patients who usually encounter hyperglycaemia or/and hypoglycaemia while in treatment. The meal intake is believed to affect the blood glucose regulation and causes the hyperglycaemia to occur. Critically ill patients receive their meal through parenteral and enteral nutrition. Furthermore, by using in-silico works, time consumed and resources needed for clinical evaluation of the patients can be reduced. Hovorka model was employed in which the simulation study was carried out using MATLAB on the virtual patient and it was being compared with actual patient in which the data were provided by Institut Jantung Negara (IJN). Based on the simulation, the disturbance on enteral glucose supplied had affected the blood glucose level of the patient; however, it remained unchanged for the parental glucose. To reduce the occurrence of hypoglycaemia and hyperglycaemia, the patient was injected with 30 g/hr and 10 g/hr of enteral glucose, respectively. In conclusion, the disturbance of meal received can be controlled through in-silico works.

Analysis of Aurora's Performance Simulation Engine for Three Systems

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

Freeman, Janine; Simon, Joseph

2015-07-07

Aurora Solar Inc. is building a cloud-based optimization platform to automate the design, engineering, and permit generation process of solar photovoltaic (PV) installations. They requested that the National Renewable Energy Laboratory (NREL) validate the performance of the PV system performance simulation engine of Aurora Solar’s solar design platform, Aurora. In previous work, NREL performed a validation of multiple other PV modeling tools 1, so this study builds upon that work by examining all of the same fixed-tilt systems with available module datasheets that NREL selected and used in the aforementioned study. Aurora Solar set up these three operating PV systemsmore » in their modeling platform using NREL-provided system specifications and concurrent weather data. NREL then verified the setup of these systems, ran the simulations, and compared the Aurora-predicted performance data to measured performance data for those three systems, as well as to performance data predicted by other PV modeling tools.« less

Energy Conservation and Conversion in NIMROD Computations of Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Maddox, J. A.; Sovinec, C. R.

2017-10-01

Previous work modeling magnetic relaxation during non-inductive start-up at the Pegasus spherical tokamak indicates an order of magnitude gap between measured experimental temperature and simulated temperature in NIMROD. Potential causes of the plasma temperature gap include: insufficient transport modeling, too low modeled injector power input, and numerical loss of energy, as energy is not algorithmically conserved in NIMROD simulations. Simple 2D nonlinear MHD simulations explore numerical energy conservation discrepancies in NIMROD because understanding numerical loss of energy is fundamental to addressing the physical problems of the other potential causes of energy loss. Evolution of these configurations induces magnetic reconnection, which transfers magnetic energy to heat and kinetic energy. The kinetic energy is eventually damped so, magnetic energy loss must correspond to an increase in internal energy. Results in the 2D geometries indicate that numerical energy loss during reconnection depends on the temporal resolution of the dynamics. Work support from U.S. Department of Energy through a subcontract from the Plasma Science and Innovation Center.

The EMIR experience in the use of software control simulators to speed up the time to telescope

NASA Astrophysics Data System (ADS)

Lopez Ramos, Pablo; López-Ruiz, J. C.; Moreno Arce, Heidy; Rosich, Josefina; Perez Menor, José Maria

2012-09-01

One of the main problems facing development teams working on instrument control systems consists on the need to access mechanisms which are not available until well into the integration phase. The need to work with real hardware creates additional problems like, among others: certain faults cannot be tested due to the possibility of hardware damage, taking the system to the limit may shorten its operational lifespan and the full system may not be available during some periods due to maintenance and/or testing of individual components. These problems can be treated with the use of simulators and by applying software/hardware standards. Since information on the construction and performance of electro-mechanical systems is available at relatively early stages of the project, simulators are developed in advance (before the existence of the mechanism) or, if conventions and standards have been correctly followed, a previously developed simulator might be used. This article describes our experience in building software simulators and the main advantages we have identified, which are: the control software can be developed even in the absence of real hardware, critical tests can be prepared using the simulated systems, test system behavior for hardware failure situations that represent a risk of the real system, and the speed up of in house integration of the entire instrument. The use of simulators allows us to reduce development, testing and integration time.

Coupling Landform Evolution and Soil Pedogenesis - Initial Results From the SSSPAM5D Model

NASA Astrophysics Data System (ADS)

Willgoose, G. R.; Welivitiya, W. D. D. P.; Hancock, G. R.; Cohen, S.

2015-12-01

Evolution of soil on a dynamic landform is a crucial next step in landscape evolution modelling. Some attempts have been taken such as MILESD by Vanwalleghem et al. to develop a first model which is capable of simultaneously evolving both the soil profile and the landform. In previous work we have presented physically based models for soil pedogenesis, mARM and SSSPAM. In this study we present the results of coupling a landform evolution model with our SSSPAM5D soil pedogenesis model. In previous work the SSSPAM5D soil evolution model was used to identify trends of the soil profile evolution on a static landform. Two pedogenetic processes, namely (1) armouring due to erosion, and (2) physical and chemical weathering were used in those simulations to evolve the soil profile. By incorporating elevation changes (due to erosion and deposition) we have advanced the SSSPAM5D modelling framework into the realm of landscape evolution. Simulations have been run using elevation and soil grading data of the engineered landform (spoil heap) at the Ranger Uranium Mine, Northern Territory, Australia. The results obtained for the coupled landform-soil evolution simulations predict the erosion of high slope areas, development of rudimentary channel networks in the landform and deposition of sediments in lowland areas, and qualitatively consistent with landform evolution models on their own. Examination of the soil profile characteristics revealed that hill crests are weathering dominated and tend to develop a thick soil layer. The steeper hillslopes at the edge of the landform are erosion dominated with shallow soils while the foot slopes are deposition dominated with thick soil layers. The simulation results of our coupled landform and soil evolution model provide qualitatively correct and timely characterization of the soil evolution on a dynamic landscape. Finally we will compare the characteristics of erosion and deposition predicted by the coupled landform-soil SSSPAM landscape simulator, with landform evolution simulations using a static soil.

Microstructure-sensitive small fatigue crack growth assessment. Effect of strain ratio multiaxial strain state and geometric discontinuities

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

Castelluccio, Gustavo M.; McDowell, David L.

Fatigue crack initiation in the high cycle fatigue regime is strongly influenced by microstructural features. Research efforts have usually focused on predicting fatigue resistance against crack incubation without considering the early fatigue crack growth after encountering the first grain boundary. However, a significant fraction of the variability of the total fatigue life can be attributed to growth of small cracks as they encounter the first few grain boundaries, rather than crack formation within the first grain. Our paper builds on the framework previously developed by the authors to assess microstructure-sensitive small fatigue crack formation and early growth under complex loadingmore » conditions. Moreover, the scheme employs finite element simulations that explicitly render grains and crystallographic directions along with simulation of microstructurally small fatigue crack growth from grain to grain. The methodology employs a crystal plasticity algorithm in ABAQUS that was previously calibrated to study fatigue crack initiation in RR1000 Ni-base superalloy. Our work present simulations with non-zero applied mean strains and geometric discontinuities that were not previously considered for calibration. Results exhibit trends similar to those found in experiments for multiple metallic materials, conveying a consistent physical description of fatigue damage phenomena.« less

Microstructure-sensitive small fatigue crack growth assessment. Effect of strain ratio multiaxial strain state and geometric discontinuities

DOE PAGES

Castelluccio, Gustavo M.; McDowell, David L.

2015-09-16

Fatigue crack initiation in the high cycle fatigue regime is strongly influenced by microstructural features. Research efforts have usually focused on predicting fatigue resistance against crack incubation without considering the early fatigue crack growth after encountering the first grain boundary. However, a significant fraction of the variability of the total fatigue life can be attributed to growth of small cracks as they encounter the first few grain boundaries, rather than crack formation within the first grain. Our paper builds on the framework previously developed by the authors to assess microstructure-sensitive small fatigue crack formation and early growth under complex loadingmore » conditions. Moreover, the scheme employs finite element simulations that explicitly render grains and crystallographic directions along with simulation of microstructurally small fatigue crack growth from grain to grain. The methodology employs a crystal plasticity algorithm in ABAQUS that was previously calibrated to study fatigue crack initiation in RR1000 Ni-base superalloy. Our work present simulations with non-zero applied mean strains and geometric discontinuities that were not previously considered for calibration. Results exhibit trends similar to those found in experiments for multiple metallic materials, conveying a consistent physical description of fatigue damage phenomena.« less

Fast Whole-Engine Stirling Analysis

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.; Wilson, Scott D.; Tew, Roy C.; Demko, Rikako

2005-01-01

An experimentally validated approach is described for fast axisymmetric Stirling engine simulations. These simulations include the entire displacer interior and demonstrate it is possible to model a complete engine cycle in less than an hour. The focus of this effort was to demonstrate it is possible to produce useful Stirling engine performance results in a time-frame short enough to impact design decisions. The combination of utilizing the latest 64-bit Opteron computer processors, fiber-optical Myrinet communications, dynamic meshing, and across zone partitioning has enabled solution times at least 240 times faster than previous attempts at simulating the axisymmetric Stirling engine. A comparison of the multidimensional results, calibrated one-dimensional results, and known experimental results is shown. This preliminary comparison demonstrates that axisymmetric simulations can be very accurate, but more work remains to improve the simulations through such means as modifying the thermal equilibrium regenerator models, adding fluid-structure interactions, including radiation effects, and incorporating mechanodynamics.

Fast Whole-Engine Stirling Analysis

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.; Wilson, Scott D.; Tew, Roy C.; Demko, Rikako

2007-01-01

An experimentally validated approach is described for fast axisymmetric Stirling engine simulations. These simulations include the entire displacer interior and demonstrate it is possible to model a complete engine cycle in less than an hour. The focus of this effort was to demonstrate it is possible to produce useful Stirling engine performance results in a time-frame short enough to impact design decisions. The combination of utilizing the latest 64-bit Opteron computer processors, fiber-optical Myrinet communications, dynamic meshing, and across zone partitioning has enabled solution times at least 240 times faster than previous attempts at simulating the axisymmetric Stirling engine. A comparison of the multidimensional results, calibrated one-dimensional results, and known experimental results is shown. This preliminary comparison demonstrates that axisymmetric simulations can be very accurate, but more work remains to improve the simulations through such means as modifying the thermal equilibrium regenerator models, adding fluid-structure interactions, including radiation effects, and incorporating mechanodynamics.

Guidance law simulation studies for complex approaches using the Microwave Landing System (MLS)

NASA Technical Reports Server (NTRS)

Feather, J. B.

1986-01-01

This report documents results for MLS guidance algorithm development conducted by DAC for NASA under the Advance Transport Operating Systems (ATOPS) Technology Studies program (NAS1-18028). The study consisted of evaluating guidance laws for vertical and lateral path control, as well as speed control, by simulating an MLS approach for the Washington National Airport. This work is an extension and generalization of a previous ATOPS contract (NAS1-16202) completed by DAC in 1985. The Washington river approach was simulated by six waypoints and one glideslope change and consisted of an eleven nautical mile approach path. Tracking performance was generated for 10 cases representing several different conditions, which included MLS noise, steady wind, turbulence, and windshear. Results of this simulation phase are suitable for use in future fixed-base simulator evaluations employing actual hardware (autopilot and a performance management system), as well as crew procedures and information requirements for MLS.

Simulating Activities: Relating Motives, Deliberation and Attentive Coordination

NASA Technical Reports Server (NTRS)

Clancey, William J.; Clancy, Daniel (Technical Monitor)

2002-01-01

Activities are located behaviors, taking time, conceived as socially meaningful, and usually involving interaction with tools and the environment. In modeling human cognition as a form of problem solving (goal-directed search and operator sequencing), cognitive science researchers have not adequately studied "off-task" activities (e.g., waiting), non-intellectual motives (e.g., hunger), sustaining a goal state (e.g., playful interaction), and coupled perceptual-motor dynamics (e.g., following someone). These aspects of human behavior have been considered in bits and pieces in past research, identified as scripts, human factors, behavior settings, ensemble, flow experience, and situated action. More broadly, activity theory provides a comprehensive framework relating motives, goals, and operations. This paper ties these ideas together, using examples from work life in a Canadian High Arctic research station. The emphasis is on simulating human behavior as it naturally occurs, such that "working" is understood as an aspect of living. The result is a synthesis of previously unrelated analytic perspectives and a broader appreciation of the nature of human cognition. Simulating activities in this comprehensive way is useful for understanding work practice, promoting learning, and designing better tools, including human-robot systems.

Simulation of the mechanical behavior of a HIP implant. Implant fixed to bone by cementation under arbitrary load

NASA Astrophysics Data System (ADS)

Oldani, C. R.; Dominguez, A. A.

2007-11-01

In a previous work a finite elements model was constructed to simulate a fatigue assay according to the norm IRAM 9422-3. Three materials were studied, two of them are the most used in this type of implant (Stainless steel 3161 and alloy T16A14V) and the third was a new developed titanium alloy (Ti35Nb7Zr5Ta). Static loads were applied to the model according to the highest requirements of the norm and the stress - strain distribution were determined. In this study a simplified analysis of the material's fatigue was done according to the previous work. The best behavior of the titanium alloys vs. the stainless steel was evident. With the objective of studying the behavior of both: the implant and the femur bone, new finite elements models were realized, in which the presence of the bone was considered. Inside the bone, the femoral component of the implant was placed in a similar way of a cemented prosthesis in a total hip arthroplasty. The advantage of the titanium implant related to the stainless steel one, was very clear.

UEDGE Simulations for Power and Particle Flow Analysis of FRC Rocket

NASA Astrophysics Data System (ADS)

Zheng, Fred; Evans, Eugene S.; McGreivy, Nick; Kaptanoglu, Alan; Izacard, Olivier; Cohen, Samuel A.

2017-10-01

The field-reversed configuration (FRC) is under consideration for use in a direct fusion drive (DFD) rocket propulsion system for future space missions. To achieve a rocket configuration, the FRC is embedded within an asymmetric magnetic mirror, in which one end is closed and contains a gas box, and the other end is open and incorporates a magnetic nozzle. Neutral deuterium is injected into the gas box, and flows through the scrape-off layer (SOL) around the core plasma and out the magnetic nozzle, both cooling the core and serving as propellant. Previous studies have examined a range of operating conditions for the SOL of a DFD using UEDGE, a 2D fluid code; discrepancies on the order of 5% were found during the analysis of overall power balance. This work extends the analysis of the previously-studied SOL geometry by updating boundary conditions and conducting a detailed study of power and particle flows within the simulation with the goals of modeling electrical power generation instead of thrust and achieving higher specific impulse. This work was supported, in part, by DOE Contract Number DE-AC02-09CH11466 and Princeton Environmental Institute.

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.

Nationwide Buildings Energy Research enabled through an integrated Data Intensive Scientific Workflow and Advanced Analysis Environment

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

Kleese van Dam, Kerstin; Lansing, Carina S.; Elsethagen, Todd O.

2014-01-28

Modern workflow systems enable scientists to run ensemble simulations at unprecedented scales and levels of complexity, allowing them to study system sizes previously impossible to achieve, due to the inherent resource requirements needed for the modeling work. However as a result of these new capabilities the science teams suddenly also face unprecedented data volumes that they are unable to analyze with their existing tools and methodologies in a timely fashion. In this paper we will describe the ongoing development work to create an integrated data intensive scientific workflow and analysis environment that offers researchers the ability to easily create andmore » execute complex simulation studies and provides them with different scalable methods to analyze the resulting data volumes. The integration of simulation and analysis environments is hereby not only a question of ease of use, but supports fundamental functions in the correlated analysis of simulation input, execution details and derived results for multi-variant, complex studies. To this end the team extended and integrated the existing capabilities of the Velo data management and analysis infrastructure, the MeDICi data intensive workflow system and RHIPE the R for Hadoop version of the well-known statistics package, as well as developing a new visual analytics interface for the result exploitation by multi-domain users. The capabilities of the new environment are demonstrated on a use case that focusses on the Pacific Northwest National Laboratory (PNNL) building energy team, showing how they were able to take their previously local scale simulations to a nationwide level by utilizing data intensive computing techniques not only for their modeling work, but also for the subsequent analysis of their modeling results. As part of the PNNL research initiative PRIMA (Platform for Regional Integrated Modeling and Analysis) the team performed an initial 3 year study of building energy demands for the US Eastern Interconnect domain, which they are now planning to extend to predict the demand for the complete century. The initial study raised their data demands from a few GBs to 400GB for the 3year study and expected tens of TBs for the full century.« less

New weather depiction technology for night vision goggle (NVG) training: 3D virtual/augmented reality scene-weather-atmosphere-target simulation

NASA Astrophysics Data System (ADS)

Folaron, Michelle; Deacutis, Martin; Hegarty, Jennifer; Vollmerhausen, Richard; Schroeder, John; Colby, Frank P.

2007-04-01

US Navy and Marine Corps pilots receive Night Vision Goggle (NVG) training as part of their overall training to maintain the superiority of our forces. This training must incorporate realistic targets; backgrounds; and representative atmospheric and weather effects they may encounter under operational conditions. An approach for pilot NVG training is to use the Night Imaging and Threat Evaluation Laboratory (NITE Lab) concept. The NITE Labs utilize a 10' by 10' static terrain model equipped with both natural and cultural lighting that are used to demonstrate various illumination conditions, and visual phenomena which might be experienced when utilizing night vision goggles. With this technology, the military can safely, systematically, and reliably expose pilots to the large number of potentially dangerous environmental conditions that will be experienced in their NVG training flights. A previous SPIE presentation described our work for NAVAIR to add realistic atmospheric and weather effects to the NVG NITE Lab training facility using the NVG - WDT(Weather Depiction Technology) system (Colby, et al.). NVG -WDT consist of a high end multiprocessor server with weather simulation software, and several fixed and goggle mounted Heads Up Displays (HUDs). Atmospheric and weather effects are simulated using state-of-the-art computer codes such as the WRF (Weather Research μ Forecasting) model; and the US Air Force Research Laboratory MODTRAN radiative transport model. Imagery for a variety of natural and man-made obscurations (e.g. rain, clouds, snow, dust, smoke, chemical releases) are being calculated and injected into the scene observed through the NVG via the fixed and goggle mounted HUDs. This paper expands on the work described in the previous presentation and will describe the 3D Virtual/Augmented Reality Scene - Weather - Atmosphere - Target Simulation part of the NVG - WDT. The 3D virtual reality software is a complete simulation system to generate realistic target - background scenes and display the results in a DirectX environment. This paper will describe our approach and show a brief demonstration of the software capabilities. The work is supported by the SBIR program under contract N61339-06-C-0113.

The Plasma Simulation Code: A modern particle-in-cell code with patch-based load-balancing

NASA Astrophysics Data System (ADS)

Germaschewski, Kai; Fox, William; Abbott, Stephen; Ahmadi, Narges; Maynard, Kristofor; Wang, Liang; Ruhl, Hartmut; Bhattacharjee, Amitava

2016-08-01

This work describes the Plasma Simulation Code (PSC), an explicit, electromagnetic particle-in-cell code with support for different order particle shape functions. We review the basic components of the particle-in-cell method as well as the computational architecture of the PSC code that allows support for modular algorithms and data structure in the code. We then describe and analyze in detail a distinguishing feature of PSC: patch-based load balancing using space-filling curves which is shown to lead to major efficiency gains over unbalanced methods and a previously used simpler balancing method.

Airborne asbestos exposures associated with gasket and packing replacement: a simulation study of flange and valve repair work and an assessment of exposure variables.

PubMed

Madl, Amy K; Devlin, Kathryn D; Perez, Angela L; Hollins, Dana M; Cowan, Dallas M; Scott, Paul K; White, Katherine; Cheng, Thales J; Henshaw, John L

2015-02-01

A simulation study was conducted to evaluate worker and area exposure to airborne asbestos associated with the replacement of asbestos-containing gaskets and packing materials from flanges and valves and assess the influence of several variables previously not investigated. Additionally, potential of take home exposures from clothing worn during the study was characterized. Our data showed that product type, ventilation type, gasket location, flange or bonnet size, number of flanges involved, surface characteristics, gasket surface adherence, and even activity type did not have a significant effect on worker exposures. Average worker asbestos exposures during flange gasket work (PCME=0.166 f/cc, 12-59 min) were similar to average worker asbestos exposures during valve overhaul work (PCME=0.165 f/cc, 7-76 min). Average 8-h TWA asbestos exposures were estimated to range from 0.010 to 0.062 f/cc. Handling clothes worn during gasket and packing replacement activities demonstrated exposures that were 0.71% (0.0009 f/cc 40-h TWA) of the airborne asbestos concentration experienced during the 5 days of the study. Despite the many variables considered in this study, exposures during gasket and packing replacement occur within a relatively narrow range, are below current and historical occupational exposure limits for asbestos, and are consistent with previously published data. Copyright © 2014 Elsevier Inc. All rights reserved.

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.

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

Chadwick, M. B.; Capote, R.; Trkov, A.

The CIELO collaboration has studied neutron cross sections on nuclides that significantly impact criticality in nuclear technologies - 16O, 56Fe, 235;8U and 239Pu - with the aim of improving the accuracy of the data and resolving previous discrepancies in our understanding. This multi-laboratory pilot project, coordinated via the OECD/NEA Working Party on Evaluation Cooperation (WPEC) Subgroup 40 with support also from the IAEA, has motivated experimental and theoretical work and led to suites of new evaluated libraries that accurately reflect measured data and also perform well in integral simulations of criticality.

VALIDITY OF HYDROSTATIC EQUILIBRIUM IN GALAXY CLUSTERS FROM COSMOLOGICAL HYDRODYNAMICAL SIMULATIONS

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

Suto, Daichi; Suto, Yasushi; Kawahara, Hajime

2013-04-10

We examine the validity of the hydrostatic equilibrium (HSE) assumption for galaxy clusters using one of the highest-resolution cosmological hydrodynamical simulations. We define and evaluate several effective mass terms corresponding to the Euler equations of gas dynamics, and quantify the degree of the validity of HSE in terms of the mass estimate. We find that the mass estimated under the HSE assumption (the HSE mass) deviates from the true mass by up to {approx}30%. This level of departure from HSE is consistent with the previous claims, but our physical interpretation is rather different. We demonstrate that the inertial term inmore » the Euler equations makes a negligible contribution to the total mass, and the overall gravity of the cluster is balanced by the thermal gas pressure gradient and the gas acceleration term. Indeed, the deviation from the HSE mass is well explained by the acceleration term at almost all radii. We also clarify the confusion of previous work due to the inappropriate application of the Jeans equations in considering the validity of HSE from the gas dynamics extracted from cosmological hydrodynamical simulations.« less

Stepwise and stagewise approaches for spatial cluster detection

PubMed Central

Xu, Jiale

2016-01-01

Spatial cluster detection is an important tool in many areas such as sociology, botany and public health. Previous work has mostly taken either hypothesis testing framework or Bayesian framework. In this paper, we propose a few approaches under a frequentist variable selection framework for spatial cluster detection. The forward stepwise methods search for multiple clusters by iteratively adding currently most likely cluster while adjusting for the effects of previously identified clusters. The stagewise methods also consist of a series of steps, but with tiny step size in each iteration. We study the features and performances of our proposed methods using simulations on idealized grids or real geographic area. From the simulations, we compare the performance of the proposed methods in terms of estimation accuracy and power of detections. These methods are applied to the the well-known New York leukemia data as well as Indiana poverty data. PMID:27246273

Stepwise and stagewise approaches for spatial cluster detection.

PubMed

Xu, Jiale; Gangnon, Ronald E

2016-05-01

Spatial cluster detection is an important tool in many areas such as sociology, botany and public health. Previous work has mostly taken either a hypothesis testing framework or a Bayesian framework. In this paper, we propose a few approaches under a frequentist variable selection framework for spatial cluster detection. The forward stepwise methods search for multiple clusters by iteratively adding currently most likely cluster while adjusting for the effects of previously identified clusters. The stagewise methods also consist of a series of steps, but with a tiny step size in each iteration. We study the features and performances of our proposed methods using simulations on idealized grids or real geographic areas. From the simulations, we compare the performance of the proposed methods in terms of estimation accuracy and power. These methods are applied to the the well-known New York leukemia data as well as Indiana poverty data. Copyright © 2016 Elsevier Ltd. All rights reserved.

Preliminary experimental investigation of an X-band Cerenkov-type high power microwave oscillator without guiding magnetic field.

PubMed

Guo, Liming; Shu, Ting; Li, Zhiqiang; Ju, Jinchuan; Fang, Xiaoting

2017-02-01

Among high power microwave (HPM) generators without guiding magnetic field, Cerenkov-type oscillator is expected to achieve a relatively high efficiency, which has already been realized in X-band in our previous simulation work. This paper presents the preliminary experimental investigations into an X-band Cerenkov-type HPM oscillator without guiding magnetic field. Based on the previous simulation structure, some modifications regarding diode structure were made. Different cathode structures and materials were tested in the experiments. By using a ring-shaped graphite cathode, microwave of about one hundred megawatt level was generated with a pure center frequency of 9.14 GHz, and an efficiency of about 1.3%. As analyzed in the paper, some practical issues reduce the efficiency in experiments, such as real features of the electron beam, probable breakdown regions on the cathode surface which can damage the diode, and so forth.

Simulating the Effects of Cross-Generational Cultural Transmission on Language Change

NASA Astrophysics Data System (ADS)

Gong, Tao; Shuai, Lan

Language evolves in a socio-cultural environment. Apart from biological evolution and individual learning, cultural transmission also casts important influence on many aspects of language evolution. In this paper, based on the lexicon-syntax coevolution model, we extend the acquisition framework in our previous work to examine the roles of three forms of cultural transmission spanning the offspring, parent, and grandparent generations in language change. These transmissions are: those between the parent and offspring generations (PO), those within the offspring generation (OO), and those between the grandparent and offspring generations (GO). The simulation results of the considered model and relevant analyses illustrate not only the necessity of PO and OO transmissions for language change, thus echoing our previous findings, but also the importance of GO transmission, a form of cross-generational cultural transmission, on preserving the mutual understandability of the communal language across generations of individuals.

Mechanical property studies of human gallstones.

PubMed

Stranne, S K; Cocks, F H; Gettliffe, R

1990-08-01

The recent development of gallstone fragmentation methods has increased the significance of the study of the mechanical properties of human gallstones. In the present work, fracture strength data and microhardness values of gallstones of various chemical compositions are presented as tested in both dry and simulated bile environments. Generally, both gallstone hardness and fracture strength values were significantly less than kidney stone values found in previous studies. However, a single calcium carbonate stone was found to have an outer shell hardness exceeding those values found for kidney stones. Diametral compression measurements in simulated bile conclusively demonstrated low gallstone fracture strength as well as brittle fracture in the stones tested. Based on the results of this study, one may conclude that the wide range of gallstone microhardnesses found may explain the reported difficulties previous investigators have experienced using various fragmentation techniques on specific gallstones. Moreover, gallstone mechanical properties may be relatively sensitive to bile-environment composition.

Enhanced thermoelectric performance of graphene nanoribbon-based devices

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

Hossain, Md Sharafat, E-mail: hossain@student.unimelb.edu.au; Huynh, Duc Hau; Nguyen, Phuong Duc

There have been numerous theoretical studies on exciting thermoelectric properties of graphene nano-ribbons (GNRs); however, most of these studies are mainly based on simulations. In this work, we measure and characterize the thermoelectric properties of GNRs and compare the results with theoretical predictions. Our experimental results verify that nano-structuring and patterning graphene into nano-ribbons significantly enhance its thermoelectric power, confirming previous predictions. Although patterning results in lower conductance (G), the overall power factor (S{sup 2}G) increases for nanoribbons. We demonstrate that edge roughness plays an important role in achieving such an enhanced performance and support it through first principles simulations.more » We show that uncontrolled edge roughness, which is considered detrimental in GNR-based electronic devices, leads to enhanced thermoelectric performance of GNR-based thermoelectric devices. The result validates previously reported theoretical studies of GNRs and demonstrates the potential of GNRs for the realization of highly efficient thermoelectric devices.« less

Simulation of automatic precision departures and missed approaches using the microwave landing system

NASA Technical Reports Server (NTRS)

Feather, J. B.

1987-01-01

Results of simulated precision departures and missed approaches using MLS guidance concepts are presented. The study was conducted under the Terminal Configured Vehicle (TCV) Program, and is an extension of previous work by DAC under the Advanced Transport Operating System (ATOPS) Technology Studies Program. The study model included simulation of an MD-80 aircraft, an autopilot, and a MLS guidance computer that provided lateral and vertical steering commands. Precision departures were evaluated using a noise abatement procedure. Several curved path departures were simulated with MLS noise and under various environmental conditions. Missed approaches were considered for the same runway, where lateral MLS guidance maintained the aircraft along the extended runway centerline. In both the departures and the missed approach cases, pitch autopilot takeoff and go-around modes of operation were used in conjunction with MLS lateral guidance.

The Resource Usage Aware Backfilling

NASA Astrophysics Data System (ADS)

Guim, Francesc; Rodero, Ivan; Corbalan, Julita

Job scheduling policies for HPC centers have been extensively studied in the last few years, especially backfilling based policies. Almost all of these studies have been done using simulation tools. All the existent simulators use the runtime (either estimated or real) provided in the workload as a basis of their simulations. In our previous work we analyzed the impact on system performance of considering the resource sharing (memory bandwidth) of running jobs including a new resource model in the Alvio simulator. Based on this studies we proposed the LessConsume and LessConsume Threshold resource selection policies. Both are oriented to reduce the saturation of the shared resources thus increasing the performance of the system. The results showed how both resource allocation policies shown how the performance of the system can be improved by considering where the jobs are finally allocated.

Laboratory evaluation and application of microwave absorption properties under simulated conditions for planetary atmospheres

NASA Technical Reports Server (NTRS)

Steffes, P. G.

1986-01-01

After long arduous work with the simulator, measurements of the refractivity and absorptivity of nitrogen under conditions similar to those for Titan were completed. The most significant measurements, however, were those of the microwave absorption from gaseous ammonia under simulated conditions for the Jovian atmospheres over wavelengths from 1.3 to 22 cm. The results of these measurements are critical in that they confirm the theoretical calculation of the ammonia opacity using the Ben-Reuven lineshape. The application of both these results, and results obtained previously, to planetary observations at microwave frequencies were especially rewarding. Applications of the results for ammonia to radio astronomical observations of Jupiter in the 1.3 to 20 cm wavelength range and the application of results for gaseous H2SO4 under simulated Venus conditions are discussed.

Resolved-particle simulation by the Physalis method: Enhancements and new capabilities

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

Sierakowski, Adam J., E-mail: sierakowski@jhu.edu; Prosperetti, Andrea; Faculty of Science and Technology and J.M. Burgers Centre for Fluid Dynamics, University of Twente, P.O. Box 217, 7500 AE Enschede

2016-03-15

We present enhancements and new capabilities of the Physalis method for simulating disperse multiphase flows using particle-resolved simulation. The current work enhances the previous method by incorporating a new type of pressure-Poisson solver that couples with a new Physalis particle pressure boundary condition scheme and a new particle interior treatment to significantly improve overall numerical efficiency. Further, we implement a more efficient method of calculating the Physalis scalar products and incorporate short-range particle interaction models. We provide validation and benchmarking for the Physalis method against experiments of a sedimenting particle and of normal wall collisions. We conclude with an illustrativemore » simulation of 2048 particles sedimenting in a duct. In the appendix, we present a complete and self-consistent description of the analytical development and numerical methods.« less

NASA One-Dimensional Combustor Simulation--User Manual for S1D_ML

NASA Technical Reports Server (NTRS)

Stueber, Thomas J.; Paxson, Daniel E.

2014-01-01

The work presented in this paper is to promote research leading to a closed-loop control system to actively suppress thermo-acoustic instabilities. To serve as a model for such a closed-loop control system, a one-dimensional combustor simulation composed using MATLAB software tools has been written. This MATLAB based process is similar to a precursor one-dimensional combustor simulation that was formatted as FORTRAN 77 source code. The previous simulation process requires modification to the FORTRAN 77 source code, compiling, and linking when creating a new combustor simulation executable file. The MATLAB based simulation does not require making changes to the source code, recompiling, or linking. Furthermore, the MATLAB based simulation can be run from script files within the MATLAB environment or with a compiled copy of the executable file running in the Command Prompt window without requiring a licensed copy of MATLAB. This report presents a general simulation overview. Details regarding how to setup and initiate a simulation are also presented. Finally, the post-processing section describes the two types of files created while running the simulation and it also includes simulation results for a default simulation included with the source code.

Zemax simulations describing collective effects in transition and diffraction radiation.

PubMed

Bisesto, F G; Castellano, M; Chiadroni, E; Cianchi, A

2018-02-19

Transition and diffraction radiation from charged particles is commonly used for diagnostics purposes in accelerator facilities as well as THz sources for spectroscopy applications. Therefore, an accurate analysis of the emission process and the transport optics is crucial to properly characterize the source and precisely retrieve beam parameters. In this regard, we have developed a new algorithm, based on Zemax, to simulate both transition and diffraction radiation as generated by relativistic electron bunches, therefore considering collective effects. In particular, unlike other previous works, we take into account electron beam physical size and transverse momentum, reproducing some effects visible on the produced radiation, not observable in a single electron analysis. The simulation results have been compared with two experiments showing an excellent agreement.

Verification of sub-grid filtered drag models for gas-particle fluidized beds with immersed cylinder arrays

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

Sarkar, Avik; Sun, Xin; Sundaresan, Sankaran

2014-04-23

The accuracy of coarse-grid multiphase CFD simulations of fluidized beds may be improved via the inclusion of filtered constitutive models. In our previous study (Sarkar et al., Chem. Eng. Sci., 104, 399-412), we developed such a set of filtered drag relationships for beds with immersed arrays of cooling tubes. Verification of these filtered drag models is addressed in this work. Predictions from coarse-grid simulations with the sub-grid filtered corrections are compared against accurate, highly-resolved simulations of full-scale turbulent and bubbling fluidized beds. The filtered drag models offer a computationally efficient yet accurate alternative for obtaining macroscopic predictions, but the spatialmore » resolution of meso-scale clustering heterogeneities is sacrificed.« less

Image Reconstruction for a Partially Collimated Whole Body PET Scanner

PubMed Central

Alessio, Adam M.; Schmitz, Ruth E.; MacDonald, Lawrence R.; Wollenweber, Scott D.; Stearns, Charles W.; Ross, Steven G.; Ganin, Alex; Lewellen, Thomas K.; Kinahan, Paul E.

2008-01-01

Partially collimated PET systems have less collimation than conventional 2-D systems and have been shown to offer count rate improvements over 2-D and 3-D systems. Despite this potential, previous efforts have not established image-based improvements with partial collimation and have not customized the reconstruction method for partially collimated data. This work presents an image reconstruction method tailored for partially collimated data. Simulated and measured sensitivity patterns are presented and provide a basis for modification of a fully 3-D reconstruction technique. The proposed method uses a measured normalization correction term to account for the unique sensitivity to true events. This work also proposes a modified scatter correction based on simulated data. Measured image quality data supports the use of the normalization correction term for true events, and suggests that the modified scatter correction is unnecessary. PMID:19096731

Image Reconstruction for a Partially Collimated Whole Body PET Scanner.

PubMed

Alessio, Adam M; Schmitz, Ruth E; Macdonald, Lawrence R; Wollenweber, Scott D; Stearns, Charles W; Ross, Steven G; Ganin, Alex; Lewellen, Thomas K; Kinahan, Paul E

2008-06-01

Partially collimated PET systems have less collimation than conventional 2-D systems and have been shown to offer count rate improvements over 2-D and 3-D systems. Despite this potential, previous efforts have not established image-based improvements with partial collimation and have not customized the reconstruction method for partially collimated data. This work presents an image reconstruction method tailored for partially collimated data. Simulated and measured sensitivity patterns are presented and provide a basis for modification of a fully 3-D reconstruction technique. The proposed method uses a measured normalization correction term to account for the unique sensitivity to true events. This work also proposes a modified scatter correction based on simulated data. Measured image quality data supports the use of the normalization correction term for true events, and suggests that the modified scatter correction is unnecessary.

Working memory capacity and fluid abilities: the more difficult the item, the more more is better.

PubMed

Little, Daniel R; Lewandowsky, Stephan; Craig, Stewart

2014-01-01

The relationship between fluid intelligence and working memory is of fundamental importance to understanding how capacity-limited structures such as working memory interact with inference abilities to determine intelligent behavior. Recent evidence has suggested that the relationship between a fluid abilities test, Raven's Progressive Matrices, and working memory capacity (WMC) may be invariant across difficulty levels of the Raven's items. We show that this invariance can only be observed if the overall correlation between Raven's and WMC is low. Simulations of Raven's performance revealed that as the overall correlation between Raven's and WMC increases, the item-wise point bi-serial correlations involving WMC are no longer constant but increase considerably with item difficulty. The simulation results were confirmed by two studies that used a composite measure of WMC, which yielded a higher correlation between WMC and Raven's than reported in previous studies. As expected, with the higher overall correlation, there was a significant positive relationship between Raven's item difficulty and the extent of the item-wise correlation with WMC.

The Late Integrated Sachs-Wolfe Effect and its detectability in galaxy-redshift surveys

NASA Astrophysics Data System (ADS)

Valencia-Díaz, D. R.; Muñoz-Cuartas, J. C.

2017-07-01

The late Integrated Sachs-Wolfe (ISW) effect is underwent by the Cosmic Microwave Background (CMB) photons due to the presence of the Large-Scale Structures (LSS) in an expanding Universe and can be measured through the temperature fluctuations of the CMB. In this work we use numerical simulations of structure formation to study the detectability of the ISW effect. Our method comprises the estimation of the density field through a Cloud-In-Cell mass assignment scheme. With the help of Fourier transforms we estimate the time derivative of the gravitational potential field in Fourier and in coordinate's space. Finally, this field is integrated numerically to know the ISW contribution. We study the time derivative of the potential in two approaches. First, an exact solution that makes use of the full velocity field. Second, a linear approximation related with the linear theory for the formation of LSS. We apply the method to three cosmological simulations. First, a box of 400 h-1 Mpc; second, the MultiDark1 simulation; third, the MultiDark-Plank simulation. For all cases we obtain coherent results with the expected in the literature for a ΛCDM cosmology: with the exact solution the temperature fluctuation is near the ± 30 μ K; the linear approximation shows a signal in the expected range of ± 20 μ K. This positive detection on simulations is important in order to know an expectation for the results we should obtain when working with observational data and will have important implications due to the lack of consensus about the detection of the ISW effect in previous works. Acknowledgements: This work was supported by Colciencias and Universidad de Antioquia, Convenio Beca-Pasantía Joven Investigador Convocatoria 645 de 2014.

Monte Carlo simulation for background study of geophysical inspection with cosmic-ray muons

NASA Astrophysics Data System (ADS)

Nishiyama, Ryuichi; Taketa, Akimichi; Miyamoto, Seigo; Kasahara, Katsuaki

2016-08-01

Several attempts have been made to obtain a radiographic image inside volcanoes using cosmic-ray muons (muography). Muography is expected to resolve highly heterogeneous density profiles near the surface of volcanoes. However, several prior works have failed to make clear observations due to contamination by background noise. The background contamination leads to an overestimation of the muon flux and consequently a significant underestimation of the density in the target mountains. To investigate the origin of the background noise, we performed a Monte Carlo simulation. The main components of the background noise in muography are found to be low-energy protons, electrons and muons in case of detectors without particle identification and with energy thresholds below 1 GeV. This result was confirmed by comparisons with actual observations of nuclear emulsions. This result will be useful for detector design in future works, and in addition some previous works of muography should be reviewed from the view point of background contamination.

The impact of leadership and team behavior on standard of care delivered during human patient simulation: a pilot study for undergraduate medical students.

PubMed

Carlson, Jim; Min, Elana; Bridges, Diane

2009-01-01

Methodology to train team behavior during simulation has received increased attention, but standard performance measures are lacking, especially at the undergraduate level. Our purposes were to develop a reliable team behavior measurement tool and explore the relationship between team behavior and the delivery of an appropriate standard of care specific to the simulated case. Authors developed a unique team measurement tool based on previous work. Trainees participated in a simulated event involving the presentation of acute dyspnea. Performance was rated by separate raters using the team behavior measurement tool. Interrater reliability was assessed. The relationship between team behavior and the standard of care delivered was explored. The instrument proved to be reliable for this case and group of raters. Team behaviors had a positive relationship with the standard of medical care delivered specific to the simulated case. The methods used provide a possible method for training and assessing team performance during simulation.

Optimization of Simplex Atomizer Inlet Port Configuration through Computational Fluid Dynamics and Experimental Study for Aero-Gas Turbine Applications

NASA Astrophysics Data System (ADS)

Marudhappan, Raja; Chandrasekhar, Udayagiri; Hemachandra Reddy, Koni

2017-10-01

The design of plain orifice simplex atomizer for use in the annular combustion system of 1100 kW turbo shaft engine is optimized. The discrete flow field of jet fuel inside the swirl chamber of the atomizer and up to 1.0 mm downstream of the atomizer exit are simulated using commercial Computational Fluid Dynamics (CFD) software. The Euler-Euler multiphase model is used to solve two sets of momentum equations for liquid and gaseous phases and the volume fraction of each phase is tracked throughout the computational domain. The atomizer design is optimized after performing several 2D axis symmetric analyses with swirl and the optimized inlet port design parameters are used for 3D simulation. The Volume Of Fluid (VOF) multiphase model is used in the simulation. The orifice exit diameter is 0.6 mm. The atomizer is fabricated with the optimized geometric parameters. The performance of the atomizer is tested in the laboratory. The experimental observations are compared with the results obtained from 2D and 3D CFD simulations. The simulated velocity components, pressure field, streamlines and air core dynamics along the atomizer axis are compared to previous research works and found satisfactory. The work has led to a novel approach in the design of pressure swirl atomizer.

Modeling Effects of RNA on Capsid Assembly Pathways via Coarse-Grained Stochastic Simulation

PubMed Central

Smith, Gregory R.; Xie, Lu; Schwartz, Russell

2016-01-01

The environment of a living cell is vastly different from that of an in vitro reaction system, an issue that presents great challenges to the use of in vitro models, or computer simulations based on them, for understanding biochemistry in vivo. Virus capsids make an excellent model system for such questions because they typically have few distinct components, making them amenable to in vitro and modeling studies, yet their assembly can involve complex networks of possible reactions that cannot be resolved in detail by any current experimental technology. We previously fit kinetic simulation parameters to bulk in vitro assembly data to yield a close match between simulated and real data, and then used the simulations to study features of assembly that cannot be monitored experimentally. The present work seeks to project how assembly in these simulations fit to in vitro data would be altered by computationally adding features of the cellular environment to the system, specifically the presence of nucleic acid about which many capsids assemble. The major challenge of such work is computational: simulating fine-scale assembly pathways on the scale and in the parameter domains of real viruses is far too computationally costly to allow for explicit models of nucleic acid interaction. We bypass that limitation by applying analytical models of nucleic acid effects to adjust kinetic rate parameters learned from in vitro data to see how these adjustments, singly or in combination, might affect fine-scale assembly progress. The resulting simulations exhibit surprising behavioral complexity, with distinct effects often acting synergistically to drive efficient assembly and alter pathways relative to the in vitro model. The work demonstrates how computer simulations can help us understand how assembly might differ between the in vitro and in vivo environments and what features of the cellular environment account for these differences. PMID:27244559

Validation of nonlinear gyrokinetic simulations of L- and I-mode plasmas on Alcator C-Mod

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

Creely, A. J.; Howard, N. T.; Rodriguez-Fernandez, P.

New validation of global, nonlinear, ion-scale gyrokinetic simulations (GYRO) is carried out for L- and I-mode plasmas on Alcator C-Mod, utilizing heat fluxes, profile stiffness, and temperature fluctuations. Previous work at C-Mod found that ITG/TEM-scale GYRO simulations can match both electron and ion heat fluxes within error bars in I-mode [White PoP 2015], suggesting that multi-scale (cross-scale coupling) effects [Howard PoP 2016] may be less important in I-mode than in L-mode. New results presented here, however, show that global, nonlinear, ion-scale GYRO simulations are able to match the experimental ion heat flux, but underpredict electron heat flux (at most radii),more » electron temperature fluctuations, and perturbative thermal diffusivity in both L- and I-mode. Linear addition of electron heat flux from electron scale runs does not resolve this discrepancy. These results indicate that single-scale simulations do not sufficiently describe the I-mode core transport, and that multi-scale (coupled electron- and ion-scale) transport models are needed. In conclusion a preliminary investigation with multi-scale TGLF, however, was unable to resolve the discrepancy between ion-scale GYRO and experimental electron heat fluxes and perturbative diffusivity, motivating further work with multi-scale GYRO simulations and a more comprehensive study with multi-scale TGLF.« less

Impact of Neutrino Opacities on Core-collapse Supernova Simulations

NASA Astrophysics Data System (ADS)

Kotake, Kei; Takiwaki, Tomoya; Fischer, Tobias; Nakamura, Ko; Martínez-Pinedo, Gabriel

2018-02-01

The accurate description of neutrino opacities is central to both the core-collapse supernova (CCSN) phenomenon and the validity of the explosion mechanism itself. In this work, we study in a systematic fashion the role of a variety of well-selected neutrino opacities in CCSN simulations where the multi-energy, three-flavor neutrino transport is solved using the isotropic diffusion source approximation (IDSA) scheme. To verify our code, we first present results from one-dimensional (1D) simulations following the core collapse, bounce, and ∼250 ms postbounce of a 15 {M}ȯ star using a standard set of neutrino opacities by Bruenn. A detailed comparison with published results supports the reliability of our three-flavor IDSA scheme using the standard opacity set. We then investigate in 1D simulations how individual opacity updates lead to differences with the baseline run with the standard opacity set. Through detailed comparisons with previous work, we check the validity of our implementation of each update in a step-by-step manner. Individual neutrino opacities with the largest impact on the overall evolution in 1D simulations are selected for systematic comparisons in our two-dimensional (2D) simulations. Special attention is given to the criterion of explodability in the 2D models. We discuss the implications of these results as well as its limitations and the requirements for future, more elaborate CCSN modeling.

NIMROD Simulations of Spheromak Formation, Magnetic Reconnection and Energy Confinement in SSPX

NASA Astrophysics Data System (ADS)

Hooper, E. B.; Sovinec, C. R.

2005-10-01

The SSPX spheromak is formed and driven by a coaxial electrostatic gun that injects current and magnetic flux. Magnetic fluctuations are associated with the conversion of toroidal to poloidal magnetic flux during formation. After formation, fluctuations that break axisymmetry degrade magnetic surfaces, and are anti-correlated with the core temperature and energy confinement time. We report NIMROD simulations extending earlier work^1 supporting the SSPX experiment through predictions of performance and providing insight. The simulations are in fairly good agreement with features observed in SSPX and underscore the importance of current profile control in mitigating magnetic fluctuation amplitudes and improving confinement. The simulations yield insight into magnetic reconnection and the relationship of fluctuations to field line stochasticity. We have added external circuit equations for the new 32 module capacitor bank in SSPX that will add flexibility in shaping the injector current pulses and substantially increase the injected currents and the magnetic energy. New NIMROD simulations of SSPX lead to higher temperature plasmas than in previous simulations. *Work supported by U.S. DOE, under Contr. No. W-7405-ENG-48 at U. Cal. LLNL and under grant FG02-01ER54661 at U. Wisc Madison. ^1C. R. Sovinec, B. I. Cohen, et al., Phys. Rev. Lett. 94, 035003 (2005); B. I. Cohen, E. B. Hooper, et al., Phys. Plasmas 12, 056106 (2005).

Identification of Rare Lewis Oligosaccharide Conformers in Aqueous Solution Using Enhanced Sampling Molecular Dynamics.

PubMed

Alibay, Irfan; Burusco, Kepa K; Bruce, Neil J; Bryce, Richard A

2018-03-08

Determining the conformations accessible to carbohydrate ligands in aqueous solution is important for understanding their biological action. In this work, we evaluate the conformational free-energy surfaces of Lewis oligosaccharides in explicit aqueous solvent using a multidimensional variant of the swarm-enhanced sampling molecular dynamics (msesMD) method; we compare with multi-microsecond unbiased MD simulations, umbrella sampling, and accelerated MD approaches. For the sialyl Lewis A tetrasaccharide, msesMD simulations in aqueous solution predict conformer landscapes in general agreement with the other biased methods and with triplicate unbiased 10 μs trajectories; these simulations find a predominance of closed conformer and a range of low-occupancy open forms. The msesMD simulations also suggest closed-to-open transitions in the tetrasaccharide are facilitated by changes in ring puckering of its GlcNAc residue away from the 4 C 1 form, in line with previous work. For sialyl Lewis X tetrasaccharide, msesMD simulations predict a minor population of an open form in solution corresponding to a rare lectin-bound pose observed crystallographically. Overall, from comparison with biased MD calculations, we find that triplicate 10 μs unbiased MD simulations may not be enough to fully sample glycan conformations in aqueous solution. However, the computational efficiency and intuitive approach of the msesMD method suggest potential for its application in glycomics as a tool for analysis of oligosaccharide conformation.

Validation of nonlinear gyrokinetic simulations of L- and I-mode plasmas on Alcator C-Mod

DOE PAGES

Creely, A. J.; Howard, N. T.; Rodriguez-Fernandez, P.; ...

2017-03-02

New validation of global, nonlinear, ion-scale gyrokinetic simulations (GYRO) is carried out for L- and I-mode plasmas on Alcator C-Mod, utilizing heat fluxes, profile stiffness, and temperature fluctuations. Previous work at C-Mod found that ITG/TEM-scale GYRO simulations can match both electron and ion heat fluxes within error bars in I-mode [White PoP 2015], suggesting that multi-scale (cross-scale coupling) effects [Howard PoP 2016] may be less important in I-mode than in L-mode. New results presented here, however, show that global, nonlinear, ion-scale GYRO simulations are able to match the experimental ion heat flux, but underpredict electron heat flux (at most radii),more » electron temperature fluctuations, and perturbative thermal diffusivity in both L- and I-mode. Linear addition of electron heat flux from electron scale runs does not resolve this discrepancy. These results indicate that single-scale simulations do not sufficiently describe the I-mode core transport, and that multi-scale (coupled electron- and ion-scale) transport models are needed. In conclusion a preliminary investigation with multi-scale TGLF, however, was unable to resolve the discrepancy between ion-scale GYRO and experimental electron heat fluxes and perturbative diffusivity, motivating further work with multi-scale GYRO simulations and a more comprehensive study with multi-scale TGLF.« less

Dynamic Stall Patterns

NASA Astrophysics Data System (ADS)

Davidson, Phillip; Babbitt, Ashli; Magstadt, Andrew; Nikoueeyan, Pourya; Naughton, Jonathan; Jonathan Naughton Team

2014-11-01

The performance of helicopter and wind turbine blades is affected by dynamic stall. Dynamic stall has received considerable attention, but it is still difficult to simulate and not fully understood. Over the past seven years, many airfoils for helicopter and wind turbine use ranging from 9.5 to 30% thick have been experimentally tested and simulated while dynamically pitching to further characterize dynamic stall. Tests have been run at chord Reynolds number between 225,000-440,000 for various reduced frequencies, mean angles of attack, and oscillation amplitudes. Characterization of stall has been accomplished using data from previous studies as well as the unsteady pressure and flow-field data available from our own work. Where available, combined surface and flow-field data allow for clear identification of the types of stall observed and the flow structure associated with them. The results indicate that thin airfoil stall, leading edge stall, and trailing edge stall are observed in the oscillating airfoil experiments and simulations. These three main stall types are further divided into subcategories. By improving our understanding of the features of dynamic stall, it is expected that physics-based simulations can be improved. Work supported by DOE and a gift from BP.

Cyclotron resonant scattering feature simulations. II. Description of the CRSF simulation process

NASA Astrophysics Data System (ADS)

Schwarm, F.-W.; Ballhausen, R.; Falkner, S.; Schönherr, G.; Pottschmidt, K.; Wolff, M. T.; Becker, P. A.; Fürst, F.; Marcu-Cheatham, D. M.; Hemphill, P. B.; Sokolova-Lapa, E.; Dauser, T.; Klochkov, D.; Ferrigno, C.; Wilms, J.

2017-05-01

Context. Cyclotron resonant scattering features (CRSFs) are formed by scattering of X-ray photons off quantized plasma electrons in the strong magnetic field (of the order 1012 G) close to the surface of an accreting X-ray pulsar. Due to the complex scattering cross-sections, the line profiles of CRSFs cannot be described by an analytic expression. Numerical methods, such as Monte Carlo (MC) simulations of the scattering processes, are required in order to predict precise line shapes for a given physical setup, which can be compared to observations to gain information about the underlying physics in these systems. Aims: A versatile simulation code is needed for the generation of synthetic cyclotron lines. Sophisticated geometries should be investigatable by making their simulation possible for the first time. Methods: The simulation utilizes the mean free path tables described in the first paper of this series for the fast interpolation of propagation lengths. The code is parallelized to make the very time-consuming simulations possible on convenient time scales. Furthermore, it can generate responses to monoenergetic photon injections, producing Green's functions, which can be used later to generate spectra for arbitrary continua. Results: We develop a new simulation code to generate synthetic cyclotron lines for complex scenarios, allowing for unprecedented physical interpretation of the observed data. An associated XSPEC model implementation is used to fit synthetic line profiles to NuSTAR data of Cep X-4. The code has been developed with the main goal of overcoming previous geometrical constraints in MC simulations of CRSFs. By applying this code also to more simple, classic geometries used in previous works, we furthermore address issues of code verification and cross-comparison of various models. The XSPEC model and the Green's function tables are available online (see link in footnote, page 1).

Feasibility Assessment of CO2 Sequestration and Enhanced Recovery in Gas Shale Reservoirs

NASA Astrophysics Data System (ADS)

Vermylen, J. P.; Hagin, P. N.; Zoback, M. D.

2008-12-01

CO2 sequestration and enhanced methane recovery may be feasible in unconventional, organic-rich, gas shale reservoirs in which the methane is stored as an adsorbed phase. Previous studies have shown that organic-rich, Appalachian Devonian shales adsorb approximately five times more carbon dioxide than methane at reservoir conditions. However, the enhanced recovery and sequestration concept has not yet been tested for gas shale reservoirs under realistic flow and production conditions. Using the lessons learned from previous studies on enhanced coalbed methane (ECBM) as a starting point, we are conducting laboratory experiments, reservoir modeling, and fluid flow simulations to test the feasibility of sequestration and enhanced recovery in gas shales. Our laboratory work investigates both adsorption and mechanical properties of shale samples to use as inputs for fluid flow simulation. Static and dynamic mechanical properties of shale samples are measured using a triaxial press under realistic reservoir conditions with varying gas saturations and compositions. Adsorption is simultaneously measured using standard, static, volumetric techniques. Permeability is measured using pulse decay methods calibrated to standard Darcy flow measurements. Fluid flow simulations are conducted using the reservoir simulator GEM that has successfully modeled enhanced recovery in coal. The results of the flow simulation are combined with the laboratory results to determine if enhanced recovery and CO2 sequestration is feasible in gas shale reservoirs.

A simulation study of homogeneous ice nucleation in supercooled salty water

NASA Astrophysics Data System (ADS)

Soria, Guiomar D.; Espinosa, Jorge R.; Ramirez, Jorge; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

2018-06-01

We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.

Effect of transverse magnetic fields on a simulated in-line 6 MV linac

NASA Astrophysics Data System (ADS)

St. Aubin, J.; Steciw, S.; Fallone, B. G.

2010-08-01

The effects of a transverse magnetic field on an in-line side-coupled 6 MV linear accelerator are given. The results are directly applicable to a linac-MR system used for real-time image guided adaptive radiotherapy. Our previously designed end-to-end linac simulation incorporated the results from the axisymmetric 2D electron gun program EGN2w. However, since the magnetic fields being investigated are non-axisymmetric in nature for the work presented here, the electron gun simulation was performed using OPERA-3d/SCALA. The simulation results from OPERA-3d/SCALA showed excellent agreement with previous results. Upon the addition of external magnetic fields to our fully 3D linac simulation, it was found that a transverse magnetic field of 6 G resulted in a 45 ± 1% beam loss, and by 14 G, no electrons were incident on the target. Transverse magnetic fields on the linac simulation produced a highly asymmetric focal spot at the target, which translated into a 13% profile asymmetry at 6 G. Upon translating the focal spot with respect to the target coordinates, profile symmetry was regained at the expense of a lateral shift in the dose profiles. It was found that all points in the penumbra failed a 1%/1 mm acceptance criterion for fields between 4 and 6 G. However, it was also found that the lateral profile shifts were corrected by adjusting the jaw positions asymmetrically.

A simulation study of homogeneous ice nucleation in supercooled salty water.

PubMed

Soria, Guiomar D; Espinosa, Jorge R; Ramirez, Jorge; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

2018-06-14

We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.

Agent-based model for rural-urban migration: A dynamic consideration

NASA Astrophysics Data System (ADS)

Cai, Ning; Ma, Hai-Ying; Khan, M. Junaid

2015-10-01

This paper develops a dynamic agent-based model for rural-urban migration, based on the previous relevant works. The model conforms to the typical dynamic linear multi-agent systems model concerned extensively in systems science, in which the communication network is formulated as a digraph. Simulations reveal that consensus of certain variable could be harmful to the overall stability and should be avoided.

Three region steam drum model for a nuclear power plant simulator (BRENDA). Technical report 1 Oct 80-May 81. [LMFBR

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

Slovik, G.C.

1981-08-01

A new three region steam drum model has been developed. This model differs from previous works for it assumes the existence of three regions within the steam drum: a steam region, a mid region (assumed to be under saturation conditions at steady state), and a bottom region (having a mixed mean subcooled enthalpy).

Simulating the universe(s) III: observables for the full bubble collision spacetime

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

Johnson, Matthew C.; Perimeter Institute for Theoretical Physics, Waterloo, Ontario N2L 2Y5; Wainwright, Carroll L.

2016-07-14

This is the third paper in a series establishing a quantitative relation between inflationary scalar field potential landscapes and the relic perturbations left by the collision between bubbles produced during eternal inflation. We introduce a new method for computing cosmological observables from numerical relativity simulations of bubble collisions in one space and one time dimension. This method tiles comoving hypersurfaces with locally-perturbed Friedmann-Robertson-Walker coordinate patches. The method extends previous work, which was limited to the spacetime region just inside the future light cone of the collision, and allows us to explore the full bubble-collision spacetime. We validate our new methodsmore » against previous work, and present a full set of predictions for the comoving curvature perturbation and local negative spatial curvature produced by identical and non-identical bubble collisions, in single scalar field models of eternal inflation. In both collision types, there is a non-zero contribution to the spatial curvature and cosmic microwave background quadrupole. Some collisions between non-identical bubbles excite wall modes, giving extra structure to the predicted temperature anisotropies. We comment on the implications of our results for future observational searches. For non-identical bubble collisions, we also find that the surfaces of constant field can readjust in the presence of a collision to produce spatially infinite sections that become nearly homogeneous deep into the region affected by the collision. Contrary to previous assumptions, this is true even in the bubble into which the domain wall is accelerating.« less

Simulating the universe(s) III: observables for the full bubble collision spacetime

NASA Astrophysics Data System (ADS)

Johnson, Matthew C.; Wainwright, Carroll L.; Aguirre, Anthony; Peiris, Hiranya V.

2016-07-01

This is the third paper in a series establishing a quantitative relation between inflationary scalar field potential landscapes and the relic perturbations left by the collision between bubbles produced during eternal inflation. We introduce a new method for computing cosmological observables from numerical relativity simulations of bubble collisions in one space and one time dimension. This method tiles comoving hypersurfaces with locally-perturbed Friedmann-Robertson-Walker coordinate patches. The method extends previous work, which was limited to the spacetime region just inside the future light cone of the collision, and allows us to explore the full bubble-collision spacetime. We validate our new methods against previous work, and present a full set of predictions for the comoving curvature perturbation and local negative spatial curvature produced by identical and non-identical bubble collisions, in single scalar field models of eternal inflation. In both collision types, there is a non-zero contribution to the spatial curvature and cosmic microwave background quadrupole. Some collisions between non-identical bubbles excite wall modes, giving extra structure to the predicted temperature anisotropies. We comment on the implications of our results for future observational searches. For non-identical bubble collisions, we also find that the surfaces of constant field can readjust in the presence of a collision to produce spatially infinite sections that become nearly homogeneous deep into the region affected by the collision. Contrary to previous assumptions, this is true even in the bubble into which the domain wall is accelerating.

Simulation of the Effect of Different Presbyopia-Correcting Intraocular Lenses With Eyes With Previous Laser Refractive Surgery.

PubMed

Camps, Vicente J; Miret, Juan J; García, Celia; Tolosa, Angel; Piñero, David P

2018-04-01

To simulate the optical performance of three presbyopia-correcting intraocular lenses (IOLs) implanted in eyes with previous laser refractive surgery. A simulation of the through-focus modulation transfer function (MTF) was performed for three presbyopia-correcting IOLs (Mplus, Oculentis GmbH, Berlin, Germany; Symfony, Johnson & Johnson Vision, Santa Ana, CA; and Mini Well, SIFI S.p.A., Lavinaio, Italy) in one eye with previous myopic LASIK and another with hyperopic LASIK. Real topographic data and the wavefront aberration profile of each IOL obtained with a Hartmann-Shack sensor were used. In the eye with myopic LASIK, all IOLs lost optical quality at near and intermediate distances for 4- and 4.7-mm pupil size. For 3-mm pupil size, the Mini Well IOL showed the best intermediate and near MTF and maintained the far focus independently of the pupil. In the eye with hyperopic LASIK, the Mini Well IOL showed an intermediate, distance, and -4.00-diopter (D) foci for all pupils. The Symfony IOL showed a depth of focus at far and intermediate distance for 3-mm and a focus at -2.50 D in the rest. The Mplus showed a focus of -4.50 and -3.00 D for the 3- and 4-mm pupil, respectively. The Mini Well and Symfony IOLs seem to work better than the Mplus IOL in eyes with previous myopic LASIK. With previous hyperopic LASIK, the Mini Well IOL seems to be able to provide acceptable near, intermediate, and far foci for all pupil sizes. These findings should be confirmed in future clinical studies. [J Refract Surg. 2018;34(4):222-227.]. Copyright 2018, SLACK Incorporated.

Ghosts in the machine: memory interference from the previous trial.

PubMed

Papadimitriou, Charalampos; Ferdoash, Afreen; Snyder, Lawrence H

2015-01-15

Previous memoranda can interfere with the memorization or storage of new information, a concept known as proactive interference. Studies of proactive interference typically use categorical memoranda and match-to-sample tasks with categorical measures such as the proportion of correct to incorrect responses. In this study we instead train five macaques in a spatial memory task with continuous memoranda and responses, allowing us to more finely probe working memory circuits. We first ask whether the memoranda from the previous trial result in proactive interference in an oculomotor delayed response task. We then characterize the spatial and temporal profile of this interference and ask whether this profile can be predicted by an attractor network model of working memory. We find that memory in the current trial shows a bias toward the location of the memorandum of the previous trial. The magnitude of this bias increases with the duration of the memory period within which it is measured. Our simulations using standard attractor network models of working memory show that these models easily replicate the spatial profile of the bias. However, unlike the behavioral findings, these attractor models show an increase in bias with the duration of the previous rather than the current memory period. To model a bias that increases with current trial duration we posit two separate memory stores, a rapidly decaying visual store that resists proactive interference effects and a sustained memory store that is susceptible to proactive interference. Copyright © 2015 the American Physiological Society.

Ghosts in the machine: memory interference from the previous trial

PubMed Central

Ferdoash, Afreen; Snyder, Lawrence H.

2014-01-01

Previous memoranda can interfere with the memorization or storage of new information, a concept known as proactive interference. Studies of proactive interference typically use categorical memoranda and match-to-sample tasks with categorical measures such as the proportion of correct to incorrect responses. In this study we instead train five macaques in a spatial memory task with continuous memoranda and responses, allowing us to more finely probe working memory circuits. We first ask whether the memoranda from the previous trial result in proactive interference in an oculomotor delayed response task. We then characterize the spatial and temporal profile of this interference and ask whether this profile can be predicted by an attractor network model of working memory. We find that memory in the current trial shows a bias toward the location of the memorandum of the previous trial. The magnitude of this bias increases with the duration of the memory period within which it is measured. Our simulations using standard attractor network models of working memory show that these models easily replicate the spatial profile of the bias. However, unlike the behavioral findings, these attractor models show an increase in bias with the duration of the previous rather than the current memory period. To model a bias that increases with current trial duration we posit two separate memory stores, a rapidly decaying visual store that resists proactive interference effects and a sustained memory store that is susceptible to proactive interference. PMID:25376781

Comparisons of Anvil Cirrus Spatial Characteristics between Airborne Observations in DC3 Campaign and WRF Simulations

NASA Astrophysics Data System (ADS)

D'Alessandro, J.; Diao, M.; Chen, M.

2015-12-01

John D'Alessandro1, Minghui Diao1, Ming Chen2, George Bryan2, Hugh Morrison21. Department of Meteorology and Climate Science, San Jose State University2. Mesoscale & Microscale Meteorology Division, National Center for Atmospheric Research, Boulder, CO, 80301 Ice crystal formation requires the prerequisite condition of ice supersaturation, i.e., relative humidity with respect to ice (RHi) greater than 100%. The formation and evolution of ice supersaturated regions (ISSRs) has large impact on the subsequent formation of ice clouds. To examine the characteristics of simulated ice supersaturated regions at various model spatial resolutions, case studies between airborne in-situ measurements in the NSF Deep Convective, Clouds and Chemistry (DC3) campaign (May - June 2012) and WRF simulations are conducted in this work. Recent studies using ~200 m in-situ observations showed that ice supersaturated regions are mostly around 1 km in horizontal scale (Diao et al. 2014). Yet it is still unclear if such observed characteristics can be represented by WRF simulations at various spatial resolutions. In this work, we compare the WRF simulated anvil cirrus spatial characteristics with those observed in the DC3 campaign over the southern great plains in US. The WRF model is run at 1 km and 3 km horizontal grid spacing with a recent update of Thompson microphysics scheme. Our comparisons focus on the spatial characteristics of ISSRs and cirrus clouds, including the distributions of their horizontal scales, the maximum relative humidity with respect to ice (RHi) and the relationship between RHi and temperature. Our previous work on the NCAR CM1 cloud-resolving model shows that the higher resolution runs (i.e., 250m and 1km) generally have better agreement with observations than the coarser resolution (4km) runs. We will examine if similar trend exists for WRF simulations in deep convection cases. In addition, we will compare the simulation results between WRF and CM1, particularly for spatial correlations between ISSRs and cirrus and their evolution (based on the method of Diao et al. 2013). Overall, our work will help to assess the representation of ISSRs and cirrus in WRF simulation based on comparisons with in-situ observations.

Visualization of simulated urban spaces: inferring parameterized generation of streets, parcels, and aerial imagery.

PubMed

Vanegas, Carlos A; Aliaga, Daniel G; Benes, Bedrich; Waddell, Paul

2009-01-01

Urban simulation models and their visualization are used to help regional planning agencies evaluate alternative transportation investments, land use regulations, and environmental protection policies. Typical urban simulations provide spatially distributed data about number of inhabitants, land prices, traffic, and other variables. In this article, we build on a synergy of urban simulation, urban visualization, and computer graphics to automatically infer an urban layout for any time step of the simulation sequence. In addition to standard visualization tools, our method gathers data of the original street network, parcels, and aerial imagery and uses the available simulation results to infer changes to the original urban layout and produce a new and plausible layout for the simulation results. In contrast with previous work, our approach automatically updates the layout based on changes in the simulation data and thus can scale to a large simulation over many years. The method in this article offers a substantial step forward in building integrated visualization and behavioral simulation systems for use in community visioning, planning, and policy analysis. We demonstrate our method on several real cases using a 200 GB database for a 16,300 km2 area surrounding Seattle.

Accelerating 3D Hall MHD Magnetosphere Simulations with Graphics Processing Units

NASA Astrophysics Data System (ADS)

Bard, C.; Dorelli, J.

2017-12-01

The resolution required to simulate planetary magnetospheres with Hall magnetohydrodynamics result in program sizes approaching several hundred million grid cells. These would take years to run on a single computational core and require hundreds or thousands of computational cores to complete in a reasonable time. However, this requires access to the largest supercomputers. Graphics processing units (GPUs) provide a viable alternative: one GPU can do the work of roughly 100 cores, bringing Hall MHD simulations of Ganymede within reach of modest GPU clusters ( 8 GPUs). We report our progress in developing a GPU-accelerated, three-dimensional Hall magnetohydrodynamic code and present Hall MHD simulation results for both Ganymede (run on 8 GPUs) and Mercury (56 GPUs). We benchmark our Ganymede simulation with previous results for the Galileo G8 flyby, namely that adding the Hall term to ideal MHD simulations changes the global convection pattern within the magnetosphere. Additionally, we present new results for the G1 flyby as well as initial results from Hall MHD simulations of Mercury and compare them with the corresponding ideal MHD runs.

Physics-based agent to simulant correlations for vapor phase mass transport.

PubMed

Willis, Matthew P; Varady, Mark J; Pearl, Thomas P; Fouse, Janet C; Riley, Patrick C; Mantooth, Brent A; Lalain, Teri A

2013-12-15

Chemical warfare agent simulants are often used as an agent surrogate to perform environmental testing, mitigating exposure hazards. This work specifically addresses the assessment of downwind agent vapor concentration resulting from an evaporating simulant droplet. A previously developed methodology was used to estimate the mass diffusivities of the chemical warfare agent simulants methyl salicylate, 2-chloroethyl ethyl sulfide, di-ethyl malonate, and chloroethyl phenyl sulfide. Along with the diffusivity of the chemical warfare agent bis(2-chloroethyl) sulfide, the simulant diffusivities were used in an advection-diffusion model to predict the vapor concentrations downwind from an evaporating droplet of each chemical at various wind velocities and temperatures. The results demonstrate that the simulant-to-agent concentration ratio and the corresponding vapor pressure ratio are equivalent under certain conditions. Specifically, the relationship is valid within ranges of measurement locations relative to the evaporating droplet and observation times. The valid ranges depend on the relative transport properties of the agent and simulant, and whether vapor transport is diffusion or advection dominant. Published by Elsevier B.V.

Advanced designs for non-imaging submillimeter-wave Winston cone concentrators

NASA Astrophysics Data System (ADS)

Nelson, A. O.; Grossman, E. N.

2014-05-01

We describe the design and simulation of several non-imaging concentrators designed to couple submillimeter wavelength radiation from free space into highly overmoded, rectangular, WR-10 waveguide. Previous designs are altered to improve the uniformity of efficiency rather than the efficiency itself. The concentrators are intended for use as adapters between instruments using overmoded WR-10 waveguide as input or output and sources propagating through free space. Previous simulation and measurement have shown that the angular response is primarily determined by the Winston cone and is well predicted by geometric optics theory while the efficiencies are primarily determined by the transition section. Additionally, previous work has shown insensitivity to polarization, orientation and beam size. Several separate concentrator designs are studied, all of which use a Winston cone (also known as a compound parabolic concentrator) with an input diameter ranging from 4 mm to 16 mm, and "throat" diameters of less than 0.5 mm to 4 mm as the initial interface. The use of various length adiabatic circular-to-rectangular transition sections is investigated, along with the effect of an additional, 25 mm waveguide section designed to model the internal waveguide of the power meter. Adapters without a transition section and a rectangular Winston cone throat aperture and double cone configurations are also studied. Adapters are analyzed in simulation for consistent efficiency across the opening aperture.

Monte Carlo simulation of a photodisintegration of 3 H experiment in Geant4

NASA Astrophysics Data System (ADS)

Gray, Isaiah

2013-10-01

An upcoming experiment involving photodisintegration of 3 H at the High Intensity Gamma-Ray Source facility at Duke University has been simulated in the software package Geant4. CAD models of silicon detectors and wire chambers were imported from Autodesk Inventor using the program FastRad and the Geant4 GDML importer. Sensitive detectors were associated with the appropriate logical volumes in the exported GDML file so that changes in detector geometry will be easily manifested in the simulation. Probability distribution functions for the energy and direction of outgoing protons were generated using numerical tables from previous theory, and energies and directions were sampled from these distributions using a rejection sampling algorithm. The simulation will be a useful tool to optimize detector geometry, estimate background rates, and test data analysis algorithms. This work was supported by the Triangle Universities Nuclear Laboratory REU program at Duke University.

Molecular Simulation Results on Charged Carbon Nanotube Forest-Based Supercapacitors.

PubMed

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

2018-06-22

Electrochemical double-layer capacitances of charged carbon nanotube (CNT) forests with tetraethyl ammonium tetrafluoro borate electrolyte in propylene carbonate are studied on the basis of molecular dynamics simulation. Direct molecular simulation of the filling of pore spaces of the forest is feasible even with realistic, small CNT spacings. The numerical solution of the Poisson equation based on the extracted average charge densities then yields a regular experimental dependence on the width of the pore spaces, in contrast to the anomalous pattern observed in experiments on other carbon materials and also in simulations on planar slot-like pores. The capacitances obtained have realistic magnitudes but are insensitive to electric potential differences between the electrodes in this model. This agrees with previous calculations on CNT forest supercapacitors, but not with experiments which have suggested electrochemical doping for these systems. Those phenomena remain for further theory/modeling work. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

β-Sheet Containment by Flanking Prolines: Molecular Dynamic Simulations of the Inhibition of β-Sheet Elongation by Proline Residues in Human Prion Protein

PubMed Central

Shamsir, Mohd S.; Dalby, Andrew R.

2007-01-01

Previous molecular dynamic simulations have reported elongation of the existing β-sheet in prion proteins. Detailed examination has shown that these elongations do not extend beyond the proline residues flanking these β-sheets. In addition, proline has also been suggested to possess a possible structural role in preserving protein interaction sites by preventing invasion of neighboring secondary structures. In this work, we have studied the possible structural role of the flanking proline residues by simulating mutant structures with alternate substitution of the proline residues with valine. Simulations showed a directional inhibition of elongation, with the elongation progressing in the direction of valine including evident inhibition of elongation by existing proline residues. This suggests that the flanking proline residues in prion proteins may have a containment role and would confine the β-sheet within a specific length. PMID:17172295

Some Aspects of Advanced Tokamak Modeling in DIII-D

NASA Astrophysics Data System (ADS)

St John, H. E.; Petty, C. C.; Murakami, M.; Kinsey, J. E.

2000-10-01

We extend previous work(M. Murakami, et al., General Atomics Report GA-A23310 (1999).) done on time dependent DIII-D advanced tokamak simulations by introducing theoretical confinement models rather than relying on power balance derived transport coefficients. We explore using NBCD and off axis ECCD together with a self-consistent aligned bootstrap current, driven by the internal transport barrier dynamics generated with the GLF23 confinement model, to shape the hollow current profile and to maintain MHD stable conditions. Our theoretical modeling approach uses measured DIII-D initial conditions to start off the simulations in a smooth consistent manner. This mitigates the troublesome long lived perturbations in the ohmic current profile that is normally caused by inconsistent initial data. To achieve this goal our simulation uses a sequence of time dependent eqdsks generated autonomously by the EFIT MHD equilibrium code in analyzing experimental data to supply the history for the simulation.

Calibration of semi-stochastic procedure for simulating high-frequency ground motions

USGS Publications Warehouse

Seyhan, Emel; Stewart, Jonathan P.; Graves, Robert

2013-01-01

Broadband ground motion simulation procedures typically utilize physics-based modeling at low frequencies, coupled with semi-stochastic procedures at high frequencies. The high-frequency procedure considered here combines deterministic Fourier amplitude spectra (dependent on source, path, and site models) with random phase. Previous work showed that high-frequency intensity measures from this simulation methodology attenuate faster with distance and have lower intra-event dispersion than in empirical equations. We address these issues by increasing crustal damping (Q) to reduce distance attenuation bias and by introducing random site-to-site variations to Fourier amplitudes using a lognormal standard deviation ranging from 0.45 for Mw < 7 to zero for Mw 8. Ground motions simulated with the updated parameterization exhibit significantly reduced distance attenuation bias and revised dispersion terms are more compatible with those from empirical models but remain lower at large distances (e.g., > 100 km).

Theory, Image Simulation, and Data Analysis of Chemical Release Experiments

NASA Technical Reports Server (NTRS)

Wescott, Eugene M.

1994-01-01

The final phase of Grant NAG6-1 involved analysis of physics of chemical releases in the upper atmosphere and analysis of data obtained on previous NASA sponsored chemical release rocket experiments. Several lines of investigation of past chemical release experiments and computer simulations have been proceeding in parallel. This report summarizes the work performed and the resulting publications. The following topics are addressed: analysis of the 1987 Greenland rocket experiments; calculation of emission rates for barium, strontium, and calcium; the CRIT 1 and 2 experiments (Collisional Ionization Cross Section experiments); image calibration using background stars; rapid ray motions in ionospheric plasma clouds; and the NOONCUSP rocket experiments.

Demonstration of enhanced side-mode suppression in metal-filled photonic crystal vertical cavity lasers.

PubMed

Griffin, Benjamin G; Arbabi, Amir; Peun Tan, Meng; Kasten, Ansas M; Choquette, Kent D; Goddard, Lynford L

2013-06-01

Previously reported simulations have suggested that depositing thin layers of metal over the surface of a single-mode, etched air hole photonic crystal (PhC) vertical-cavity surface-emitting laser (VCSEL) could potentially improve the laser's side-mode suppression ratio by introducing additional losses to the higher-order modes. This work demonstrates the concept by presenting the results of a 30 nm thin film of Cr deposited on the surface of an implant-confined PhC VCSEL. Both experimental measurements and simulation results are in agreement showing that the single-mode operation is improved at the same injection current ratio relative to threshold.

Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive

NASA Astrophysics Data System (ADS)

Maillet, J. B.; Bourasseau, E.; Desbiens, N.; Vallverdu, G.; Stoltz, G.

2011-12-01

An extension of the model described in a previous work (see Maillet J. B. et al., EPL, 78 (2007) 68001) based on Dissipative Particle Dynamics is presented and applied to a liquid high explosive (HE), with thermodynamic properties mimicking those of liquid nitromethane. Large scale nonequilibrium simulations of reacting liquid HE with model kinetic under sustained shock conditions allow a better understanding of the shock-to-detonation transition in homogeneous explosives. Moreover, the propagation of the reactive wave appears discontinuous since ignition points in the shocked material can be activated by the compressive waves emitted from the onset of chemical reactions.

New inner boundaries of the habitable zones around M dwarfs

NASA Astrophysics Data System (ADS)

Bin, Jiayu; Tian, Feng; Liu, Lei

2018-06-01

Two general circulation models CAM4 and CAM5 are used to study the climate of ocean planets around M dwarfs with different effective temperatures. The atmospheres in CAM5 simulations are warmer and contain more water vapor than those in CAM4 under identical model settings, a result likely caused by improved treatments of radiation and possibly clouds in CAM5. The inner boundary of the habitable zones of M dwarfs based on CAM5 simulations, expressed as a second order polynomial function, are farther away from the stars than what are suggested by previous works and the corresponding atmospheres are in the moist greenhouse state.

Evolution of Structure and Composition in Saturn's Rings Due to Ballistic Transport of Micrometeoroid Impact Ejecta

NASA Astrophysics Data System (ADS)

Estrada, P. R.; Durisen, R. H.; Cuzzi, J. N.

2014-04-01

We introduce improved numerical techniques for simulating the structural and compositional evolution of planetary rings due to micrometeoroid bombardment and subsequent ballistic transport of impact ejecta. Our current, robust code, which is based on the original structural code of [1] and on the pollution transport code of [3], is capable of modeling structural changes and pollution transport simultaneously over long times on both local and global scales. We provide demonstrative simulations to compare with, and extend upon previous work, as well as examples of how ballistic transport can maintain the observed structure in Saturn's rings using available Cassini occultation optical depth data.

Staffs' and managers' perceptions of how and when discrete event simulation modelling can be used as a decision support in quality improvement: a focus group discussion study at two hospital settings in Sweden.

PubMed

Hvitfeldt-Forsberg, Helena; Mazzocato, Pamela; Glaser, Daniel; Keller, Christina; Unbeck, Maria

2017-06-06

To explore healthcare staffs' and managers' perceptions of how and when discrete event simulation modelling can be used as a decision support in improvement efforts. Two focus group discussions were performed. Two settings were included: a rheumatology department and an orthopaedic section both situated in Sweden. Healthcare staff and managers (n=13) from the two settings. Two workshops were performed, one at each setting. Workshops were initiated by a short introduction to simulation modelling. Results from the respective simulation model were then presented and discussed in the following focus group discussion. Categories from the content analysis are presented according to the following research questions: how and when simulation modelling can assist healthcare improvement? Regarding how, the participants mentioned that simulation modelling could act as a tool for support and a way to visualise problems, potential solutions and their effects. Regarding when, simulation modelling could be used both locally and by management, as well as a pedagogical tool to develop and test innovative ideas and to involve everyone in the improvement work. Its potential as an information and communication tool and as an instrument for pedagogic work within healthcare improvement render a broader application and value of simulation modelling than previously reported. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

THERMODYNAMICS OF FE-CU ALLOYS AS DESCRIBED BY A CLASSIC POTENTIALS

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

Caro, A; Caro, M; Lopasso, E M

2005-04-14

The Fe-Cu system is of relevance to the nuclear industry because of the deleterious consequences of Cu precipitates in the mechanical properties of Fe. Several sets of classical potentials are used in molecular dynamics simulations studies of this system, in particular that proposed by Ludwig et al. (Modelling Simul. Mater. Sci. Eng. 6, 19 (1998)). In this work we extract thermodynamic information from this interatomic potentials. We obtain equilibrium phase diagram and find a reasonable agreement with the experimental phases in the regions of relevance to radiation damage studies. We compare the results with the predicted phase diagram based onmore » other potential, as calculated in previous work. We discuss the disagreements found between the phase diagram calculated here and experimental results, focusing on the pure components and discuss the applicability of these potentials; finally we suggest an approach to improve existing potentials for this system.« less

Comparing the aerodynamic forces produced by dragonfly forewings during inverted and non-inverted flight

NASA Astrophysics Data System (ADS)

Shumway, Nathan; Gabryszuk, Mateusz; Laurence, Stuart

2017-11-01

Experiments were conducted with live dragonflies to determine their wing kinematics during free flight. The motion of one forewing in two different tests, one where the dragonfly is inverted, is described using piecewise functions and simulated using the OVERTURNS Reynolds-averaged Navier-Stokes solver that has been used in previous work to determine trim conditions for a fruit fly model. For the inverted dragonfly the upstrokes were significantly longer than the downstrokes, pitching amplitude is lower than that for the right-side up flight and the flap amplitude is larger. Simulations of dragonfly kinematics of a single forewing are presented to determine how the forces differ for a dragonfly flying inverted and a dragonfly flying right-side up. This work was supported by the United States Army Research Laboratory's Micro Autonomous Systems and Technology Collaborative Technology Alliance Project MCE-16-17 1.2.

A Highly Resolved Large-Eddy Simulation of a Wind Turbine using an Actuator Line Model with Optimal Body Force Projection

DOE PAGES

Martinez-Tossas, Luis A.; Churchfield, Matthew J.; Meneveau, Charles

2016-10-03

When representing the blade aerodynamics with rotating actuator lines, the computed forces have to be projected back to the CFD flow field as a volumetric body force. That has been done in the past with a geometrically simple uniform three-dimensional Gaussian at each point along the blade. Here, we argue that the body force can be shaped in a way that better predicts the blade local flow field, the blade load distribution, and the formation of the tip/root vortices. In previous work, we have determined the optimal scales of circular and elliptical Gaussian kernels that best reproduce the local flowmore » field in two-dimensions. Lastly, in this work we extend the analysis and applications by considering the full three-dimensional blade to test our hypothesis in a highly resolved Large Eddy Simulation.« less

Filter and Grid Resolution in DG-LES

NASA Astrophysics Data System (ADS)

Miao, Ling; Sammak, Shervin; Madnia, Cyrus K.; Givi, Peyman

2017-11-01

The discontinuous Galerkin (DG) methodology has proven very effective for large eddy simulation (LES) of turbulent flows. Two important parameters in DG-LES are the grid resolution (h) and the filter size (Δ). In most previous work, the filter size is usually set to be proportional to the grid spacing. In this work, the DG method is combined with a subgrid scale (SGS) closure which is equivalent to that of the filtered density function (FDF). The resulting hybrid scheme is particularly attractive because a larger portion of the resolved energy is captured as the order of spectral approximation increases. Different cases for LES of a three-dimensional temporally developing mixing layer are appraised and a systematic parametric study is conducted to investigate the effects of grid resolution, the filter width size, and the order of spectral discretization. Comparative assessments are also made via the use of high resolution direct numerical simulation (DNS) data.

Coupling microscopic and mesoscopic scales to simulate chemical equilibrium between a nanometric carbon cluster and detonation products fluid.

PubMed

Bourasseau, Emeric; Maillet, Jean-Bernard

2011-04-21

This paper presents a new method to obtain chemical equilibrium properties of detonation products mixtures including a solid carbon phase. In this work, the solid phase is modelled through a mesoparticle immersed in the fluid, such that the heterogeneous character of the mixture is explicitly taken into account. Inner properties of the clusters are taken from an equation of state obtained in a previous work, and interaction potential between the nanocluster and the fluid particles is derived from all-atoms simulations using the LCBOPII potential (Long range Carbon Bond Order Potential II). It appears that differences in chemical equilibrium results obtained with this method and the "composite ensemble method" (A. Hervouet et al., J. Phys. Chem. B, 2008, 112.), where fluid and solid phases are considered as non-interacting, are not significant, underlining the fact that considering the inhomogeneity of such system is crucial.

A Highly Resolved Large-Eddy Simulation of a Wind Turbine using an Actuator Line Model with Optimal Body Force Projection

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

Martinez-Tossas, Luis A.; Churchfield, Matthew J.; Meneveau, Charles

When representing the blade aerodynamics with rotating actuator lines, the computed forces have to be projected back to the CFD flow field as a volumetric body force. That has been done in the past with a geometrically simple uniform three-dimensional Gaussian at each point along the blade. Here, we argue that the body force can be shaped in a way that better predicts the blade local flow field, the blade load distribution, and the formation of the tip/root vortices. In previous work, we have determined the optimal scales of circular and elliptical Gaussian kernels that best reproduce the local flowmore » field in two-dimensions. Lastly, in this work we extend the analysis and applications by considering the full three-dimensional blade to test our hypothesis in a highly resolved Large Eddy Simulation.« less

Electron cloud simulations for the main ring of J-PARC

NASA Astrophysics Data System (ADS)

Yee-Rendon, Bruce; Muto, Ryotaro; Ohmi, Kazuhito; Satou, Kenichirou; Tomizawa, Masahito; Toyama, Takeshi

2017-07-01

The simulation of beam instabilities is a helpful tool to evaluate potential threats against the machine protection of the high intensity beams. At Main Ring (MR) of J-PARC, signals related to the electron cloud have been observed during the slow beam extraction mode. Hence, several studies were conducted to investigate the mechanism that produces it, the results confirmed a strong dependence on the beam intensity and the bunch structure in the formation of the electron cloud, however, the precise explanation of its trigger conditions remains incomplete. To shed light on the problem, electron cloud simulations were done using an updated version of the computational model developed from previous works at KEK. The code employed the signals of the measurements to reproduce the events seen during the surveys.

Isotope and fast ions turbulence suppression effects: Consequences for high-β ITER plasmas

NASA Astrophysics Data System (ADS)

Garcia, J.; Görler, T.; Jenko, F.

2018-05-01

The impact of isotope effects and fast ions on microturbulence is analyzed by means of non-linear gyrokinetic simulations for an ITER hybrid scenario at high beta obtained from previous integrated modelling simulations with simplified assumptions. Simulations show that ITER might work very close to threshold, and in these conditions, significant turbulence suppression is found from DD to DT plasmas. Electromagnetic effects are shown to play an important role in the onset of this isotope effect. Additionally, even external ExB flow shear, which is expected to be low in ITER, has a stronger impact on DT than on DD. The fast ions generated by fusion reactions can additionally reduce turbulence even more although the impact in ITER seems weaker than in present-day tokamaks.

A Numerical Simulation and Statistical Modeling of High Intensity Radiated Fields Experiment Data

NASA Technical Reports Server (NTRS)

Smith, Laura J.

2004-01-01

Tests are conducted on a quad-redundant fault tolerant flight control computer to establish upset characteristics of an avionics system in an electromagnetic field. A numerical simulation and statistical model are described in this work to analyze the open loop experiment data collected in the reverberation chamber at NASA LaRC as a part of an effort to examine the effects of electromagnetic interference on fly-by-wire aircraft control systems. By comparing thousands of simulation and model outputs, the models that best describe the data are first identified and then a systematic statistical analysis is performed on the data. All of these efforts are combined which culminate in an extrapolation of values that are in turn used to support previous efforts used in evaluating the data.

Development of a computational model on the neural activity patterns of a visual working memory in a hierarchical feedforward Network

NASA Astrophysics Data System (ADS)

An, Soyoung; Choi, Woochul; Paik, Se-Bum

2015-11-01

Understanding the mechanism of information processing in the human brain remains a unique challenge because the nonlinear interactions between the neurons in the network are extremely complex and because controlling every relevant parameter during an experiment is difficult. Therefore, a simulation using simplified computational models may be an effective approach. In the present study, we developed a general model of neural networks that can simulate nonlinear activity patterns in the hierarchical structure of a neural network system. To test our model, we first examined whether our simulation could match the previously-observed nonlinear features of neural activity patterns. Next, we performed a psychophysics experiment for a simple visual working memory task to evaluate whether the model could predict the performance of human subjects. Our studies show that the model is capable of reproducing the relationship between memory load and performance and may contribute, in part, to our understanding of how the structure of neural circuits can determine the nonlinear neural activity patterns in the human brain.

Association effects in the {methanol + inert solvent} system via Monte Carlo simulations. II. Thermodynamics

NASA Astrophysics Data System (ADS)

Gómez-Álvarez, Paula; Romaní, Luis; González-Salgado, Diego

2013-05-01

Mixtures containing associated substances show a singular thermodynamic behaviour that has attracted to scientific community during the last century. Particularly, binary systems composed of an associating fluid and an inert solvent, where association occurs only between molecules of the same kind, have been extensively studied. A number of theoretical approaches were used in order to gain insights into the effect of the association on the macroscopic behaviour, especially on the second-order thermodynamic derivatives (or response functions). Curiously, to our knowledge, molecular simulations have not been used to that end despite describing the molecules and their interactions in a more complete and realistic way than theoretical models. With this in mind, a simple methodology developed in the framework of Monte Carlo molecular simulation is used in this work to quantify the association contribution to a wide set of thermodynamic properties for the {methanol + Lennard Jones} specific system under room conditions and throughout the composition range. Special attention was paid to the response functions and their respective excess properties, for which a detailed comparison with selected previous works in the field has been established.

Coupling Detonation Shock Dynamics in a Consistent Manner to Equations of State

NASA Astrophysics Data System (ADS)

Belfield, William

2017-06-01

In hydrocode simulations, detonating high explosives (HE) are often modelled using programmed burn. Each HE cell is assigned a ``burn time'' at which it should begin to behave as HE products in the subsequent simulation. Traditionally, these burn times were calculated using a Huygens construction to propagate the detonation wave at a constant speed corresponding to the planar Chapman-Jouguet (CJ) velocity. The Detonation Shock Dynamics (DSD) model improves upon this approach by treating the local detonation velocity as a function of wave curvature, reflecting that the detonation speed is not constant in reality. However, without alterations being made, this variable detonation velocity is inconsistent with the CJ velocity associated with the HE products equation of state (EOS). Previous work has shown that the inconsistency can be resolved by modifying the HE product EOS, but this treatment is empirical in nature and has only been applied to the JWL EOS. This work investigates different methods to resolve the inconsistency that are applicable both to JWL and to tabular HE product EOS, and their impact on hydrocode simulations.

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

NASA Technical Reports Server (NTRS)

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

2011-01-01

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

Modeling of a microchannel plate working in pulsed mode

NASA Astrophysics Data System (ADS)

Secroun, Aurelia; Mens, Alain; Segre, Jacques; Assous, Franck; Piault, Emmanuel; Rebuffie, Jean-Claude

1997-05-01

MicroChannel Plates (MCPs) are used in high speed cinematography systems such as MCP framing cameras and streak camera readouts. In order to know the dynamic range or the signal to noise ratio that are available in these devices, a good knowledge of the performances of the MCP is essential. The point of interest of our simulation is the working mode of the microchannel plate--that is light pulsed mode--, in which the signal level is relatively high and its duration can be shorter than the time needed to replenish the wall of the channel, when other papers mainly studied night vision applications with weak continuous and nearly single electron input signal. Also our method allows the simulation of saturation phenomena due to the large number of electrons involved, whereas the discrete models previously used for simulating pulsed mode might not be properly adapted. Here are presented the choices made in modeling the microchannel, more specifically as for the physics laws, the secondary emission parameters and the 3D- geometry. In a last part first results are shown.

Validation of CFD simulation of recoilless EOD water cannon by firing experiments with high speed camera

NASA Astrophysics Data System (ADS)

Chantrasmi, Tonkid; Hongthong, Premsiri; Kongkaniti, Manop

2018-01-01

Water cannon used by Explosive Ordnance Disposal (EOD) were designed to propel a burst of water jet moving at high speed to target and disrupt an improvised explosive device (IED). The cannon could be mounted on a remotely controlled robot, so it is highly desirable for the cannon to be recoilless in order not to damage the robot after firing. In the previous work, a nonconventional design of the water cannon was conceived. The recoil was greatly reduced by backward sprays of water through a ring of slotted holes around the muzzle. This minimizes the need to manufacture new parts by utilizing all off-the-shelf components except the tailor-made muzzle. The design was then investigated numerically by a series of Computational Fluid Dynamics (CFD) simulations. In this work, high speed camera was employed in firing experiments to capture the motion of the water jet and the backward sprays. It was found that the experimental data agreed well with the simulation results in term of averaged exit velocities.

Numerical simulation of gender differences in a long-term microgravity exposure

NASA Astrophysics Data System (ADS)

Perez-Poch, Antoni

The objective of this work is to analyse and simulate gender differences when individuals are exposed to long-term microgravity. Risk probability of a health impairment which may put in jeopardy a long-term mission is also evaluated. Computer simulations are becoming a promising research line of work, as physiological models become more and more sophisticated and reliable. Technological advances in state-of-the-art hardware technology and software allow nowadays for better and more accurate simulations of complex phenomena, such as the response of the human cardiovascular system to long-term exposure to microgravity. Experimental data for long-term missions are difficult to achieve and reproduce, therefore the predictions of computer simulations are of a major importance in this field. Our approach is based on a previous model developed and implemented in our laboratory (NELME: Numerical Evaluation of Long-term Microgravity Effects). The software simulates the behaviour of the cardiovascular system and different human organs, has a modular architecture, and allows to introduce perturbations such as physical exercise or countermeasures. The implementation is based on a complex electricallike model of this control system, using inexpensive software development frameworks, and has been tested and validated with the available experimental data. Gender differences have been implemented for this specific work, as an adjustment of a number of parameters that are included in the model. Women versus men physiological differences have been therefore taken into account, based upon estimations from the physiology bibliography. A number of simulations have been carried out for long-term exposure to microgravity. Gravity varying from Earth-based to zero, and time exposure are the two main variables involved in the construction of results, including responses to patterns of physical aerobical exercise, and also thermal stress simulating an extra-vehicular activity. Results show that significant differences appear between men and women physiological response after long-term exposure (more than three months) to microgravity. Risk evaluation for every gender, and specific risk thresholds are provided. Initial results are compatible with the existing data, and provide unique information regarding different patterns of microgravity exposure. We conclude that computer-based models such us NELME are a promising line of work to predict health risks in long-term missions. More experimental work is needed to adjust some parameters of the model. This work may be seen as another contribution to a better understanding of the underlying processes involved for both women in man adaptation to long-term microgravity.

Detecting population-environmental interactions with mismatched time series data.

PubMed

Ferguson, Jake M; Reichert, Brian E; Fletcher, Robert J; Jager, Henriëtte I

2017-11-01

Time series analysis is an essential method for decomposing the influences of density and exogenous factors such as weather and climate on population regulation. However, there has been little work focused on understanding how well commonly collected data can reconstruct the effects of environmental factors on population dynamics. We show that, analogous to similar scale issues in spatial data analysis, coarsely sampled temporal data can fail to detect covariate effects when interactions occur on timescales that are fast relative to the survey period. We propose a method for modeling mismatched time series data that couples high-resolution environmental data to low-resolution abundance data. We illustrate our approach with simulations and by applying it to Florida's southern Snail kite population. Our simulation results show that our method can reliably detect linear environmental effects and that detecting nonlinear effects requires high-resolution covariate data even when the population turnover rate is slow. In the Snail kite analysis, our approach performed among the best in a suite of previously used environmental covariates explaining Snail kite dynamics and was able to detect a potential phenological shift in the environmental dependence of Snail kites. Our work provides a statistical framework for reliably detecting population-environment interactions from coarsely surveyed time series. An important implication of this work is that the low predictability of animal population growth by weather variables found in previous studies may be due, in part, to how these data are utilized as covariates. © 2017 by the Ecological Society of America.

Detecting population–environmental interactions with mismatched time series data

PubMed Central

Ferguson, Jake M.; Reichert, Brian E.; Fletcher, Robert J.; Jager, Henriëtte I.

2017-01-01

Time series analysis is an essential method for decomposing the influences of density and exogenous factors such as weather and climate on population regulation. However, there has been little work focused on understanding how well commonly collected data can reconstruct the effects of environmental factors on population dynamics. We show that, analogous to similar scale issues in spatial data analysis, coarsely sampled temporal data can fail to detect covariate effects when interactions occur on timescales that are fast relative to the survey period. We propose a method for modeling mismatched time series data that couples high-resolution environmental data to low-resolution abundance data. We illustrate our approach with simulations and by applying it to Florida’s southern Snail kite population. Our simulation results show that our method can reliably detect linear environmental effects and that detecting nonlinear effects requires high-resolution covariate data even when the population turnover rate is slow. In the Snail kite analysis, our approach performed among the best in a suite of previously used environmental covariates explaining Snail kite dynamics and was able to detect a potential phenological shift in the environmental dependence of Snail kites. Our work provides a statistical framework for reliably detecting population–environment interactions from coarsely surveyed time series. An important implication of this work is that the low predictability of animal population growth by weather variables found in previous studies may be due, in part, to how these data are utilized as covariates. PMID:28759123

Development of Three-Dimensional Flow Code Package to Predict Performance and Stability of Aircraft with Leading Edge Ice Contamination

NASA Technical Reports Server (NTRS)

Strash, D. J.; Summa, J. M.

1996-01-01

In the work reported herein, a simplified, uncoupled, zonal procedure is utilized to assess the capability of numerically simulating icing effects on a Boeing 727-200 aircraft. The computational approach combines potential flow plus boundary layer simulations by VSAERO for the un-iced aircraft forces and moments with Navier-Stokes simulations by NPARC for the incremental forces and moments due to iced components. These are compared with wind tunnel force and moment data, supplied by the Boeing Company, examining longitudinal flight characteristics. Grid refinement improved the local flow features over previously reported work with no appreciable difference in the incremental ice effect. The computed lift curve slope with and without empennage ice matches the experimental value to within 1%, and the zero lift angle agrees to within 0.2 of a degree. The computed slope of the un-iced and iced aircraft longitudinal stability curve is within about 2% of the test data. This work demonstrates the feasibility of a zonal method for the icing analysis of complete aircraft or isolated components within the linear angle of attack range. In fact, this zonal technique has allowed for the viscous analysis of a complete aircraft with ice which is currently not otherwise considered tractable.

HEAVY AND THERMAL OIL RECOVERY PRODUCTION MECHANISMS

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

Anthony R. Kovscek

2003-04-01

This technical progress report describes work performed from January 1 through March 31, 2003 for the project ''Heavy and Thermal Oil Recovery Production Mechanisms,'' DE-FC26-00BC15311. In this project, a broad spectrum of research is undertaken related to thermal and heavy-oil recovery. The research tools and techniques span from pore-level imaging of multiphase fluid flow to definition of reservoir-scale features through streamline-based history matching techniques. During this period, previous analysis of experimental data regarding multidimensional imbibition to obtain shape factors appropriate for dual-porosity simulation was verified by comparison among analytic, dual-porosity simulation, and fine-grid simulation. We continued to study the mechanismsmore » by which oil is produced from fractured porous media at high pressure and high temperature. Temperature has a beneficial effect on recovery and reduces residual oil saturation. A new experiment was conducted on diatomite core. Significantly, we show that elevated temperature induces fines release in sandstone cores and this behavior may be linked to wettability. Our work in the area of primary production of heavy oil continues with field cores and crude oil. On the topic of reservoir definition, work continued on developing techniques that integrate production history into reservoir models using streamline-based properties.« less

Fluid-structure interaction simulations of deformable structures with non-linear thin shell elements

NASA Astrophysics Data System (ADS)

Asgharzadeh, Hafez; Hedayat, Mohammadali; Borazjani, Iman; Scientific Computing; Biofluids Laboratory Team

2017-11-01

Large deformation of structures in a fluid is simulated using a strongly coupled partitioned fluid-structure interaction (FSI) approach which is stabilized with under-relaxation and the Aitken acceleration technique. The fluid is simulated using a recently developed implicit Newton-Krylov method with a novel analytical Jacobian. Structures are simulated using a triangular thin-shell finite element formulation, which considers only translational degrees of freedom. The thin-shell method is developed on the top of a previously implemented membrane finite element formulation. A sharp interface immersed boundary method is used to handle structures in the fluid domain. The developed FSI framework is validated against two three-dimensional experiments: (1) a flexible aquatic vegetation in the fluid and (2) a heaving flexible panel in fluid. Furthermore, the developed FSI framework is used to simulate tissue heart valves, which involve large deformations and non-linear material properties. This work was supported by American Heart Association (AHA) Grant 13SDG17220022 and the Center of Computational Research (CCR) of University at Buffalo.

An Implicit Algorithm for the Numerical Simulation of Shape-Memory Alloys

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

Becker, R; Stolken, J; Jannetti, C

Shape-memory alloys (SMA) have the potential to be used in a variety of interesting applications due to their unique properties of pseudoelasticity and the shape-memory effect. However, in order to design SMA devices efficiently, a physics-based constitutive model is required to accurately simulate the behavior of shape-memory alloys. The scope of this work is to extend the numerical capabilities of the SMA constitutive model developed by Jannetti et. al. (2003), to handle large-scale polycrystalline simulations. The constitutive model is implemented within the finite-element software ABAQUS/Standard using a user defined material subroutine, or UMAT. To improve the efficiency of the numericalmore » simulations, so that polycrystalline specimens of shape-memory alloys can be modeled, a fully implicit algorithm has been implemented to integrate the constitutive equations. Using an implicit integration scheme increases the efficiency of the UMAT over the previously implemented explicit integration method by a factor of more than 100 for single crystal simulations.« less

Optimization of automotive Rankine cycle waste heat recovery under various engine operating condition

NASA Astrophysics Data System (ADS)

Punov, Plamen; Milkov, Nikolay; Danel, Quentin; Perilhon, Christelle; Podevin, Pierre; Evtimov, Teodossi

2017-02-01

An optimization study of the Rankine cycle as a function of diesel engine operating mode is presented. The Rankine cycle here, is studied as a waste heat recovery system which uses the engine exhaust gases as heat source. The engine exhaust gases parameters (temperature, mass flow and composition) were defined by means of numerical simulation in advanced simulation software AVL Boost. Previously, the engine simulation model was validated and the Vibe function parameters were defined as a function of engine load. The Rankine cycle output power and efficiency was numerically estimated by means of a simulation code in Python(x,y). This code includes discretized heat exchanger model and simplified model of the pump and the expander based on their isentropic efficiency. The Rankine cycle simulation revealed the optimum value of working fluid mass flow and evaporation pressure according to the heat source. Thus, the optimal Rankine cycle performance was obtained over the engine operating map.

Multiscale Computer Simulation of Failure in Aerogels

NASA Technical Reports Server (NTRS)

Good, Brian S.

2008-01-01

Aerogels have been of interest to the aerospace community primarily for their thermal properties, notably their low thermal conductivities. While such gels are typically fragile, recent advances in the application of conformal polymer layers to these gels has made them potentially useful as lightweight structural materials as well. We have previously performed computer simulations of aerogel thermal conductivity and tensile and compressive failure, with results that are in qualitative, and sometimes quantitative, agreement with experiment. However, recent experiments in our laboratory suggest that gels having similar densities may exhibit substantially different properties. In this work, we extend our original diffusion limited cluster aggregation (DLCA) model for gel structure to incorporate additional variation in DLCA simulation parameters, with the aim of producing DLCA clusters of similar densities that nevertheless have different fractal dimension and secondary particle coordination. We perform particle statics simulations of gel strain on these clusters, and consider the effects of differing DLCA simulation conditions, and the resultant differences in fractal dimension and coordination, on gel strain properties.

Multi-Resolution Rapid Prototyping of Vehicle Cooling Systems: Approach and Test Results

DTIC Science & Technology

2014-08-01

where the A/C was working. Figure 21: Comparison model/experiment for condenser refrigerant power; heat transfer factor = 0.8 The figure...previously. To demonstrate stable interactions with a more realistic environment, we have connected the four heat exchangers (two radiators, condenser ...simulations of any vehicle (or other) cooling systems. It can be seen that the underHood heat exchangers (transaxle radiator, condenser and ICE

X-ray Polarimetry with a Micro-Pattern Gas Detector

NASA Technical Reports Server (NTRS)

Hill, Joe

2005-01-01

Topics covered include: Science drivers for X-ray polarimetry; Previous X-ray polarimetry designs; The photoelectric effect and imaging tracks; Micro-pattern gas polarimeter design concept. Further work includes: Verify results against simulator; Optimize pressure and characterize different gases for a given energy band; Optimize voltages for resolution and sensitivity; Test meshes with 80 micron pitch; Characterize ASIC operation; and Quantify quantum efficiency for optimum polarization sensitivity.

Dust Devils on Mars: Effects of Surface Roughness on Particle Threshold

NASA Technical Reports Server (NTRS)

Neakrase, Lynn D.; Greeley, Ronald; Iversen, James D.; Balme, Matthew L.; Foley, Daniel J.; Eddlemon, Eric E.

2005-01-01

Dust devils have been proposed as effective mechanisms for lofting large quantities of dust into the martian atmosphere. Previous work showed that vortices lift dust more easily than simple boundary layer winds. The aim of this study is to determine experimentally the effects of non-erodable roughness elements on vortex particle threshold through laboratory simulations of natural surfaces. Additional information is included in the original extended abstract.

Optimization of Well Configuration for a Sedimentary Enhanced Geothermal Reservoir

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

Zhou, Mengnan; Cho, JaeKyoung; Zerpa, Luis E.

The extraction of geothermal energy in the form of hot water from sedimentary rock formations could expand the current geothermal energy resources toward new regions. From previous work, we observed that sedimentary geothermal reservoirs with relatively low permeability would require the application of enhancement techniques (e.g., well hydraulic stimulation) to achieve commercial production/injection rates. In this paper we extend our previous work to develop a methodology to determine the optimum well configuration that maximizes the hydraulic performance of the geothermal system. The geothermal systems considered consist of one vertical well doublet system with hydraulic fractures, and three horizontal well configurationsmore » with open-hole completion, longitudinal fractures and transverse fractures, respectively. A commercial thermal reservoir simulation is used to evaluate the geothermal reservoir performance using as design parameters the well spacing and the length of the horizontal wells. The results obtained from the numerical simulations are used to build a response surface model based on the multiple linear regression method. The optimum configuration of the sedimentary geothermal systems is obtained from the analysis of the response surface model. The proposed methodology is applied to a case study based on a reservoir model of the Lyons sandstone formation, located in the Wattenberg field, Denver-Julesburg basin, Colorado.« less

Inferring Gene Regulatory Networks by Singular Value Decomposition and Gravitation Field Algorithm

PubMed Central

Zheng, Ming; Wu, Jia-nan; Huang, Yan-xin; Liu, Gui-xia; Zhou, You; Zhou, Chun-guang

2012-01-01

Reconstruction of gene regulatory networks (GRNs) is of utmost interest and has become a challenge computational problem in system biology. However, every existing inference algorithm from gene expression profiles has its own advantages and disadvantages. In particular, the effectiveness and efficiency of every previous algorithm is not high enough. In this work, we proposed a novel inference algorithm from gene expression data based on differential equation model. In this algorithm, two methods were included for inferring GRNs. Before reconstructing GRNs, singular value decomposition method was used to decompose gene expression data, determine the algorithm solution space, and get all candidate solutions of GRNs. In these generated family of candidate solutions, gravitation field algorithm was modified to infer GRNs, used to optimize the criteria of differential equation model, and search the best network structure result. The proposed algorithm is validated on both the simulated scale-free network and real benchmark gene regulatory network in networks database. Both the Bayesian method and the traditional differential equation model were also used to infer GRNs, and the results were used to compare with the proposed algorithm in our work. And genetic algorithm and simulated annealing were also used to evaluate gravitation field algorithm. The cross-validation results confirmed the effectiveness of our algorithm, which outperforms significantly other previous algorithms. PMID:23226565

Molecular Dynamics Investigation of Each Bubble Behavior in Coarsening of Cavitation Bubbles in a Finite Space

NASA Astrophysics Data System (ADS)

Tsuda, Shin-Ichi; Nakano, Yuta; Watanabe, Satoshi

2017-11-01

Recently, several studies using Molecular Dynamics (MD) simulation have been conducted for investigation of Ostwald ripening of cavitation bubbles in a finite space. The previous studies focused a characteristic length of bubbles as one of the spatially-averaged quantities, but each bubble behavior was not been investigated in detail. The objective of this study is clarification of the characteristics of each bubble behavior in Ostwald ripening, and we conducted MD simulation of a Lennard-Jones fluid in a semi-confined space. As a result, the time dependency of the characteristic length of bubbles as a spatially-averaged quantity suggested that the driving force of the Ostwald ripening is Evaporation/Condensation (EC) across liquid-vapor surface, which is the same result as the previous works. The radius change of the relatively larger bubbles also showed the same tendency to a classical EC model. However, the sufficiently smaller bubbles than the critical size, e.g., the bubbles just before collapsing, showed a different characteristic from the classical EC model. Those smaller bubbles has a tendency to be limited by mechanical non-equilibrium in which viscosity of liquid is dominant rather than by EC across liquid-vapor surface. This work was supported by JSPS KAKENHI Grant Number JP16K06085.

OSCILLATOR STRENGTHS OF VIBRIONIC EXCITATIONS OF NITROGEN DETERMINED BY THE DIPOLE (γ, γ) METHOD

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

Liu, Ya-Wei; Kang, Xu; Xu, Long-Quan

2016-03-10

The oscillator strengths of the valence-shell excitations of molecular nitrogen have significant applicational values in studies of the Earth's atmosphere and interstellar gases. In this work, the absolute oscillator strengths of the valence-shell excitations of molecular nitrogen in 12.3–13.4 eV were measured by the novel dipole (γ, γ) method, in which the high-resolution inelastic X-ray scattering is operated at a negligibly small momentum transfer and can simulate the photoabsorption process. Because the experimental technique used in the present work is distinctly different from those used previously, the present experimental results give an independent cross-check to previous experimental and theoretical data.more » The excellent coincidence of the present results with the dipole (e, e) and those that were extrapolated indicates that the present oscillator strengths can serve as benchmark data.« less

Analyzing the Effectiveness of the Self-organized Public-Key Management System on MANETs under the Lack of Cooperation and the Impersonation Attacks

NASA Astrophysics Data System (ADS)

da Silva, Eduardo; Dos Santos, Aldri Luiz; Lima, Michele N.; Albini, Luiz Carlos Pessoa

Among the key management schemes for MANETs, the Self-Organized Public-Key Management System (PGP-Like) is the main chaining-based key management scheme. It is fully self-organized and does not require any certificate authority. Two kinds of misbehavior attacks are considered to be great threats to PGP-Like: lack of cooperation and impersonation attacks. This work quantifies the impact of such attacks on the PGP-Like. Simulation results show that PGP-Like was able to maintain its effectiveness when submitted to the lack of cooperation attack, contradicting previously theoretical results. It correctly works even in the presence of more than 60% of misbehaving nodes, although the convergence time is affected with only 20% of misbehaving nodes. On the other hand, PGP-Like is completely vulnerable to the impersonation attack. Its functionality is affected with just 5% of misbehaving nodes, confirming previously theoretical results.

Automated social skills training with audiovisual information.

PubMed

Tanaka, Hiroki; Sakti, Sakriani; Neubig, Graham; Negoro, Hideki; Iwasaka, Hidemi; Nakamura, Satoshi

2016-08-01

People with social communication difficulties tend to have superior skills using computers, and as a result computer-based social skills training systems are flourishing. Social skills training, performed by human trainers, is a well-established method to obtain appropriate skills in social interaction. Previous works have attempted to automate one or several parts of social skills training through human-computer interaction. However, while previous work on simulating social skills training considered only acoustic and linguistic features, human social skills trainers take into account visual features (e.g. facial expression, posture). In this paper, we create and evaluate a social skills training system that closes this gap by considering audiovisual features regarding ratio of smiling, yaw, and pitch. An experimental evaluation measures the difference in effectiveness of social skill training when using audio features and audiovisual features. Results showed that the visual features were effective to improve users' social skills.

Experimental Investigation into the Radar Anomalies on the Surface of Venus

NASA Technical Reports Server (NTRS)

Kohler, E.; Gavin, P.; Chevrier, V.; Johnson, Natasha M.

2012-01-01

Radar mapping of thc surface of Venus shows areas of high reflectivity (low emissivity) in the Venusian highlands at altitudes between 2.5-4.75 kilometers. The origin of the radar anomalies found in the Venusian highlands remains unclear. Most explanations of the potential causes for these radar anomalies come from theoretical work. Previous studies suggest increased surface roughness or materials with higher dielectric constants as well as surface atmospheric interactions. Several possible candidates of high-dielectric materials are tellurium) ferroelectric materials, and lead or bismuth sulfides. While previous studies have been influential in determining possible sources for the Venus anomalies, only a very few hypotheses have been verified via experimentation. This work intends to experimentally constrain the source of the radar anomalies on Venus. This study proposes to investigate four possible materials that could potentially cause the high reflectivities on the surface of Venus and tests their behavior under simulated Venusian conditions.

Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields

USGS Publications Warehouse

Lee, M.W.; Meuwly, M.

2013-01-01

The evaluation of hydration free energies is a sensitive test to assess force fields used in atomistic simulations. We showed recently that the vibrational relaxation times, 1D- and 2D-infrared spectroscopies for CN(-) in water can be quantitatively described from molecular dynamics (MD) simulations with multipolar force fields and slightly enlarged van der Waals radii for the C- and N-atoms. To validate such an approach, the present work investigates the solvation free energy of cyanide in water using MD simulations with accurate multipolar electrostatics. It is found that larger van der Waals radii are indeed necessary to obtain results close to the experimental values when a multipolar force field is used. For CN(-), the van der Waals ranges refined in our previous work yield hydration free energy between -72.0 and -77.2 kcal mol(-1), which is in excellent agreement with the experimental data. In addition to the cyanide ion, we also study the hydroxide ion to show that the method used here is readily applicable to similar systems. Hydration free energies are found to sensitively depend on the intermolecular interactions, while bonded interactions are less important, as expected. We also investigate in the present work the possibility of applying the multipolar force field in scoring trajectories generated using computationally inexpensive methods, which should be useful in broader parametrization studies with reduced computational resources, as scoring is much faster than the generation of the trajectories.

A Thermo-Poromechanics Finite Element Model for Predicting Arterial Tissue Fusion

NASA Astrophysics Data System (ADS)

Fankell, Douglas P.

This work provides modeling efforts and supplemental experimental work performed towards the ultimate goal of modeling heat transfer, mass transfer, and deformation occurring in biological tissue, in particular during arterial fusion and cutting. Developing accurate models of these processes accomplishes two goals. First, accurate models would enable engineers to design devices to be safer and less expensive. Second, the mechanisms behind tissue fusion and cutting are widely unknown; models with the ability to accurately predict physical phenomena occurring in the tissue will allow for insight into the underlying mechanisms of the processes. This work presents three aims and the efforts in achieving them, leading to an accurate model of tissue fusion and more broadly the thermo-poromechanics (TPM) occurring within biological tissue. Chapters 1 and 2 provide the motivation for developing accurate TPM models of biological tissue and an overview of previous modeling efforts. In Chapter 3, a coupled thermo-structural finite element (FE) model with the ability to predict arterial cutting is offered. From the work presented in Chapter 3, it became obvious a more detailed model was needed. Chapter 4 meets this need by presenting small strain TPM theory and its implementation in an FE code. The model is then used to simulate thermal tissue fusion. These simulations show the model's promise in predicting the water content and temperature of arterial wall tissue during the fusion process, but it is limited by its small deformation assumptions. Chapters 5-7 attempt to address this limitation by developing and implementing a large deformation TPM FE model. Chapters 5, 6, and 7 present a thermodynamically consistent, large deformation TPM FE model and its ability to simulate tissue fusion. Ultimately, this work provides several methods of simulating arterial tissue fusion and the thermo-poromechanics of biological tissue. It is the first work, to the author's knowledge, to simulate the fully coupled TPM of biological tissue and the first to present a fully coupled large deformation TPM FE model. In doing so, a stepping stone for more advanced modeling of biological tissue has been laid.

Hydraulics calculation in drilling simulator

NASA Astrophysics Data System (ADS)

Malyugin, Aleksey A.; Kazunin, Dmitry V.

2018-05-01

The modeling of drilling hydraulics in the simulator system is discussed. This model is based on the previously developed quasi-steady model of an incompressible fluid flow. The model simulates the operation of all parts of the hydraulic drilling system. Based on the principles of creating a common hydraulic model, a set of new elements for well hydraulics was developed. It includes elements that correspond to the in-drillstring and annular space. There are elements controlling the inflow from the reservoir into the well and simulating the lift of gas along the annulus. New elements of the hydrosystem take into account the changing geometry of the well, loss in the bit, characteristics of the fluids including viscoplasticity. There is an opportunity specify the complications, the main one of which is gas, oil and water inflow. Correct work of models in cases of complications makes it possible to work out various methods for their elimination. The coefficients of the model are adjusted on the basis of incomplete experimental data provided by operators of drilling platforms. At the end of the article the results of modeling the elimination of gas inflow by a continuous method are presented. The values displayed in the simulator (drill pipe pressure, annulus pressure, input and output flow rates) are in good agreement with the experimental data. This exercise took one hour, which is less than the time on a real rig with the same configuration of equipment and well.

Injury tolerance of tibia for the car-pedestrian impact.

PubMed

Mo, Fuhao; Arnoux, Pierre Jean; Jure, Jean Jaques; Masson, Catherine

2012-05-01

Lower limbs are normally the first contacted body region during car-pedestrian accidents, and easily suffer serious injuries. The previous tibia bending tolerances for pedestrian safety were mainly developed from three-point bending tests on tibia mid-shaft. The tibia tolerances of other locations are still not investigated enough. In addition, tibia loading condition under the car-pedestrian impact should be explored to compare with the three-point bending. This work aims to investigate the injury tolerance of tibia fracture with combined experimental data and numerical simulation. Eleven new reported quasi-static bending tests of tibia mid-shaft, and additional eleven dynamic mid-shaft bending test results in the previous literature were used to define injury risk functions. Furthermore, to investigate the influence of tibia locations on bending tolerance, finite element simulations with lower limb model were implemented according to three-point bending and pedestrian impact conditions. The regressive curve of tibia bending tolerance was obtained from the simulations on the different impact locations, and indicated that tibia fracture tolerance could vary largely due to the impact locations for the car-pedestrian crash. Copyright © 2011 Elsevier Ltd. All rights reserved.

A minimal model of self-sustaining turbulence

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

Thomas, Vaughan L.; Gayme, Dennice F.; Farrell, Brian F.

2015-10-15

In this work, we examine the turbulence maintained in a Restricted Nonlinear (RNL) model of plane Couette flow. This model is a computationally efficient approximation of the second order statistical state dynamics obtained by partitioning the flow into a streamwise averaged mean flow and perturbations about that mean, a closure referred to herein as the RNL{sub ∞} model. The RNL model investigated here employs a single member of the infinite ensemble that comprises the covariance of the RNL{sub ∞} dynamics. The RNL system has previously been shown to support self-sustaining turbulence with a mean flow and structural features that aremore » consistent with direct numerical simulations (DNS). Regardless of the number of streamwise Fourier components used in the simulation, the RNL system’s self-sustaining turbulent state is supported by a small number of streamwise varying modes. Remarkably, further truncation of the RNL system’s support to as few as one streamwise varying mode can suffice to sustain the turbulent state. The close correspondence between RNL simulations and DNS that has been previously demonstrated along with the results presented here suggest that the fundamental mechanisms underlying wall-turbulence can be analyzed using these highly simplified RNL systems.« less

The Elastic Behaviour of Sintered Metallic Fibre Networks: A Finite Element Study by Beam Theory

PubMed Central

Bosbach, Wolfram A.

2015-01-01

Background The finite element method has complimented research in the field of network mechanics in the past years in numerous studies about various materials. Numerical predictions and the planning efficiency of experimental procedures are two of the motivational aspects for these numerical studies. The widespread availability of high performance computing facilities has been the enabler for the simulation of sufficiently large systems. Objectives and Motivation In the present study, finite element models were built for sintered, metallic fibre networks and validated by previously published experimental stiffness measurements. The validated models were the basis for predictions about so far unknown properties. Materials and Methods The finite element models were built by transferring previously published skeletons of fibre networks into finite element models. Beam theory was applied as simplification method. Results and Conclusions The obtained material stiffness isn’t a constant but rather a function of variables such as sample size and boundary conditions. Beam theory offers an efficient finite element method for the simulated fibre networks. The experimental results can be approximated by the simulated systems. Two worthwhile aspects for future work will be the influence of size and shape and the mechanical interaction with matrix materials. PMID:26569603

Assessment of the neutron dose field around a biomedical cyclotron: FLUKA simulation and experimental measurements.

PubMed

Infantino, Angelo; Cicoria, Gianfranco; Lucconi, Giulia; Pancaldi, Davide; Vichi, Sara; Zagni, Federico; Mostacci, Domiziano; Marengo, Mario

2016-12-01

In the planning of a new cyclotron facility, an accurate knowledge of the radiation field around the accelerator is fundamental for the design of shielding, the protection of workers, the general public and the environment. Monte Carlo simulations can be very useful in this process, and their use is constantly increasing. However, few data have been published so far as regards the proper validation of Monte Carlo simulation against experimental measurements, particularly in the energy range of biomedical cyclotrons. In this work a detailed model of an existing installation of a GE PETtrace 16.5MeV cyclotron was developed using FLUKA. An extensive measurement campaign of the neutron ambient dose equivalent H ∗ (10) in marked positions around the cyclotron was conducted using a neutron rem-counter probe and CR39 neutron detectors. Data from a previous measurement campaign performed by our group using TLDs were also re-evaluated. The FLUKA model was then validated by comparing the results of high-statistics simulations with experimental data. In 10 out of 12 measurement locations, FLUKA simulations were in agreement within uncertainties with all the three different sets of experimental data; in the remaining 2 positions, the agreement was with 2/3 of the measurements. Our work allows to quantitatively validate our FLUKA simulation setup and confirms that Monte Carlo technique can produce accurate results in the energy range of biomedical cyclotrons. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Simulation of Attacks for Security in Wireless Sensor Network.

PubMed

Diaz, Alvaro; Sanchez, Pablo

2016-11-18

The increasing complexity and low-power constraints of current Wireless Sensor Networks (WSN) require efficient methodologies for network simulation and embedded software performance analysis of nodes. In addition, security is also a very important feature that has to be addressed in most WSNs, since they may work with sensitive data and operate in hostile unattended environments. In this paper, a methodology for security analysis of Wireless Sensor Networks is presented. The methodology allows designing attack-aware embedded software/firmware or attack countermeasures to provide security in WSNs. The proposed methodology includes attacker modeling and attack simulation with performance analysis (node's software execution time and power consumption estimation). After an analysis of different WSN attack types, an attacker model is proposed. This model defines three different types of attackers that can emulate most WSN attacks. In addition, this paper presents a virtual platform that is able to model the node hardware, embedded software and basic wireless channel features. This virtual simulation analyzes the embedded software behavior and node power consumption while it takes into account the network deployment and topology. Additionally, this simulator integrates the previously mentioned attacker model. Thus, the impact of attacks on power consumption and software behavior/execution-time can be analyzed. This provides developers with essential information about the effects that one or multiple attacks could have on the network, helping them to develop more secure WSN systems. This WSN attack simulator is an essential element of the attack-aware embedded software development methodology that is also introduced in this work.

Electron Scale Turbulence and Transport in an NSTX H-mode Plasma Using a Synthetic Diagnostic for High-k Scattering Measurements

NASA Astrophysics Data System (ADS)

Ruiz Ruiz, Juan; Guttenfelder, Walter; Loureiro, Nuno; Ren, Yang; White, Anne; MIT/PPPL Collaboration

2017-10-01

Turbulent fluctuations on the electron gyro-radius length scale are thought to cause anomalous transport of electron energy in spherical tokamaks such as NSTX and MAST in some parametric regimes. In NSTX, electron-scale turbulence is studied through a combination of experimental measurements from a high-k scattering system and gyrokinetic simulations. Until now most comparisons between experiment and simulation of electron scale turbulence have been qualitative, with recent work expanding to more quantitative comparisons via synthetic diagnostic development. In this new work, we propose two alternate, complementary ways to perform a synthetic diagnostic using the gyrokinetic code GYRO. The first approach builds on previous work and is based on the traditional selection of wavenumbers using a wavenumber filter, for which a new wavenumber mapping was implemented for general axisymmetric geometry. A second alternate approach selects wavenumbers in real-space to compute the power spectra. These approaches are complementary, and recent results from both synthetic diagnostic approaches applied to NSTX plasmas will be presented. Work supported by U.S. DOE contracts DE-AC02-09CH11466 and DE-AC02-05CH11231.

Fuel Cycle Research & Development Technical Monthly-March 2012

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

Miller, Michael C.

2012-05-10

Several MPACT BCPs were executed in February, reflecting the shift in MPACT priorities directed late last year. Work continued on the FY2014 IPL, also bringing it in line with the new priorities. Preparations were made for the March MPACT Working Group meeting, in conjunction with Savannah River which is hosting the meeting. Steps were taken to initiate a new project with the World Institute for Nuclear Security, including discussions with WINS staff and preliminary work on the required procurement documentation. Several hardware issues were worked through. The newest detector array is working at LANL. A thorough analysis of previously collectedmore » Pu sample data using recently developed analysis code with improved spectral energy calibrations was completed. We now have a significantly better understanding of measurement uncertainties. Post-test analyses of the salt and sensor material for the first sensor test are almost complete. Sensor testing with different arrangements will continue and will be oriented based on post-test analysis of the first sensor test. Sensor materials for the next couple of tests are being fabricated. Materials with different annealing temperatures are being prepared for analysis. Fast Neutron Imaging to Quantify Nuclear Materials - The imager detectors repairs are complete and work with the imager is under way. The milestone requiring a report on LANSCE experiments was completed and submitted. Analysis of previous experiments and comparisons to simulations is near complete. Results are being compared with previous LANSCE-LSDS and RPI results. Additional data library (TENDL) is also being checked to see whether there are differences in the simulation results. The mid-year MIP Monitor project accomplishments and progress was presented at the MPACT meeting held in March at SRNL. Discussions around the meeting included inquiries into the feasibility of collecting process measurement data at H-Canyon, and it was explored further after the meeting. Kenneth Dayman, the graduate student from University of Texas, completed an initial draft of his master's thesis. His research will contribute to the multivariate classifier currently under development. Sarah Bender, the graduate student from Pennsylvania State University, presented her work on a poster and in a conference paper at the MARC IX meeting. A mass balance flowsheet for the fast reactor fuel was completed and a model simulation is scheduled to begin construction next month. The development of a mass balance flowsheet for light water reactor fuel will predict the behavior of the separation process using mathematical functions. The completed flowsheet will be utilized as the basis for constructing the model simulation for the electrochemical separations. Comments and review of the model from the MPACT Working Group meeting have been used to evaluate updates to the EChem model. A preliminary physical security layout has been developed in ATLAS. Thermal stability tests for high temperature microfluidic interconnections were completed on all compounds tested for bonding strength. An interconnection strategy was determined based on these results that we expect will allow for operation at 400C in the first generation of sampling systems. Design of the sampling system using the chosen interconnections was initiated, with handoff to an external foundry for fabrication based on ANL specified process conditions expected by the middle of the month. Monte Carlo simulations of the sampling system were conducted under conditions of realistic sampling size distributions, electrorefiner inhomogeneity distributions, and detector efficiencies. These simulations were used to establish a baseline limit of detection for system operation, assuming an on-line separation step is conducted before detection. Sensor for measuring density and depth of molten electrolyte - The procurement effort continued. 80% of the components ordered to assemble the double bubbler have arrived at the INL. Pratap Sadasivan, and his team have been working on the new metrics for proliferation and security. They have defined the basic structure and method, implementation strategy, needed data, and approach to application. Initial drafting of several sections of the milestone document was started. The MPACT Working Group meeting was hosted at SRS on March 13-15, 2012. Approximately 65 researchers from national labs, industry and universities attended the technical meetings at the Center for Hydrogen Research on March 13-14 with a working lunch each day. 37 persons participated in a site tour, including H-Canyon and the MOX Facility, on March 15. As part of the WG meeting, a presentation by SRNL was given on H-Canyon history, capabilities and opportunities for its use as an MPACT technology test bed. Used fuels storage security analysis, guidance and best practices - Coordination discussions continued for the MPACT used fuel security work packages.« less

Accuracy of Monte Carlo simulations compared to in-vivo MDCT dosimetry.

PubMed

Bostani, Maryam; Mueller, Jonathon W; McMillan, Kyle; Cody, Dianna D; Cagnon, Chris H; DeMarco, John J; McNitt-Gray, Michael F

2015-02-01

The purpose of this study was to assess the accuracy of a Monte Carlo simulation-based method for estimating radiation dose from multidetector computed tomography (MDCT) by comparing simulated doses in ten patients to in-vivo dose measurements. MD Anderson Cancer Center Institutional Review Board approved the acquisition of in-vivo rectal dose measurements in a pilot study of ten patients undergoing virtual colonoscopy. The dose measurements were obtained by affixing TLD capsules to the inner lumen of rectal catheters. Voxelized patient models were generated from the MDCT images of the ten patients, and the dose to the TLD for all exposures was estimated using Monte Carlo based simulations. The Monte Carlo simulation results were compared to the in-vivo dose measurements to determine accuracy. The calculated mean percent difference between TLD measurements and Monte Carlo simulations was -4.9% with standard deviation of 8.7% and a range of -22.7% to 5.7%. The results of this study demonstrate very good agreement between simulated and measured doses in-vivo. Taken together with previous validation efforts, this work demonstrates that the Monte Carlo simulation methods can provide accurate estimates of radiation dose in patients undergoing CT examinations.

WEST-3 wind turbine simulator development. Volume 2: Verification

NASA Technical Reports Server (NTRS)

Sridhar, S.

1985-01-01

The details of a study to validate WEST-3, a new time wind turbine simulator developed by Paragib Pacific Inc., are presented in this report. For the validation, the MOD-0 wind turbine was simulated on WEST-3. The simulation results were compared with those obtained from previous MOD-0 simulations, and with test data measured during MOD-0 operations. The study was successful in achieving the major objective of proving that WEST-3 yields results which can be used to support a wind turbine development process. The blade bending moments, peak and cyclic, from the WEST-3 simulation correlated reasonably well with the available MOD-0 data. The simulation was also able to predict the resonance phenomena observed during MOD-0 operations. Also presented in the report is a description and solution of a serious numerical instability problem encountered during the study. The problem was caused by the coupling of the rotor and the power train models. The results of the study indicate that some parts of the existing WEST-3 simulation model may have to be refined for future work; specifically, the aerodynamics and procedure used to couple the rotor model with the tower and the power train models.

Intercomparison of 3D pore-scale flow and solute transport simulation methods

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

Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.

2016-09-01

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include methods that 1) explicitly model the three-dimensional geometry of pore spaces and 2) those that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of class 1, based on direct numerical simulation using computational fluid dynamics (CFD) codes, against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of class 1 based on the immersed-boundary method (IMB),more » lattice Boltzmann method (LBM), smoothed particle hydrodynamics (SPH), as well as a model of class 2 (a pore-network model or PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and nonreactive solute transport, and intercompare the model results with previously reported experimental observations. Experimental observations are limited to measured pore-scale velocities, so solute transport comparisons are made only among the various models. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations).« less

Electronic structure of lanthanide scandates

NASA Astrophysics Data System (ADS)

Mizzi, Christopher A.; Koirala, Pratik; Marks, Laurence D.

2018-02-01

X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and density functional theory calculations were used to study the electronic structure of three lanthanide scandates: GdSc O3,TbSc O3 , and DySc O3 . X-ray photoelectron spectra simulated from first-principles calculations using a combination of on-site hybrid and GGA +U methods were found to be in good agreement with experimental x-ray photoelectron spectra. The hybrid method was used to model the ground state electronic structure and the GGA +U method accounted for the shift of valence state energies due to photoelectron emission via a Slater-Janak transition state approach. From these results, the lanthanide scandate valence bands were determined to be composed of Ln 4 f ,O 2 p , and Sc 3 d states, in agreement with previous work. However, contrary to previous work the minority Ln 4 f states were found to be located closer to, and in some cases at, the valence band maximum. This suggests that minority Ln 4 f electrons may play a larger role in lanthanide scandate properties than previously thought.

Re-evaluation of rhodopsin's relaxation kinetics determined from femtosecond stimulated Raman lineshapes.

PubMed

McCamant, David W

2011-07-28

This work presents a theoretical treatment of the vibrational line shape generated in a femtosecond stimulated Raman spectroscopy (FSRS) experiment under conditions in which the probed vibration undergoes a significant frequency shift during its free induction decay. This theory is applied to simulate the FSRS lineshapes previously observed in rhodopsin (Kukura et al. Science 2005, 310, 1006). The previously determined relaxation times for formation of the trans-photoproduct of rhodopsin were calculated using an incorrect equation for the time dependence of the observed frequency shifts. Here the data are reanalyzed by calculation of the corrected frequency sweep occurring during the vibrational free induction decay. It is shown that the calculated frequency shifts and general conclusions of the original work are sound but that the coherent vibrational frequency shifts of the C(10), C(11), and C(12) hydrogen-out-of-plane vibrations occur with a 140 fs time constant rather than the previously reported 325 fs time constant. This time constant provides an important constraint for models of the dynamics of the cis to trans isomerization process. © 2011 American Chemical Society

TOPAS Tool for Particle Simulation

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

Perl, Joseph

2013-05-30

TOPAS lets users simulate the passage of subatomic particles moving through any kind of radiation therapy treatment system, can import a patient geometry, can record dose and other quantities, has advanced graphics, and is fully four-dimensional (3D plus time) to handle the most challenging time-dependent aspects of modern cancer treatments.TOPAS unlocks the power of the most accurate particle transport simulation technique, the Monte Carlo (MC) method, while removing the painstaking coding work such methods used to require. Research physicists can use TOPAS to improve delivery systems towards safer and more effective radiation therapy treatments, easily setting up and running complexmore » simulations that previously used to take months of preparation. Clinical physicists can use TOPAS to increase accuracy while reducing side effects, simulating patient-specific treatment plans at the touch of a button. TOPAS is designed as a “user code” layered on top of the Geant4 Simulation Toolkit. TOPAS includes the standard Geant4 toolkit, plus additional code to make Geant4 easier to control and to extend Geant4 functionality. TOPAS aims to make proton simulation both “reliable” and “repeatable.” “Reliable” means both accurate physics and a high likelihood to simulate precisely what the user intended to simulate, reducing issues of wrong units, wrong materials, wrong scoring locations, etc. “Repeatable” means not just getting the same result from one simulation to another, but being able to easily restore a previously used setup and reducing sources of error when a setup is passed from one user to another. TOPAS control system incorporates key lessons from safety management, proactively removing possible sources of user error such as line-ordering mistakes In control files. TOPAS has been used to model proton therapy treatment examples including the UCSF eye treatment head, the MGH stereotactic alignment in radiosurgery treatment head and the MGH gantry treatment heads in passive scattering and scanning modes, and has demonstrated dose calculation based on patient-specific CT data.« less

Constraining the noise-free distribution of halo spin parameters

NASA Astrophysics Data System (ADS)

Benson, Andrew J.

2017-11-01

Any measurement made using an N-body simulation is subject to noise due to the finite number of particles used to sample the dark matter distribution function, and the lack of structure below the simulation resolution. This noise can be particularly significant when attempting to measure intrinsically small quantities, such as halo spin. In this work, we develop a model to describe the effects of particle noise on halo spin parameters. This model is calibrated using N-body simulations in which the particle noise can be treated as a Poisson process on the underlying dark matter distribution function, and we demonstrate that this calibrated model reproduces measurements of halo spin parameter error distributions previously measured in N-body convergence studies. Utilizing this model, along with previous measurements of the distribution of halo spin parameters in N-body simulations, we place constraints on the noise-free distribution of halo spins. We find that the noise-free median spin is 3 per cent lower than that measured directly from the N-body simulation, corresponding to a shift of approximately 40 times the statistical uncertainty in this measurement arising purely from halo counting statistics. We also show that measurement of the spin of an individual halo to 10 per cent precision requires at least 4 × 104 particles in the halo - for haloes containing 200 particles, the fractional error on spins measured for individual haloes is of order unity. N-body simulations should be viewed as the results of a statistical experiment applied to a model of dark matter structure formation. When viewed in this way, it is clear that determination of any quantity from such a simulation should be made through forward modelling of the effects of particle noise.

Parametric Simulations of the Great Dark Spots of Neptune

NASA Astrophysics Data System (ADS)

Deng, Xiaolong; Le Beau, R.

2006-09-01

Observations by Voyager II and the Hubble Space Telescope of the Great Dark Spots (GDS) of Neptune suggest that large vortices with lifespans of years are not uncommon occurrences in the atmosphere of Neptune. The variability of these features over time, in particular the complex motions of GDS-89, make them challenging candidates to simulate in atmospheric models. Previously, using the Explicit Planetary Isentropic-Coordinate (EPIC) General Circulation Model, LeBeau and Dowling (1998) simulated the GDS-like vortex features. Qualitatively, the drift, oscillation, and tail-like features of GDS-89 were recreated, although precise numerical matches were only achieved for the meridional drift rate. In 2001, Stratman et al. applied EPIC to simulate the formation of bright companion clouds to the Great Dark Spots. In 2006, Dowling et al. presented a new version of EPIC, which includes hybrid vertical coordinate, cloud physics, advanced chemistry, and new turbulence models. With the new version of EPIC, more observation results, and more powerful computers, it is the time to revisit CFD simulations of the Neptune's atmosphere and do more detailed work on GDS-like vortices. In this presentation, we apply the new version of EPIC to simulate GDS-89. We test the influences of different parameters in the EPIC model: potential vorticity gradient, wind profile, initial latitude, vortex shape, and vertical structure. The observed motions, especially the latitudinal drift and oscillations in orientation angle and aspect ratio, are used as diagnostics of these unobserved atmospheric conditions. Increased computing power allows for more refined and longer simulations and greater coverage of the parameter space than previous efforts. Improved quantitative results have been achieved, including voritices with near eight-day oscillations and comparable variations in shape to GDS-89. This research has been supported by Kentucky NASA EPSCoR.

Development of a Research Reactor Protocol for Neutron Multiplication Measurements

DOE PAGES

Arthur, Jennifer Ann; Bahran, Rian Mustafa; Hutchinson, Jesson D.; ...

2018-03-20

A new series of subcritical measurements has been conducted at the zero-power Walthousen Reactor Critical Facility (RCF) at Rensselaer Polytechnic Institute (RPI) using a 3He neutron multiplicity detector. The Critical and Subcritical 0-Power Experiment at Rensselaer (CaSPER) campaign establishes a protocol for advanced subcritical neutron multiplication measurements involving research reactors for validation of neutron multiplication inference techniques, Monte Carlo codes, and associated nuclear data. There has been increased attention and expanded efforts related to subcritical measurements and analyses, and this work provides yet another data set at known reactivity states that can be used in the validation of state-of-the-art Montemore » Carlo computer simulation tools. The diverse (mass, spatial, spectral) subcritical measurement configurations have been analyzed to produce parameters of interest such as singles rates, doubles rates, and leakage multiplication. MCNP ®6.2 was used to simulate the experiment and the resulting simulated data has been compared to the measured results. Comparison of the simulated and measured observables (singles rates, doubles rates, and leakage multiplication) show good agreement. This work builds upon the previous years of collaborative subcritical experiments and outlines a protocol for future subcritical neutron multiplication inference and subcriticality monitoring measurements on pool-type reactor systems.« less

Long-time dynamics through parallel trajectory splicing

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

Perez, Danny; Cubuk, Ekin D.; Waterland, Amos

2015-11-24

Simulating the atomistic evolution of materials over long time scales is a longstanding challenge, especially for complex systems where the distribution of barrier heights is very heterogeneous. Such systems are difficult to investigate using conventional long-time scale techniques, and the fact that they tend to remain trapped in small regions of configuration space for extended periods of time strongly limits the physical insights gained from short simulations. We introduce a novel simulation technique, Parallel Trajectory Splicing (ParSplice), that aims at addressing this problem through the timewise parallelization of long trajectories. The computational efficiency of ParSplice stems from a speculation strategymore » whereby predictions of the future evolution of the system are leveraged to increase the amount of work that can be concurrently performed at any one time, hence improving the scalability of the method. ParSplice is also able to accurately account for, and potentially reuse, a substantial fraction of the computational work invested in the simulation. We validate the method on a simple Ag surface system and demonstrate substantial increases in efficiency compared to previous methods. As a result, we then demonstrate the power of ParSplice through the study of topology changes in Ag 42Cu 13 core–shell nanoparticles.« less

Modelling of Dispersed Gas-Liquid Flow using LBGK and LPT Approach

NASA Astrophysics Data System (ADS)

Agarwal, Alankar; Prakash, Akshay; Ravindra, B.

2017-11-01

The dynamics of gas bubbles play a significant, if not crucial, role in a large variety of industrial process that involves using reactors. Many of these processes are still not well understood in terms of optimal scale-up strategies.An accurate modeling of bubbles and bubble swarms become important for high fidelity bioreactor simulations. This study is a part of the development of robust bubble fluid interaction modules for simulation of industrial-scale reactors. The work presents the simulation of a single bubble rising in a quiescent water tank using current models presented in the literature for bubble-fluid interaction. In this multiphase benchmark problem, the continuous phase (water) is discretized using the Lattice Bhatnagar-Gross and Krook (LBGK) model of Lattice Boltzmann Method (LBM), while the dispersed gas phase (i.e. air-bubble) modeled with the Lagrangian particle tracking (LPT) approach. The cheap clipped fourth order polynomial function is used to model the interaction between two phases. The model is validated by comparing the simulation results for terminal velocity of a bubble at varying bubble diameter and the influence of bubble motion in liquid velocity with the theoretical and previously available experimental data. This work is supported by the ``Centre for Development of Advanced Computing (C-DAC), Pune'' by providing the advanced computational facility in PARAM Yuva-II.

Development of a Research Reactor Protocol for Neutron Multiplication Measurements

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

Arthur, Jennifer Ann; Bahran, Rian Mustafa; Hutchinson, Jesson D.

A new series of subcritical measurements has been conducted at the zero-power Walthousen Reactor Critical Facility (RCF) at Rensselaer Polytechnic Institute (RPI) using a 3He neutron multiplicity detector. The Critical and Subcritical 0-Power Experiment at Rensselaer (CaSPER) campaign establishes a protocol for advanced subcritical neutron multiplication measurements involving research reactors for validation of neutron multiplication inference techniques, Monte Carlo codes, and associated nuclear data. There has been increased attention and expanded efforts related to subcritical measurements and analyses, and this work provides yet another data set at known reactivity states that can be used in the validation of state-of-the-art Montemore » Carlo computer simulation tools. The diverse (mass, spatial, spectral) subcritical measurement configurations have been analyzed to produce parameters of interest such as singles rates, doubles rates, and leakage multiplication. MCNP ®6.2 was used to simulate the experiment and the resulting simulated data has been compared to the measured results. Comparison of the simulated and measured observables (singles rates, doubles rates, and leakage multiplication) show good agreement. This work builds upon the previous years of collaborative subcritical experiments and outlines a protocol for future subcritical neutron multiplication inference and subcriticality monitoring measurements on pool-type reactor systems.« less

Efficient and Extensible Quasi-Explicit Modular Nonlinear Multiscale Battery Model: GH-MSMD

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

Kim, Gi-Heon; Smith, Kandler; Lawrence-Simon, Jake

Complex physics and long computation time hinder the adoption of computer aided engineering models in the design of large-format battery cells and systems. A modular, efficient battery simulation model -- the multiscale multidomain (MSMD) model -- was previously introduced to aid the scale-up of Li-ion material and electrode designs to complete cell and pack designs, capturing electrochemical interplay with 3-D electronic current pathways and thermal response. Here, this paper enhances the computational efficiency of the MSMD model using a separation of time-scales principle to decompose model field variables. The decomposition provides a quasi-explicit linkage between the multiple length-scale domains andmore » thus reduces time-consuming nested iteration when solving model equations across multiple domains. In addition to particle-, electrode- and cell-length scales treated in the previous work, the present formulation extends to bus bar- and multi-cell module-length scales. We provide example simulations for several variants of GH electrode-domain models.« less

Efficient and Extensible Quasi-Explicit Modular Nonlinear Multiscale Battery Model: GH-MSMD

DOE PAGES

Kim, Gi-Heon; Smith, Kandler; Lawrence-Simon, Jake; ...

2017-03-24

Complex physics and long computation time hinder the adoption of computer aided engineering models in the design of large-format battery cells and systems. A modular, efficient battery simulation model -- the multiscale multidomain (MSMD) model -- was previously introduced to aid the scale-up of Li-ion material and electrode designs to complete cell and pack designs, capturing electrochemical interplay with 3-D electronic current pathways and thermal response. Here, this paper enhances the computational efficiency of the MSMD model using a separation of time-scales principle to decompose model field variables. The decomposition provides a quasi-explicit linkage between the multiple length-scale domains andmore » thus reduces time-consuming nested iteration when solving model equations across multiple domains. In addition to particle-, electrode- and cell-length scales treated in the previous work, the present formulation extends to bus bar- and multi-cell module-length scales. We provide example simulations for several variants of GH electrode-domain models.« less

Preferential sites for InAsP/InP quantum wire nucleation using molecular dynamics

NASA Astrophysics Data System (ADS)

Nuñez-Moraleda, Bernardo; Pizarro, Joaquin; Guerrero, Elisa; Guerrero-Lebrero, Maria P.; Yáñez, Andres; Molina, Sergio Ignacio; Galindo, Pedro Luis

2014-11-01

In this paper, stress fields at the surface of the capping layer of self-assembled InAsP quantum wires grown on an InP (001) substrate have been determined from atomistic models using molecular dynamics and Stillinger-Weber potentials. To carry out these calculations, the quantum wire compositional distribution was extracted from previous works, where the As and P distributions were determined by electron energy loss spectroscopy and high-resolution aberration-corrected Z-contrast imaging. Preferential sites for the nucleation of wires on the surface of the capping layer were studied and compared with (i) previous simulations using finite element analysis to solve anisotropic elastic theory equations and (ii) experimentally measured locations of stacked wires. Preferential nucleation sites of stacked wires were determined by the maximum stress location at the MD model surface in good agreement with experimental results and those derived from finite element analysis. This indicates that MD simulations based on empirical potentials provide a suitable and flexible tool to study strain dependent atom processes.

Active Galactic Nucleus Feedback in an Isolated Elliptical Galaxy: The Effect of Strong Radiative Feedback in the Kinetic Mode

NASA Astrophysics Data System (ADS)

Gan, Zhaoming; Yuan, Feng; Ostriker, Jeremiah P.; Ciotti, Luca; Novak, Gregory S.

2014-07-01

Based on two-dimensional high-resolution hydrodynamic numerical simulation, we study the mechanical and radiative feedback effects from the central active galactic nucleus (AGN) on the cosmological evolution of an isolated elliptical galaxy. The inner boundary of the simulation domain is carefully chosen so that the fiducial Bondi radius is resolved and the accretion rate of the black hole is determined self-consistently. It is well known that when the accretion rates are high and low, the central AGNs will be in cold and hot accretion modes, which correspond to the radiative and kinetic feedback modes, respectively. The emitted spectrum from the hot accretion flows is harder than that from the cold accretion flows, which could result in a higher Compton temperature accompanied by a more efficient radiative heating, according to previous theoretical works. Such a difference of the Compton temperature between the two feedback modes, the focus of this study, has been neglected in previous works. Significant differences in the kinetic feedback mode are found as a result of the stronger Compton heating. More importantly, if we constrain models to correctly predict black hole growth and AGN duty cycle after cosmological evolution, we find that the favored model parameters are constrained: mechanical feedback efficiency diminishes with decreasing luminosity (the maximum efficiency being ~= 10-3.5), and X-ray Compton temperature increases with decreasing luminosity, although models with fixed mechanical efficiency and Compton temperature can be found that are satisfactory as well. We conclude that radiative feedback in the kinetic mode is much more important than previously thought.

Advanced End-to-end Simulation for On-board Processing (AESOP)

NASA Technical Reports Server (NTRS)

Mazer, Alan S.

1994-01-01

Developers of data compression algorithms typically use their own software together with commercial packages to implement, evaluate and demonstrate their work. While convenient for an individual developer, this approach makes it difficult to build on or use another's work without intimate knowledge of each component. When several people or groups work on different parts of the same problem, the larger view can be lost. What's needed is a simple piece of software to stand in the gap and link together the efforts of different people, enabling them to build on each other's work, and providing a base for engineers and scientists to evaluate the parts as a cohesive whole and make design decisions. AESOP (Advanced End-to-end Simulation for On-board Processing) attempts to meet this need by providing a graphical interface to a developer-selected set of algorithms, interfacing with compiled code and standalone programs, as well as procedures written in the IDL and PV-Wave command languages. As a proof of concept, AESOP is outfitted with several data compression algorithms integrating previous work on different processors (AT&T DSP32C, TI TMS320C30, SPARC). The user can specify at run-time the processor on which individual parts of the compression should run. Compressed data is then fed through simulated transmission and uncompression to evaluate the effects of compression parameters, noise and error correction algorithms. The following sections describe AESOP in detail. Section 2 describes fundamental goals for usability. Section 3 describes the implementation. Sections 4 through 5 describe how to add new functionality to the system and present the existing data compression algorithms. Sections 6 and 7 discuss portability and future work.

Exact simulation of integrate-and-fire models with exponential currents.

PubMed

Brette, Romain

2007-10-01

Neural networks can be simulated exactly using event-driven strategies, in which the algorithm advances directly from one spike to the next spike. It applies to neuron models for which we have (1) an explicit expression for the evolution of the state variables between spikes and (2) an explicit test on the state variables that predicts whether and when a spike will be emitted. In a previous work, we proposed a method that allows exact simulation of an integrate-and-fire model with exponential conductances, with the constraint of a single synaptic time constant. In this note, we propose a method, based on polynomial root finding, that applies to integrate-and-fire models with exponential currents, with possibly many different synaptic time constants. Models can include biexponential synaptic currents and spike-triggered adaptation currents.

Gearbox damage identification and quantification using stochastic resonance

NASA Astrophysics Data System (ADS)

Mba, Clement U.; Marchesiello, Stefano; Fasana, Alessandro; Garibaldi, Luigi

2018-03-01

Amongst the many new tools used for vibration based mechanical fault diagnosis in rotating machineries, stochastic resonance (SR) has been shown to be able to identify as well as quantify gearbox damage via numerical simulations. To validate the numerical simulation results that were obtained in a previous work by the authors, SR is applied in the present study to data from an experimental gearbox that is representative of an industrial gearbox. Both spur and helical gears are used in the gearbox setup. While the results of the direct application of SR to experimental data do not exactly corroborate the numerical simulation results, applying SR to experimental data in pre-processed form is shown to be quite effective. In addition, it is demonstrated that traditional statistical techniques used for gearbox diagnosis can be used as a reference to check how well SR performs.

Structural, thermodynamic, and electrical properties of polar fluids and ionic solutions on a hypersphere: Theoretical aspects

NASA Astrophysics Data System (ADS)

Caillol, J. M.

1992-01-01

We generalize previous work [J. Chem. Phys. 94, 597 (1991)] on an alternative to the Ewald method for the numerical simulations of Coulomb fluids. This new method consists in using as a simulation cell the three-dimensional surface of a four-dimensional sphere, or hypersphere. Here, we consider the case of polar fluids and electrolyte solutions. We derive all the formal expressions which are needed for numerical simulations of such systems. It includes a derivation of the multipolar interactions on a hypersphere, the expansion of the pair-correlation functions on rotational invariants, the expression of the static dielectric constant of a polar liquid, the expressions of the frequency-dependent conductivity and dielectric constant of an ionic solution, and the derivation of the Stillinger-Lovett sum rules for conductive systems.

Fuzzy Logic Based Control for Autonomous Mobile Robot Navigation

PubMed Central

Masmoudi, Mohamed Slim; Masmoudi, Mohamed

2016-01-01

This paper describes the design and the implementation of a trajectory tracking controller using fuzzy logic for mobile robot to navigate in indoor environments. Most of the previous works used two independent controllers for navigation and avoiding obstacles. The main contribution of the paper can be summarized in the fact that we use only one fuzzy controller for navigation and obstacle avoidance. The used mobile robot is equipped with DC motor, nine infrared range (IR) sensors to measure the distance to obstacles, and two optical encoders to provide the actual position and speeds. To evaluate the performances of the intelligent navigation algorithms, different trajectories are used and simulated using MATLAB software and SIMIAM navigation platform. Simulation results show the performances of the intelligent navigation algorithms in terms of simulation times and travelled path. PMID:27688748

Using Palm Technology in Participatory Simulations of Complex Systems: A New Take on Ubiquitous and Accessible Mobile Computing

NASA Astrophysics Data System (ADS)

Klopfer, Eric; Yoon, Susan; Perry, Judy

2005-09-01

This paper reports on teachers' perceptions of the educational affordances of a handheld application called Participatory Simulations. It presents evidence from five cases representing each of the populations who work with these computational tools. Evidence across multiple data sources yield similar results to previous research evaluations of handheld activities with respect to enhancing motivation, engagement and self-directed learning. Three additional themes are discussed that provide insight into understanding curricular applicability of Participatory Simulations that suggest a new take on ubiquitous and accessible mobile computing. These themes generally point to the multiple layers of social and cognitive flexibility intrinsic to their design: ease of adaptation to subject-matter content knowledge and curricular integration; facility in attending to teacher-individualized goals; and encouraging the adoption of learner-centered strategies.

Optimization as a Tool for Consistency Maintenance in Multi-Resolution Simulation

NASA Technical Reports Server (NTRS)

Drewry, Darren T; Reynolds, Jr , Paul F; Emanuel, William R

2006-01-01

The need for new approaches to the consistent simulation of related phenomena at multiple levels of resolution is great. While many fields of application would benefit from a complete and approachable solution to this problem, such solutions have proven extremely difficult. We present a multi-resolution simulation methodology that uses numerical optimization as a tool for maintaining external consistency between models of the same phenomena operating at different levels of temporal and/or spatial resolution. Our approach follows from previous work in the disparate fields of inverse modeling and spacetime constraint-based animation. As a case study, our methodology is applied to two environmental models of forest canopy processes that make overlapping predictions under unique sets of operating assumptions, and which execute at different temporal resolutions. Experimental results are presented and future directions are addressed.

Numerical and Experimental Investigation of Confined Turbulent Multiple Transverse Jets (Briefing Charts)

DTIC Science & Technology

2014-07-29

14.3. The momentum and scalar mixing is investigated through the solution of the Reynolds-Averaged Navier Stokes (RANS) equations. The mean scalar...demonstrated symmetry , only a one-half section of the geometry is considered. All numerical simulations capture salient flow structures such as the counter...distribution unlimited Symmetry Plane Walls Diluents’ Inlet Vy = 100 m/s Previous Numerical Work at AFRL: Air-to-Air Experimental Configuration

Hysteresis and thermal limit cycles in MRI simulations of accretion discs

NASA Astrophysics Data System (ADS)

Latter, H. N.; Papaloizou, J. C. B.

2012-10-01

The recurrentoutbursts that characterize low-mass binary systems reflect thermal state changes in their associated accretion discs. The observed outbursts are connected to the strong variation in disc opacity as hydrogen ionizes near 5000 K. This physics leads to accretion disc models that exhibit bistability and thermal limit cycles, whereby the disc jumps between a family of cool and low-accreting states and a family of hot and efficiently accreting states. Previous models have parametrized the disc turbulence via an alpha (or 'eddy') viscosity. In this paper we treat the turbulence more realistically via a suite of numerical simulations of the magnetorotational instability (MRI) in local geometry. Radiative cooling is included via a simple but physically motivated prescription. We show the existence of bistable equilibria and thus the prospect of thermal limit cycles, and in so doing demonstrate that MRI-induced turbulence is compatible with the classical theory. Our simulations also show that the turbulent stress and pressure perturbations are only weakly dependent on each other on orbital times; as a consequence, thermal instability connected to variations in turbulent heating (as opposed to radiative cooling) is unlikely to operate, in agreement with previous numerical results. Our work presents a first step towards unifying simulations of full magnetohydrodynamic turbulence with the correct thermal and radiative physics of the outbursting discs associated with dwarf novae, low-mass X-ray binaries and possibly young stellar objects.

Large Scale Brownian Dynamics of Confined Suspensions of Rigid Particles

NASA Astrophysics Data System (ADS)

Donev, Aleksandar; Sprinkle, Brennan; Balboa, Florencio; Patankar, Neelesh

2017-11-01

We introduce new numerical methods for simulating the dynamics of passive and active Brownian colloidal suspensions of particles of arbitrary shape sedimented near a bottom wall. The methods also apply for periodic (bulk) suspensions. Our methods scale linearly in the number of particles, and enable previously unprecedented simulations of tens to hundreds of thousands of particles. We demonstrate the accuracy and efficiency of our methods on a suspension of boomerang-shaped colloids. We also model recent experiments on active dynamics of uniform suspensions of spherical microrollers. This work was supported in part by the National Science Foundation under award DMS-1418706, and by the U.S. Department of Energy under award DE-SC0008271.

Development of High-Resolution UV-VIS Diagnostics for Space Plasma Simulation

NASA Astrophysics Data System (ADS)

Taylor, Andrew; Batishchev, Oleg

2012-10-01

Non-invasive far-UV-VIS plasma emission allows remote diagnostics of plasma, which is particularly important for space application. Accurate vacuum tank space plasma simulations require monochromators with high spectral resolution (better than 0.01A) to capture important details of atomic and ionic lines, such as Ly-alpha, etc. We are building a new system based on the previous work [1], and will discuss the development of a spectrometry system that combines a single-pass vacuum far-UV-NIR spectrometer and a tunable Fabry-Perot etalon. [4pt] [1] O. Batishchev and J.L. Cambier, Experimental Study of the Mini-Helicon Thruster, Air Force Research Laboratory Report, AFRL-RZ-ED-TR-2009-0020, 2009.

The photoelectric effect and study of the diffraction of light: Two new experiments in UNILabs virtual and remote laboratories network

NASA Astrophysics Data System (ADS)

Pedro Sánchez, Juan; Sáenz, Jacobo; de la Torre, Luis; Carreras, Carmen; Yuste, Manuel; Heradio, Rubén; Dormido, Sebastián

2016-05-01

This work describes two experiments: "study of the diffraction of light: Fraunhofer approximation" and "the photoelectric effect". Both of them count with a virtual, simulated, version of the experiment as well as with a real one which can be operated remotely. The two previous virtual and remote labs (built using Easy Java(script) Simulations) are integrated in UNILabs, a network of online interactive laboratories based on the free Learning Management System Moodle. In this web environment, students can find not only the virtual and remote labs but also manuals with related theory, the user interface description for each application, and so on.

Sputtering of Lunar Regolith by Solar Wind Protons and Heavy Ions, and General Aspects of Potential Sputtering

NASA Technical Reports Server (NTRS)

Alnussirat, S. T.; Sabra, M. S.; Barghouty, A. F.; Rickman, Douglas L.; Meyer, F.

2014-01-01

New simulation results for the sputtering of lunar soil surface by solar-wind protons and heavy ions will be presented. Previous simulation results showed that the sputtering process has significant effects and plays an important role in changing the surface chemical composition, setting the erosion rate and the sputtering process timescale. In this new work and in light of recent data, we briefly present some theoretical models which have been developed to describe the sputtering process and compare their results with recent calculation to investigate and differentiate the roles and the contributions of potential (or electrodynamic) sputtering from the standard (or kinetic) sputtering.

Inverse modeling of ground surface uplift and pressure with iTOUGH-PEST and TOUGH-FLAC: The case of CO2 injection at In Salah, Algeria

NASA Astrophysics Data System (ADS)

Rinaldi, Antonio P.; Rutqvist, Jonny; Finsterle, Stefan; Liu, Hui-Hai

2017-11-01

Ground deformation, commonly observed in storage projects, carries useful information about processes occurring in the injection formation. The Krechba gas field at In Salah (Algeria) is one of the best-known sites for studying ground surface deformation during geological carbon storage. At this first industrial-scale on-shore CO2 demonstration project, satellite-based ground-deformation monitoring data of high quality are available and used to study the large-scale hydrological and geomechanical response of the system to injection. In this work, we carry out coupled fluid flow and geomechanical simulations to understand the uplift at three different CO2 injection wells (KB-501, KB-502, KB-503). Previous numerical studies focused on the KB-502 injection well, where a double-lobe uplift pattern has been observed in the ground-deformation data. The observed uplift patterns at KB-501 and KB-503 have single-lobe patterns, but they can also indicate a deep fracture zone mechanical response to the injection. The current study improves the previous modeling approach by introducing an injection reservoir and a fracture zone, both responding to a Mohr-Coulomb failure criterion. In addition, we model a stress-dependent permeability and bulk modulus, according to a dual continuum model. Mechanical and hydraulic properties are determined through inverse modeling by matching the simulated spatial and temporal evolution of uplift to InSAR observations as well as by matching simulated and measured pressures. The numerical simulations are in agreement with both spatial and temporal observations. The estimated values for the parameterized mechanical and hydraulic properties are in good agreement with previous numerical results. In addition, the formal joint inversion of hydrogeological and geomechanical data provides measures of the estimation uncertainty.

Convergence of methods for coupling of microscopic and mesoscopic reaction-diffusion simulations

NASA Astrophysics Data System (ADS)

Flegg, Mark B.; Hellander, Stefan; Erban, Radek

2015-05-01

In this paper, three multiscale methods for coupling of mesoscopic (compartment-based) and microscopic (molecular-based) stochastic reaction-diffusion simulations are investigated. Two of the three methods that will be discussed in detail have been previously reported in the literature; the two-regime method (TRM) and the compartment-placement method (CPM). The third method that is introduced and analysed in this paper is called the ghost cell method (GCM), since it works by constructing a "ghost cell" in which molecules can disappear and jump into the compartment-based simulation. Presented is a comparison of sources of error. The convergent properties of this error are studied as the time step Δt (for updating the molecular-based part of the model) approaches zero. It is found that the error behaviour depends on another fundamental computational parameter h, the compartment size in the mesoscopic part of the model. Two important limiting cases, which appear in applications, are considered: Δt → 0 and h is fixed; Δt → 0 and h → 0 such that √{ Δt } / h is fixed. The error for previously developed approaches (the TRM and CPM) converges to zero only in the limiting case (ii), but not in case (i). It is shown that the error of the GCM converges in the limiting case (i). Thus the GCM is superior to previous coupling techniques if the mesoscopic description is much coarser than the microscopic part of the model.

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.

Relativistic interpretation of Newtonian simulations for cosmic structure formation

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

Fidler, Christian; Tram, Thomas; Crittenden, Robert

2016-09-01

The standard numerical tools for studying non-linear collapse of matter are Newtonian N -body simulations. Previous work has shown that these simulations are in accordance with General Relativity (GR) up to first order in perturbation theory, provided that the effects from radiation can be neglected. In this paper we show that the present day matter density receives more than 1% corrections from radiation on large scales if Newtonian simulations are initialised before z =50. We provide a relativistic framework in which unmodified Newtonian simulations are compatible with linear GR even in the presence of radiation. Our idea is to usemore » GR perturbation theory to keep track of the evolution of relativistic species and the relativistic space-time consistent with the Newtonian trajectories computed in N -body simulations. If metric potentials are sufficiently small, they can be computed using a first-order Einstein–Boltzmann code such as CLASS. We make this idea rigorous by defining a class of GR gauges, the Newtonian motion gauges, which are defined such that matter particles follow Newtonian trajectories. We construct a simple example of a relativistic space-time within which unmodified Newtonian simulations can be interpreted.« less

Feel, imagine and learn! - Haptic augmented simulation and embodied instruction in physics learning

NASA Astrophysics Data System (ADS)

Han, In Sook

The purpose of this study was to investigate the potentials and effects of an embodied instructional model in abstract concept learning. This embodied instructional process included haptic augmented educational simulation as an instructional tool to provide perceptual experiences as well as further instruction to activate those previous experiences with perceptual simulation. In order to verify the effectiveness of this instructional model, haptic augmented simulation with three different haptic levels (force and kinesthetic, kinesthetic, and non-haptic) and instructional materials (narrative and expository) were developed and their effectiveness tested. 220 fifth grade students were recruited to participate in the study from three elementary schools located in lower SES neighborhoods in Bronx, New York. The study was conducted for three consecutive weeks in regular class periods. The data was analyzed using ANCOVA, ANOVA, and MANOVA. The result indicates that haptic augmented simulations, both the force and kinesthetic and the kinesthetic simulations, was more effective than the non-haptic simulation in providing perceptual experiences and helping elementary students to create multimodal representations about machines' movements. However, in most cases, force feedback was needed to construct a fully loaded multimodal representation that could be activated when the instruction with less sensory modalities was being given. In addition, the force and kinesthetic simulation was effective in providing cognitive grounding to comprehend a new learning content based on the multimodal representation created with enhanced force feedback. Regarding the instruction type, it was found that the narrative and the expository instructions did not make any difference in activating previous perceptual experiences. These findings suggest that it is important to help students to make a solid cognitive ground with perceptual anchor. Also, sequential abstraction process would deepen students' understanding by providing an opportunity to practice their mental simulation by removing sensory modalities used one by one and to gradually reach abstract level of understanding where students can imagine the machine's movements and working mechanisms with only abstract language without any perceptual supports.

The CIELO collaboration: Progress in international evaluations of neutron reactions on Oxygen, Iron, Uranium and Plutonium

DOE PAGES

Chadwick, M. B.; Capote, R.; Trkov, A.; ...

2017-01-01

The CIELO collaboration has studied neutron cross sections on nuclides that significantly impact criticality in nuclear technologies - 16O, 56Fe, 235;8U and 239Pu - with the aim of improving the accuracy of the data and resolving previous discrepancies in our understanding. This multi-laboratory pilot project, coordinated via the OECD/NEA Working Party on Evaluation Cooperation (WPEC) Subgroup 40 with support also from the IAEA, has motivated experimental and theoretical work and led to suites of new evaluated libraries that accurately reflect measured data and also perform well in integral simulations of criticality.

Secondary scattering on the intensity dependence of the capture velocity in a magneto-optical trap

NASA Astrophysics Data System (ADS)

Loos, M. R.; Massardo, S. B.; de S. Zanon, R. A.; de Oliveira, A. L.

2005-08-01

In this work, we consider a three-dimensional model to simulate the capture velocity behavior in a sample of cold-trapped sodium atoms as a function of the trapping laser intensity. We expand on previous work [V. S. Bagnato, L. G. Marcassa, S. G. Miranda, S. R. Muniz, and A. L. de Oliveira, Phys. Rev. A 62, 013404 (2000)] by calculating the capture velocity over a broad range of light intensities considering the secondary scattering in a magneto-optical trap. Our calculations are in a good agreement with recent measured values [S. R. Muniz , Phys. Rev. A 65, 015402 (2001)].

The CIELO collaboration: Progress in international evaluations of neutron reactions on Oxygen, Iron, Uranium and Plutonium

NASA Astrophysics Data System (ADS)

Chadwick, M. B.; Capote, R.; Trkov, A.; Kahler, A. C.; Herman, M. W.; Brown, D. A.; Hale, G. M.; Pigni, M.; Dunn, M.; Leal, L.; Plompen, A.; Schillebeeck, P.; Hambsch, F.-J.; Kawano, T.; Talou, P.; Jandel, M.; Mosby, S.; Lestone, J.; Neudecker, D.; Rising, M.; Paris, M.; Nobre, G. P. A.; Arcilla, R.; Kopecky, S.; Giorginis, G.; Cabellos, O.; Hill, I.; Dupont, E.; Danon, Y.; Jing, Q.; Zhigang, G.; Tingjin, L.; Hanlin, L.; Xichao, R.; Haicheng, W.; Sin, M.; Bauge, E.; Romain, P.; Morillon, B.; Noguere, G.; Jacqmin, R.; Bouland, O.; De Saint Jean, C.; Pronyaev, V. G.; Ignatyuk, A.; Yokoyama, K.; Ishikawa, M.; Fukahori, T.; Iwamoto, N.; Iwamoto, O.; Kuneada, S.; Lubitz, C. R.; Palmiotti, G.; Salvatores, M.; Kodeli, I.; Kiedrowski, B.; Roubtsov, D.; Thompson, I.; Quaglioni, S.; Kim, H. I.; Lee, Y. O.; Koning, A. J.; Carlson, A.; Fischer, U.; Sirakov, I.

2017-09-01

The CIELO collaboration has studied neutron cross sections on nuclides that significantly impact criticality in nuclear technologies - 16O, 56Fe, 235,8U and 239Pu - with the aim of improving the accuracy of the data and resolving previous discrepancies in our understanding. This multi-laboratory pilot project, coordinated via the OECD/NEA Working Party on Evaluation Cooperation (WPEC) Subgroup 40 with support also from the IAEA, has motivated experimental and theoretical work and led to suites of new evaluated libraries that accurately reflect measured data and also perform well in integral simulations of criticality.

Computer modeling of batteries from nonlinear circuit elements

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

Waaben, S.; Dyer, C.K.; Federico, J.

1985-06-01

Circuit analogs for a single battery cell have previously been composed of resistors, capacitors, and inductors. This work introduces a nonlinear circuit model for cell behavior. The circuit is configured around the PIN junction diode, whose charge-storage behavior has features similar to those of electrochemical cells. A user-friendly integrated circuit simulation computer program has reproduced a variety of complex cell responses including electrica isolation effects causing capacity loss, as well as potentiodynamic peaks and discharge phenomena hitherto thought to be thermodynamic in origin. However, in this work, they are shown to be simply due to spatial distribution of stored chargemore » within a practical electrode.« less

Modeling and Simulation of Used Nuclear Fuel During Transportation with Consideration of Hydride Effects and Cyclic Fatigue

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

Chakraborty, Pritam; Sabharwall, Piyush; Spears, Robert Edward

2015-09-30

The objective of this work is to understand the integrity of Used Nuclear Fuel (UNF) during transportation. Previous analysis work has been performed to look at the integrity of UNF during transportation but these analyses have neglected to analyze the effect of hydrides and flaws (fracture mechanics models to capture radial cracking in the cladding). In this study, the clad regions of interest are near the pellet-pellet interfaces. These regions can experience more complex stress-states than the rest of the clad during cooling and have a greater possibility to develop radially reoriented hydrides during vacuum drying.

Discrete Element Modeling (DEM) of Triboelectrically Charged Particles: Revised Experiments

NASA Technical Reports Server (NTRS)

Hogue, Michael D.; Calle, Carlos I.; Curry, D. R.; Weitzman, P. S.

2008-01-01

In a previous work, the addition of basic screened Coulombic electrostatic forces to an existing commercial discrete element modeling (DEM) software was reported. Triboelectric experiments were performed to charge glass spheres rolling on inclined planes of various materials. Charge generation constants and the Q/m ratios for the test materials were calculated from the experimental data and compared to the simulation output of the DEM software. In this paper, we will discuss new values of the charge generation constants calculated from improved experimental procedures and data. Also, planned work to include dielectrophoretic, Van der Waals forces, and advanced mechanical forces into the software will be discussed.

Progressive decrease of melatonin production over consecutive days of simulated night work.

PubMed

Dumont, Marie; Paquet, Jean

2014-12-01

Decreased melatonin production, due to nighttime exposure to light, has been proposed as one of the physiological mechanisms increasing cancer risk in night workers. However, few studies measured melatonin production in night workers, and most of these studies did not measure melatonin over 24 h. One study compared total melatonin production between day and night shifts in rotating night workers and did not find significant differences. However, without baseline measures, it was not possible to exclude that melatonin production was reduced during both day and night work. Here, we used data collected in a simulation study of night work to determine the effect of night work on both nighttime and 24-h melatonin production, during three consecutive days of simulated night work. Thirty-eight healthy subjects (15 men, 23 women; 26.6 ± 4.2 years) participated in a 6-d laboratory study. Circadian phase assessments were made with salivary dim light melatonin onset (DLMO) on the first and last days. Simulated day work (09:00-17:00 h) occurred on the second day, followed by three consecutive days of simulated night work (00:00-08:00 h). Light intensity at eye level was set at 50 lux during both simulated day and night work. The subjects were divided into three matched groups exposed to specific daytime light profiles that produced various degrees of circadian phase delays and phase advances. Melatonin production was estimated with the excretion of urinary 6-sulfatoxymelatonin (aMT6s). For the entire protocol, urine was collected every 2 h, except for the sleep episodes when the interval was 8 h. The aMT6s concentration in each sample was multiplied by the urine volume and then added to obtain total aMT6s excretion during nighttime (00:00-08:00 h) and during each 24-h day (00:00-00:00 h). The results showed that melatonin production progressively decreased over consecutive days of simulated night work, both during nighttime and over the 24 h. This decrease was larger in women using oral contraceptives. There was no difference between the three groups, and the magnitude of the decrease in melatonin production for nighttime and for the 24 h was not associated with the magnitude of the absolute circadian phase shift. As light intensity was relatively low and because the decrease in melatonin production was progressive, direct suppression by nighttime light exposure was probably not a significant factor. However, according to previous experimental observations, the decrease in melatonin production most likely reflects the circadian disruption associated with the process of re-entrainment. It remains to be determined whether reduced melatonin production can be harmful by itself, but long-term and repeated circadian disruption most probably is.

Analytic Closed-Form Solution of a Mixed Layer Model for Stratocumulus Clouds

NASA Astrophysics Data System (ADS)

Akyurek, Bengu Ozge

Stratocumulus clouds play an important role in climate cooling and are hard to predict using global climate and weather forecast models. Thus, previous studies in the literature use observations and numerical simulation tools, such as large-eddy simulation (LES), to solve the governing equations for the evolution of stratocumulus clouds. In contrast to the previous works, this work provides an analytic closed-form solution to the cloud thickness evolution of stratocumulus clouds in a mixed-layer model framework. With a focus on application over coastal lands, the diurnal cycle of cloud thickness and whether or not clouds dissipate are of particular interest. An analytic solution enables the sensitivity analysis of implicitly interdependent variables and extrema analysis of cloud variables that are hard to achieve using numerical solutions. In this work, the sensitivity of inversion height, cloud-base height, and cloud thickness with respect to initial and boundary conditions, such as Bowen ratio, subsidence, surface temperature, and initial inversion height, are studied. A critical initial cloud thickness value that can be dissipated pre- and post-sunrise is provided. Furthermore, an extrema analysis is provided to obtain the minima and maxima of the inversion height and cloud thickness within 24 h. The proposed solution is validated against LES results under the same initial and boundary conditions. Then, the proposed analytic framework is extended to incorporate multiple vertical columns that are coupled by advection through wind flow. This enables a bridge between the micro-scale and the mesoscale relations. The effect of advection on cloud evolution is studied and a sensitivity analysis is provided.

CDGPS-Based Relative Navigation for Multiple Spacecraft

NASA Technical Reports Server (NTRS)

Mitchell, Megan Leigh

2004-01-01

This thesis investigates the use of Carrier-phase Differential GPS (CDGPS) in relative navigation filters for formation flying spacecraft. This work analyzes the relationship between the Extended Kalman Filter (EKF) design parameters and the resulting estimation accuracies, and in particular, the effect of the process and measurement noises on the semimajor axis error. This analysis clearly demonstrates that CDGPS-based relative navigation Kalman filters yield good estimation performance without satisfying the strong correlation property that previous work had associated with "good" navigation filters. Several examples are presented to show that the Kalman filter can be forced to create solutions with stronger correlations, but these always result in larger semimajor axis errors. These linear and nonlinear simulations also demonstrated the crucial role of the process noise in determining the semimajor axis knowledge. More sophisticated nonlinear models were included to reduce the propagation error in the estimator, but for long time steps and large separations, the EKF, which only uses a linearized covariance propagation, yielded very poor performance. In contrast, the CDGPS-based Unscented Kalman relative navigation Filter (UKF) handled the dynamic and measurement nonlinearities much better and yielded far superior performance than the EKF. The UKF produced good estimates for scenarios with long baselines and time steps for which the EKF would diverge rapidly. A hardware-in-the-loop testbed that is compatible with the Spirent Simulator at NASA GSFC was developed to provide a very flexible and robust capability for demonstrating CDGPS technologies in closed-loop. This extended previous work to implement the decentralized relative navigation algorithms in real time.

Genetic demographic networks: Mathematical model and applications.

PubMed

Kimmel, Marek; Wojdyła, Tomasz

2016-10-01

Recent improvement in the quality of genetic data obtained from extinct human populations and their ancestors encourages searching for answers to basic questions regarding human population history. The most common and successful are model-based approaches, in which genetic data are compared to the data obtained from the assumed demography model. Using such approach, it is possible to either validate or adjust assumed demography. Model fit to data can be obtained based on reverse-time coalescent simulations or forward-time simulations. In this paper we introduce a computational method based on mathematical equation that allows obtaining joint distributions of pairs of individuals under a specified demography model, each of them characterized by a genetic variant at a chosen locus. The two individuals are randomly sampled from either the same or two different populations. The model assumes three types of demographic events (split, merge and migration). Populations evolve according to the time-continuous Moran model with drift and Markov-process mutation. This latter process is described by the Lyapunov-type equation introduced by O'Brien and generalized in our previous works. Application of this equation constitutes an original contribution. In the result section of the paper we present sample applications of our model to both simulated and literature-based demographies. Among other we include a study of the Slavs-Balts-Finns genetic relationship, in which we model split and migrations between the Balts and Slavs. We also include another example that involves the migration rates between farmers and hunters-gatherers, based on modern and ancient DNA samples. This latter process was previously studied using coalescent simulations. Our results are in general agreement with the previous method, which provides validation of our approach. Although our model is not an alternative to simulation methods in the practical sense, it provides an algorithm to compute pairwise distributions of alleles, in the case of haploid non-recombining loci such as mitochondrial and Y-chromosome loci in humans. Copyright © 2016 Elsevier Inc. All rights reserved.

Controlled patterns of daytime light exposure improve circadian adjustment in simulated night work.

PubMed

Dumont, Marie; Blais, Hélène; Roy, Joanie; Paquet, Jean

2009-10-01

Circadian misalignment between the endogenous circadian signal and the imposed rest-activity cycle is one of the main sources of sleep and health troubles in night shift workers. Timed bright light exposure during night work can reduce circadian misalignment in night workers, but this approach is limited by difficulties in incorporating bright light treatment into most workplaces. Controlled light and dark exposure during the daytime also has a significant impact on circadian phase and could be easier to implement in real-life situations. The authors previously described distinctive light exposure patterns in night nurses with and without circadian adaptation. In the present study, the main features of these patterns were used to design daytime light exposure profiles. Profiles were then tested in a laboratory simulation of night work to evaluate their efficacy in reducing circadian misalignment in night workers. The simulation included 2 day shifts followed by 4 consecutive night shifts (2400-0800 h). Healthy subjects (15 men and 23 women; 20-35 years old) were divided into 3 groups to test 3 daytime light exposure profiles designed to produce respectively a phase delay (delay group, n=12), a phase advance (advance group, n=13), or an unchanged circadian phase (stable group, n=13). In all 3 groups, light intensity was set at 50 lux during the nights of simulated night work. Salivary dim light melatonin onset (DLMO) showed a significant phase advance of 2.3 h (+/-1.3 h) in the advance group and a significant phase delay of 4.1 h (+/-1.3 h) in the delay group. The stable group showed a smaller but significant phase delay of 1.7 h (+/-1.6 h). Urinary 6-sulfatoxymelatonin (aMT6s) acrophases were highly correlated to salivary DLMOs. Urinary aMT6s acrophases were used to track daily phase shifts. They showed that phase shifts occurred rapidly and differed between the 3 groups by the 3rd night of simulated night work. These results show that significant phase shifts can be achieved in night workers by controlling daytime light exposure, with no nighttime intervention.

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

White, D.B.

This paper reports on experiments to examine gas migration rates in drilling muds that were performed in a 15-m-long, 200-mm-ID inclinable flow loop where air injection simulates gas entry during a kick. These tests were conducted using a xanthum gum (a common polymer used in drilling fluids) solution to simulate drilling muds as the liquid phase and air as the gas phase. This work represents a significant extension of existing correlations for gas/liquid flows in large pipe diameters with non- Newtonian fluids. Bubbles rise faster in drilling muds than in water despite the increased viscosity. This surprising result is causedmore » by the change in the flow regime, with large slug-type bubbles forming at lower void fractions. The gas velocity is independent of void fraction, thus simplifying flow modeling. Results show that a gas influx will rise faster in a well than previously believed. This has major implications for kick simulation, with gas arriving at the surface earlier than would be expected and the gas outflow rate being higher than would have been predicted. A model of the two-phase gas flow in drilling mud, including the results of this work, has been incorporated into the joint Schlumberger Cambridge Research (SCR)/BP Intl. kick model.« less

A model of tungsten anode x-ray spectra.

PubMed

Hernández, G; Fernández, F

2016-08-01

A semiempirical model for x-ray production in tungsten thick-targets was evaluated using a new characterization of electron fluence. Electron fluence is modeled taking into account both the energy and angular distributions, each of them adjusted to Monte Carlo simulated data. Distances were scaled by the CSDA range to reduce the energy dependence. Bremsstrahlung production was found by integrating the cross section with the fluence in a 1D penetration model. Characteristic radiation was added using a semiempirical law whose validity was checked. The results were compared the experimental results of Bhat et al., with the SpekCalc numerical tool, and with mcnpx simulation results from the work of Hernandez and Boone. The model described shows better agreement with the experimental results than the SpekCalc predictions in the sense of area between the spectra. A general improvement of the predictions of half-value layers is also found. The results are also in good agreement with the simulation results in the 50-640 keV energy range. A complete model for x-ray production in thick bremsstrahlung targets has been developed, improving the results of previous works and extending the energy range covered to the 50-640 keV interval.

Tunnel Field-Effect Transistors in 2-D Transition Metal Dichalcogenide Materials

NASA Astrophysics Data System (ADS)

Ilatikhameneh, Hesameddin; Tan, Yaohua; Novakovic, Bozidar; Klimeck, Gerhard; Rahman, Rajib; Appenzeller, Joerg

2015-12-01

In this work, the performance of Tunnel Field-Effect Transistors (TFETs) based on two-dimensional Transition Metal Dichalcogenide (TMD) materials is investigated by atomistic quantum transport simulations. One of the major challenges of TFETs is their low ON-currents. 2D material based TFETs can have tight gate control and high electric fields at the tunnel junction, and can in principle generate high ON-currents along with a sub-threshold swing smaller than 60 mV/dec. Our simulations reveal that high performance TMD TFETs, not only require good gate control, but also rely on the choice of the right channel material with optimum band gap, effective mass and source/drain doping level. Unlike previous works, a full band atomistic tight binding method is used self-consistently with 3D Poisson equation to simulate ballistic quantum transport in these devices. The effect of the choice of TMD material on the performance of the device and its transfer characteristics are discussed. Moreover, the criteria for high ON-currents are explained with a simple analytic model, showing the related fundamental factors. Finally, the subthreshold swing and energy-delay of these TFETs are compared with conventional CMOS devices.

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

NASA Technical Reports Server (NTRS)

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

2012-01-01

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

Monte Carlo simulation of the mixed alkali effect with cooperative jumps

NASA Astrophysics Data System (ADS)

Habasaki, Junko; Hiwatari, Yasuaki

2000-12-01

In our previous works on molecular dynamics (MD) simulations of lithium metasilicate (Li2SiO3), it has been shown that the long time behavior of the lithium ions in Li2SiO3 has been characterized by the component showing the enhanced diffusion (Lévy flight) due to cooperative jumps. It has also been confirmed that the contribution of such component decreases by interception of the paths in the mixed alkali silicate (LiKSiO3). Namely, cooperative jumps of like ions are much decreased in number owing to the interception of the path for unlike alkali-metal ions. In the present work, we have performed a Monte Carlo simulation using a cubic lattice in order to establish the role of the cooperative jumps in the transport properties in a mixed alkali glass. Fixed particles (blockage) were introduced instead of the interception of the jump paths for unlike alkali-metal ions. Two types of cooperative motions (a pull type and a push type) were taken into account. Low-dimensionality of the jump path caused by blockage resulted in a decrease of a diffusion coefficient of the particles. The effect of blockage is enhanced when the cooperative motions were introduced.

High-performance finite-difference time-domain simulations of C-Mod and ITER RF antennas

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Smithe, David N.

2015-12-01

Finite-difference time-domain methods have, in recent years, developed powerful capabilities for modeling realistic ICRF behavior in fusion plasmas [1, 2, 3, 4]. When coupled with the power of modern high-performance computing platforms, such techniques allow the behavior of antenna near and far fields, and the flow of RF power, to be studied in realistic experimental scenarios at previously inaccessible levels of resolution. In this talk, we present results and 3D animations from high-performance FDTD simulations on the Titan Cray XK7 supercomputer, modeling both Alcator C-Mod's field-aligned ICRF antenna and the ITER antenna module. Much of this work focuses on scans over edge density, and tailored edge density profiles, to study dispersion and the physics of slow wave excitation in the immediate vicinity of the antenna hardware and SOL. An understanding of the role of the lower-hybrid resonance in low-density scenarios is emerging, and possible implications of this for the NSTX launcher and power balance are also discussed. In addition, we discuss ongoing work centered on using these simulations to estimate sputtering and impurity production, as driven by the self-consistent sheath potentials at antenna surfaces.

High-performance finite-difference time-domain simulations of C-Mod and ITER RF antennas

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

Jenkins, Thomas G., E-mail: tgjenkins@txcorp.com; Smithe, David N., E-mail: smithe@txcorp.com

Finite-difference time-domain methods have, in recent years, developed powerful capabilities for modeling realistic ICRF behavior in fusion plasmas [1, 2, 3, 4]. When coupled with the power of modern high-performance computing platforms, such techniques allow the behavior of antenna near and far fields, and the flow of RF power, to be studied in realistic experimental scenarios at previously inaccessible levels of resolution. In this talk, we present results and 3D animations from high-performance FDTD simulations on the Titan Cray XK7 supercomputer, modeling both Alcator C-Mod’s field-aligned ICRF antenna and the ITER antenna module. Much of this work focuses on scansmore » over edge density, and tailored edge density profiles, to study dispersion and the physics of slow wave excitation in the immediate vicinity of the antenna hardware and SOL. An understanding of the role of the lower-hybrid resonance in low-density scenarios is emerging, and possible implications of this for the NSTX launcher and power balance are also discussed. In addition, we discuss ongoing work centered on using these simulations to estimate sputtering and impurity production, as driven by the self-consistent sheath potentials at antenna surfaces.« less

Investigation of unsteadiness in Shock-particle cloud interaction: Fully resolved two-dimensional simulation and one-dimensional modeling

NASA Astrophysics Data System (ADS)

Hosseinzadeh-Nik, Zahra; Regele, Jonathan D.

2015-11-01

Dense compressible particle-laden flow, which has a complex nature, exists in various engineering applications. Shock waves impacting a particle cloud is a canonical problem to investigate this type of flow. It has been demonstrated that large flow unsteadiness is generated inside the particle cloud from the flow induced by the shock passage. It is desirable to develop models for the Reynolds stress to capture the energy contained in vortical structures so that volume-averaged models with point particles can be simulated accurately. However, the previous work used Euler equations, which makes the prediction of vorticity generation and propagation innacurate. In this work, a fully resolved two dimensional (2D) simulation using the compressible Navier-Stokes equations with a volume penalization method to model the particles has been performed with the parallel adaptive wavelet-collocation method. The results still show large unsteadiness inside and downstream of the particle cloud. A 1D model is created for the unclosed terms based upon these 2D results. The 1D model uses a two-phase simple low dissipation AUSM scheme (TSLAU) developed by coupled with the compressible two phase kinetic energy equation.

Kinetic-MHD simulations of gyroresonance instability driven by CR pressure anisotropy

NASA Astrophysics Data System (ADS)

Lebiga, O.; Santos-Lima, R.; Yan, H.

2018-05-01

The transport of cosmic rays (CRs) is crucial for the understanding of almost all high-energy phenomena. Both pre-existing large-scale magnetohydrodynamic (MHD) turbulence and locally generated turbulence through plasma instabilities are important for the CR propagation in astrophysical media. The potential role of the resonant instability triggered by CR pressure anisotropy to regulate the parallel spatial diffusion of low-energy CRs (≲100 GeV) in the interstellar and intracluster medium of galaxies has been shown in previous theoretical works. This work aims to study the gyroresonance instability via direct numerical simulations, in order to access quantitatively the wave-particle scattering rates. For this, we employ a 1D PIC-MHD code to follow the growth and saturation of the gyroresonance instability. We extract from the simulations the pitch-angle diffusion coefficient Dμμ produced by the instability during the linear and saturation phases, and a very good agreement (within a factor of 3) is found with the values predicted by the quasi-linear theory (QLT). Our results support the applicability of the QLT for modelling the scattering of low-energy CRs by the gyroresonance instability in the complex interplay between this instability and the large-scale MHD turbulence.

Spacecraft applications of advanced global positioning system technology

NASA Technical Reports Server (NTRS)

1988-01-01

This is the final report on the Texas Instruments Incorporated (TI) simulations study of Spacecraft Application of Advanced Global Positioning System (GPS) Technology. This work was conducted for the NASA Johnson Space Center (JSC) under contract NAS9-17781. GPS, in addition to its baselined capability as a highly accurate spacecraft navigation system, can provide traffic control, attitude control, structural control, and uniform time base. In Phase 1 of this program, another contractor investigated the potential of GPS in these four areas and compared GPS to other techniques. This contract was for the Phase 2 effort, to study the performance of GPS for these spacecraft applications through computer simulations. TI had previously developed simulation programs for GPS differential navigation and attitude measurement. These programs were adapted for these specific spacecraft applications. In addition, TI has extensive expertise in the design and production of advanced GPS receivers, including space-qualified GPS receivers. We have drawn on this background to augment the simulation results in the system level overview, which is Section 2 of this report.

Evaluation of Boreal Summer Monsoon Intraseasonal Variability in the GASS-YOTC Multi-Model Physical Processes Experiment

NASA Astrophysics Data System (ADS)

Mani, N. J.; Waliser, D. E.; Jiang, X.

2014-12-01

While the boreal summer monsoon intraseasonal variability (BSISV) exerts profound influence on the south Asian monsoon, the capability of present day dynamical models in simulating and predicting the BSISV is still limited. The global model evaluation project on vertical structure and diabatic processes of the Madden Julian Oscillations (MJO) is a joint venture, coordinated by the Working Group on Numerical Experimentation (WGNE) MJO Task Force and GEWEX Atmospheric System Study (GASS) program, for assessing the model deficiencies in simulating the ISV and for improving our understanding of the underlying processes. In this study the simulation of the northward propagating BSISV is investigated in 26 climate models with special focus on the vertical diabatic heating structure and clouds. Following parallel lines of inquiry as the MJO Task Force has done with the eastward propagating MJO, we utilize previously proposed and newly developed model performance metrics and process diagnostics and apply them to the global climate model simulations of BSISV.

Electrohydrodynamics of drops in strong electric fields: Simulations and theory

NASA Astrophysics Data System (ADS)

Saintillan, David; Das, Debasish

2016-11-01

Weakly conducting dielectric liquid drops suspended in another dielectric liquid exhibit a wide range of dynamical behaviors when subject to an applied uniform electric field contingent on field strength and material properties. These phenomena are best described by the much celebrated Maylor-Taylor leaky dielectric model that hypothesizes charge accumulation on the drop-fluid interface and prescribes a balance between charge relaxation, the jump in Ohmic currents and charge convection by the interfacial fluid flow. Most previous numerical simulations based on this model have either neglected interfacial charge convection or restricted themselves to axisymmetric drops. In this work, we develop a three-dimensional boundary element method for the complete leaky dielectric model to systematically study the deformation and dynamics of liquid drops in electric fields. The inclusion of charge convection in our simulation permits us to investigate drops in the Quincke regime, in which experiments have demonstrated symmetry-breaking bifurcations leading to steady electrorotation. Our simulation results show excellent agreement with existing experimental data and small deformation theories. ACSPRF Grant 53240-ND9.

Self-assembly formation of palm-based esters nano-emulsion: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Abdul Rahman, Mohd. Basyaruddin; Huan, Qiu-Yi; Tejo, Bimo A.; Basri, Mahiran; Salleh, Abu Bakar; Rahman, Raja Noor Zaliha Abdul

2009-10-01

Palm-oil esters (POEs) are unsaturated and non-ionic esters that can be prepared by enzymatic synthesis from palm oil. Their nano-emulsion properties possess great potential to act as drug carrier for transdermal drug delivery system. A ratio of 75:5:20 (water/POEs/Span20) was chosen from homogenous region in the phase diagram of our previous experimental work to undergo molecular dynamics simulation. A 15 ns molecular dynamics simulation of nano-emulsion system (water/POEs/Span20) was carried out using OPLS-AA force field. The aggregations of the oil and surfactant molecules are observed throughout the simulation. After 8 ns of simulation, the molecules start to aggregate to form one spherical micelle where the POEs molecules are surrounded by the non-ionic surfactant (Span20) molecules with an average size of 4.2 ± 0.05 nm. The size of the micelle and the ability of palm-based nano-emulsion to self-assemble suggest that this nano-emulsion can potentially use in transdermal drug delivery system.

Direct simulation for the instability and breakup of laminar liquid jets

NASA Technical Reports Server (NTRS)

Chuech, S. G.; Przekwas, A. J.; Yang, H. Q.; Gross, K. W.

1990-01-01

A direct numerical simulation method is described for predicting the deformation of laminar liquid jets. In the present nonlinear direct simulation, the convective term, which has been discarded in past linear analyses by Rayleigh and others, is included in the hydrodynamic equations. It is shown that only by maintaining full complexity of the nonlinear surface tension term accurate drop formation can be predicted. The continuity and momentum equations in the transient form are integrated on an adaptive grid, conforming the jet and surface wave shape. The equations, which are parabolic in time and elliptic in space, are solved by a TVD scheme with characteristic flux splitting. The results of the present work are discussed and compared with available measurements and other analyses. The comparison shows that among the predictions, the current 1-D direct simulation results agree best with the experimental data. Furthermore, the computer time requirements are much (an order of magnitude) smaller than those of previously reported multidimensional analyses.

Direct simulation for the instability and breakup of laminar liquid jets

NASA Astrophysics Data System (ADS)

Chuech, S. G.; Przekwas, A. J.; Yang, H. Q.; Gross, K. W.

1990-07-01

A direct numerical simulation method is described for predicting the deformation of laminar liquid jets. In the present nonlinear direct simulation, the convective term, which has been discarded in past linear analyses by Rayleigh and others, is included in the hydrodynamic equations. It is shown that only by maintaining full complexity of the nonlinear surface tension term accurate drop formation can be predicted. The continuity and momentum equations in the transient form are integrated on an adaptive grid, conforming the jet and surface wave shape. The equations, which are parabolic in time and elliptic in space, are solved by a TVD scheme with characteristic flux splitting. The results of the present work are discussed and compared with available measurements and other analyses. The comparison shows that among the predictions, the current 1-D direct simulation results agree best with the experimental data. Furthermore, the computer time requirements are much (an order of magnitude) smaller than those of previously reported multidimensional analyses.

Initial conditions for accurate N-body simulations of massive neutrino cosmologies

NASA Astrophysics Data System (ADS)

Zennaro, M.; Bel, J.; Villaescusa-Navarro, F.; Carbone, C.; Sefusatti, E.; Guzzo, L.

2017-04-01

The set-up of the initial conditions in cosmological N-body simulations is usually implemented by rescaling the desired low-redshift linear power spectrum to the required starting redshift consistently with the Newtonian evolution of the simulation. The implementation of this practical solution requires more care in the context of massive neutrino cosmologies, mainly because of the non-trivial scale-dependence of the linear growth that characterizes these models. In this work, we consider a simple two-fluid, Newtonian approximation for cold dark matter and massive neutrinos perturbations that can reproduce the cold matter linear evolution predicted by Boltzmann codes such as CAMB or CLASS with a 0.1 per cent accuracy or below for all redshift relevant to non-linear structure formation. We use this description, in the first place, to quantify the systematic errors induced by several approximations often assumed in numerical simulations, including the typical set-up of the initial conditions for massive neutrino cosmologies adopted in previous works. We then take advantage of the flexibility of this approach to rescale the late-time linear power spectra to the simulation initial redshift, in order to be as consistent as possible with the dynamics of the N-body code and the approximations it assumes. We implement our method in a public code (REPS rescaled power spectra for initial conditions with massive neutrinos https://github.com/matteozennaro/reps) providing the initial displacements and velocities for cold dark matter and neutrino particles that will allow accurate, I.e. 1 per cent level, numerical simulations for this cosmological scenario.

Simulation of Attacks for Security in Wireless Sensor Network

PubMed Central

Diaz, Alvaro; Sanchez, Pablo

2016-01-01

The increasing complexity and low-power constraints of current Wireless Sensor Networks (WSN) require efficient methodologies for network simulation and embedded software performance analysis of nodes. In addition, security is also a very important feature that has to be addressed in most WSNs, since they may work with sensitive data and operate in hostile unattended environments. In this paper, a methodology for security analysis of Wireless Sensor Networks is presented. The methodology allows designing attack-aware embedded software/firmware or attack countermeasures to provide security in WSNs. The proposed methodology includes attacker modeling and attack simulation with performance analysis (node’s software execution time and power consumption estimation). After an analysis of different WSN attack types, an attacker model is proposed. This model defines three different types of attackers that can emulate most WSN attacks. In addition, this paper presents a virtual platform that is able to model the node hardware, embedded software and basic wireless channel features. This virtual simulation analyzes the embedded software behavior and node power consumption while it takes into account the network deployment and topology. Additionally, this simulator integrates the previously mentioned attacker model. Thus, the impact of attacks on power consumption and software behavior/execution-time can be analyzed. This provides developers with essential information about the effects that one or multiple attacks could have on the network, helping them to develop more secure WSN systems. This WSN attack simulator is an essential element of the attack-aware embedded software development methodology that is also introduced in this work. PMID:27869710

StarBase: A Firm Real-Time Database Manager for Time-Critical Applications

DTIC Science & Technology

1995-01-01

Mellon University [IO]. StarBase differs from previous RT-DBMS work [l, 2, 31 in that a) it relies on a real - time operating system which provides...simulation studies, StarBase uses a real - time operating system to provide basic real-time functionality and deals with issues beyond transaction...re- source scheduling provided by the underlying real - time operating system . Issues of data contention are dealt with by use of a priority

Gunshot identification system by integration of open source consumer electronics

NASA Astrophysics Data System (ADS)

López R., Juan Manuel; Marulanda B., Jose Ignacio

2014-05-01

This work presents a prototype of low-cost gunshots identification system that uses consumer electronics in order to ensure the existence of gunshots and then classify it according to a previously established database. The implementation of this tool in the urban areas is to set records that support the forensics, hence improving law enforcement also on developing countries. An analysis of its effectiveness is presented in comparison with theoretical results obtained with numerical simulations.

Evaluation of a Computational Model of Situational Awareness

NASA Technical Reports Server (NTRS)

Burdick, Mark D.; Shively, R. Jay; Rutkewski, Michael (Technical Monitor)

2000-01-01

Although the use of the psychological construct of situational awareness (SA) assists researchers in creating a flight environment that is safer and more predictable, its true potential remains untapped until a valid means of predicting SA a priori becomes available. Previous work proposed a computational model of SA (CSA) that sought to Fill that void. The current line of research is aimed at validating that model. The results show that the model accurately predicted SA in a piloted simulation.

Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering.

PubMed

Jin, Dongliang; Coasne, Benoit

2017-10-24

Different molecular simulation strategies are used to assess the stability of methane hydrate under various temperature and pressure conditions. First, using two water molecular models, free energy calculations consisting of the Einstein molecule approach in combination with semigrand Monte Carlo simulations are used to determine the pressure-temperature phase diagram of methane hydrate. With these calculations, we also estimate the chemical potentials of water and methane and methane occupancy at coexistence. Second, we also consider two other advanced molecular simulation techniques that allow probing the phase diagram of methane hydrate: the direct coexistence method in the Grand Canonical ensemble and the hyperparallel tempering Monte Carlo method. These two direct techniques are found to provide stability conditions that are consistent with the pressure-temperature phase diagram obtained using rigorous free energy calculations. The phase diagram obtained in this work, which is found to be consistent with previous simulation studies, is close to its experimental counterpart provided the TIP4P/Ice model is used to describe the water molecule.

Probabilistic approach for earthquake scenarios in the Marmara region from dynamic rupture simulations

NASA Astrophysics Data System (ADS)

Aochi, Hideo

2014-05-01

The Marmara region (Turkey) along the North Anatolian fault is known as a high potential of large earthquakes in the next decades. For the purpose of seismic hazard/risk evaluation, kinematic and dynamic source models have been proposed (e.g. Oglesby and Mai, GJI, 2012). In general, the simulated earthquake scenarios depend on the hypothesis and cannot be verified before the expected earthquake. We then introduce a probabilistic insight to give the initial/boundary conditions to statistically analyze the simulated scenarios. We prepare different fault geometry models, tectonic loading and hypocenter locations. We keep the same framework of the simulation procedure as the dynamic rupture process of the adjacent 1999 Izmit earthquake (Aochi and Madariaga, BSSA, 2003), as the previous models were able to reproduce the seismological/geodetic aspects of the event. Irregularities in fault geometry play a significant role to control the rupture progress, and a relatively large change in geometry may work as barriers. The variety of the simulate earthquake scenarios should be useful for estimating the variety of the expected ground motion.

Bravyi-Kitaev Superfast simulation of electronic structure on a quantum computer.

PubMed

Setia, Kanav; Whitfield, James D

2018-04-28

Present quantum computers often work with distinguishable qubits as their computational units. In order to simulate indistinguishable fermionic particles, it is first required to map the fermionic state to the state of the qubits. The Bravyi-Kitaev Superfast (BKSF) algorithm can be used to accomplish this mapping. The BKSF mapping has connections to quantum error correction and opens the door to new ways of understanding fermionic simulation in a topological context. Here, we present the first detailed exposition of the BKSF algorithm for molecular simulation. We provide the BKSF transformed qubit operators and report on our implementation of the BKSF fermion-to-qubits transform in OpenFermion. In this initial study of a hydrogen molecule we have compared BKSF, Jordan-Wigner, and Bravyi-Kitaev transforms under the Trotter approximation. The gate count to implement BKSF is lower than Jordan-Wigner but higher than Bravyi-Kitaev. We considered different orderings of the exponentiated terms and found lower Trotter errors than the previously reported for Jordan-Wigner and Bravyi-Kitaev algorithms. These results open the door to the further study of the BKSF algorithm for quantum simulation.

A simulation-based efficiency comparison of AC and DC power distribution networks in commercial buildings

DOE PAGES

Gerber, Daniel L.; Vossos, Vagelis; Feng, Wei; ...

2017-06-12

Direct current (DC) power distribution has recently gained traction in buildings research due to the proliferation of on-site electricity generation and battery storage, and an increasing prevalence of internal DC loads. The research discussed in this paper uses Modelica-based simulation to compare the efficiency of DC building power distribution with an equivalent alternating current (AC) distribution. The buildings are all modeled with solar generation, battery storage, and loads that are representative of the most efficient building technology. A variety of paramet ric simulations determine how and when DC distribution proves advantageous. These simulations also validate previous studies that use simplermore » approaches and arithmetic efficiency models. This work shows that using DC distribution can be considerably more efficient: a medium sized office building using DC distribution has an expected baseline of 12% savings, but may also save up to 18%. In these results, the baseline simulation parameters are for a zero net energy (ZNE) building that can island as a microgrid. DC is most advantageous in buildings with large solar capacity, large battery capacity, and high voltage distribution.« less

A simulation-based efficiency comparison of AC and DC power distribution networks in commercial buildings

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

Gerber, Daniel L.; Vossos, Vagelis; Feng, Wei

Direct current (DC) power distribution has recently gained traction in buildings research due to the proliferation of on-site electricity generation and battery storage, and an increasing prevalence of internal DC loads. The research discussed in this paper uses Modelica-based simulation to compare the efficiency of DC building power distribution with an equivalent alternating current (AC) distribution. The buildings are all modeled with solar generation, battery storage, and loads that are representative of the most efficient building technology. A variety of paramet ric simulations determine how and when DC distribution proves advantageous. These simulations also validate previous studies that use simplermore » approaches and arithmetic efficiency models. This work shows that using DC distribution can be considerably more efficient: a medium sized office building using DC distribution has an expected baseline of 12% savings, but may also save up to 18%. In these results, the baseline simulation parameters are for a zero net energy (ZNE) building that can island as a microgrid. DC is most advantageous in buildings with large solar capacity, large battery capacity, and high voltage distribution.« less

Interfacing MCNPX and McStas for simulation of neutron transport

NASA Astrophysics Data System (ADS)

Klinkby, Esben; Lauritzen, Bent; Nonbøl, Erik; Kjær Willendrup, Peter; Filges, Uwe; Wohlmuther, Michael; Gallmeier, Franz X.

2013-02-01

Simulations of target-moderator-reflector system at spallation sources are conventionally carried out using Monte Carlo codes such as MCNPX (Waters et al., 2007 [1]) or FLUKA (Battistoni et al., 2007; Ferrari et al., 2005 [2,3]) whereas simulations of neutron transport from the moderator and the instrument response are performed by neutron ray tracing codes such as McStas (Lefmann and Nielsen, 1999; Willendrup et al., 2004, 2011a,b [4-7]). The coupling between the two simulation suites typically consists of providing analytical fits of MCNPX neutron spectra to McStas. This method is generally successful but has limitations, as it e.g. does not allow for re-entry of neutrons into the MCNPX regime. Previous work to resolve such shortcomings includes the introduction of McStas inspired supermirrors in MCNPX. In the present paper different approaches to interface MCNPX and McStas are presented and applied to a simple test case. The direct coupling between MCNPX and McStas allows for more accurate simulations of e.g. complex moderator geometries, backgrounds, interference between beam-lines as well as shielding requirements along the neutron guides.

Three-dimensional Mesoscale Simulations of Detonation Initiation in Energetic Materials with Density-based Kinetics

NASA Astrophysics Data System (ADS)

Jackson, Thomas; Jost, A. M.; Zhang, Ju; Sridharan, P.; Amadio, G.

2017-06-01

In this work we present three-dimensional mesoscale simulations of detonation initiation in energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The reaction rate at the mesoscale is modelled using a density-based kinetics scheme, adapted from standard Ignition and Growth models. The deposition term is based on previous results of simulations of pore collapse at the microscale, modelled at the mesoscale as hot-spots. We carry out three-dimensional mesoscale simulations of random packs of HMX crystals in a binder, and show that the transition between no-detonation and detonation depends on the number density of the hot-spots, the initial radius of the hot-spot, the post-shock pressure of an imposed shock, and the amplitude of the power deposition term. The trends of transition at lower pressure of the imposed shock for larger number density of pore observed in experiments is reproduced. Initial attempts to improve the agreement between the simulation and experiments through calibration of various parameters will also be made.

Monte Carlo simulations of electrical percolation in multicomponent thin films with nanofillers

NASA Astrophysics Data System (ADS)

Ni, Xiaojuan; Hui, Chao; Su, Ninghai; Jiang, Wei; Liu, Feng

2018-02-01

We developed a 2D disk-stick percolation model to investigate the electrical percolation behavior of an insulating thin film reinforced with 1D and 2D conductive nanofillers via Monte Carlo simulation. Numerical predictions of the percolation threshold in single component thin films showed good agreement with the previous published work, validating our model for investigating the characteristics of the percolation phenomena. Parametric studies of size effect, i.e., length of 1D nanofiller and diameter of 2D nanofiller, were carried out to predict the electrical percolation threshold for hybrid systems. The relationships between the nanofillers in two hybrid systems was established, which showed differences from previous linear assumption. The effective electrical conductance was evaluated through Kirchhoff’s current law by transforming it into a resistor network. The equivalent resistance was obtained from the distribution of nodal voltages by solving a system of linear equations with a Gaussian elimination method. We examined the effects of stick length, relative concentration, and contact patterns of 1D/2D inclusions on electrical performance. One novel aspect of our study is its ability to investigate the effective conductance of nanocomposites as a function of relative concentrations, which shows there is a synergistic effect when nanofillers with different dimensionalities combine properly. Our work provides an important theoretical basis for designing the conductive networks and predicting the percolation properties of multicomponent nanocomposites.

High performance ultrasonic field simulation on complex geometries

NASA Astrophysics Data System (ADS)

Chouh, H.; Rougeron, G.; Chatillon, S.; Iehl, J. C.; Farrugia, J. P.; Ostromoukhov, V.

2016-02-01

Ultrasonic field simulation is a key ingredient for the design of new testing methods as well as a crucial step for NDT inspection simulation. As presented in a previous paper [1], CEA-LIST has worked on the acceleration of these simulations focusing on simple geometries (planar interfaces, isotropic materials). In this context, significant accelerations were achieved on multicore processors and GPUs (Graphics Processing Units), bringing the execution time of realistic computations in the 0.1 s range. In this paper, we present recent works that aim at similar performances on a wider range of configurations. We adapted the physical model used by the CIVA platform to design and implement a new algorithm providing a fast ultrasonic field simulation that yields nearly interactive results for complex cases. The improvements over the CIVA pencil-tracing method include adaptive strategies for pencil subdivisions to achieve a good refinement of the sensor geometry while keeping a reasonable number of ray-tracing operations. Also, interpolation of the times of flight was used to avoid time consuming computations in the impulse response reconstruction stage. To achieve the best performance, our algorithm runs on multi-core superscalar CPUs and uses high performance specialized libraries such as Intel Embree for ray-tracing, Intel MKL for signal processing and Intel TBB for parallelization. We validated the simulation results by comparing them to the ones produced by CIVA on identical test configurations including mono-element and multiple-element transducers, homogeneous, meshed 3D CAD specimens, isotropic and anisotropic materials and wave paths that can involve several interactions with interfaces. We show performance results on complete simulations that achieve computation times in the 1s range.

System for Anomaly and Failure Detection (SAFD) system development

NASA Technical Reports Server (NTRS)

Oreilly, D.

1992-01-01

This task specified developing the hardware and software necessary to implement the System for Anomaly and Failure Detection (SAFD) algorithm, developed under Technology Test Bed (TTB) Task 21, on the TTB engine stand. This effort involved building two units; one unit to be installed in the Block II Space Shuttle Main Engine (SSME) Hardware Simulation Lab (HSL) at Marshall Space Flight Center (MSFC), and one unit to be installed at the TTB engine stand. Rocketdyne personnel from the HSL performed the task. The SAFD algorithm was developed as an improvement over the current redline system used in the Space Shuttle Main Engine Controller (SSMEC). Simulation tests and execution against previous hot fire tests demonstrated that the SAFD algorithm can detect engine failure as much as tens of seconds before the redline system recognized the failure. Although the current algorithm only operates during steady state conditions (engine not throttling), work is underway to expand the algorithm to work during transient condition.

Vascular uptake of rehydration fluids in hypohydrated men at rest and exercise

NASA Technical Reports Server (NTRS)

Greenleaf, J. E.; Geelen, G.; Jackson, C. G. R.; Saumet, J.-L.; Juhos, L. T.; Keil, L. C.; Fegan-Meyer, D.; Dearborn, A.; Hinghofer-Szalkay, H.; Whittam, J. H.

1992-01-01

The purpose of this study was to formulate and to evaluate rehydration drinks, which would restore total body water and plasma volume (PV), for astronauts to consume before and during extravehicular activity, a few hours before reentry, and immediately after landing. In the first experiment (rest, sitting), five healthy men (23-41 yr), previously dehydrated for 24 hr., drank six (1a, 2, 4, 5, 6, 7) fluid formulations (one each at weekly intervals) and then sat for 70 min. Pre-test PV were measured with Evans blue dye and changes in PV were calculated with the hematocrit-hemoglobin transformation equation. This rest experiment simulated hypohydrated astronauts preparing for reentry. The second experiment (exercise, supine) followed the same protocol except four healthy men (30-46 yr) worked for 70 min. in the supine position on a cycle ergometer at a mean load of 71+/-1 percent of their peak aerobic work capacity. This exercise experiment simulated conditions for astronauts with reduced total body water engaging in extravehicular activity.

Lubrication mechanisms of hollow-core inorganic fullerene-like nanoparticles: coupling experimental and computational works

NASA Astrophysics Data System (ADS)

Lahouij, I.; Bucholz, E. W.; Vacher, B.; Sinnott, S. B.; Martin, J. M.; Dassenoy, F.

2012-09-01

Inorganic fullerene-like (IF) nanoparticles made of metal dichalcogenides have previously been recognized to be good friction modifiers and anti-wear additives under boundary lubrication conditions. The tribological performance of these particles appears to be a result of their size, structure and morphology, along with the test conditions. However, the very small scale of the IF nanoparticles makes distinguishing the properties which affect the lubrication mechanism exceedingly difficult. In this work, a high resolution transmission electron microscope equipped with a nanoindentation holder is used to manipulate individual hollow IF-WS2 nanoparticles and to investigate their responses to compression. Additional atomistic molecular dynamics (MD) simulations of similarly structured, individual hollow IF-MoS2 nanoparticles are performed for compression studies between molybdenum surfaces on their major and minor axis diameters. MD simulations of these structures allows for characterization of the influence of structural orientation on the mechanical behavior and nano-sheet exfoliation of hollow-core IF nanoparticles. The experimental and theoretical results for these similar nanoparticles are qualitatively compared.

Lubrication mechanisms of hollow-core inorganic fullerene-like nanoparticles: coupling experimental and computational works.

PubMed

Lahouij, I; Bucholz, E W; Vacher, B; Sinnott, S B; Martin, J M; Dassenoy, F

2012-09-21

Inorganic fullerene-like (IF) nanoparticles made of metal dichalcogenides have previously been recognized to be good friction modifiers and anti-wear additives under boundary lubrication conditions. The tribological performance of these particles appears to be a result of their size, structure and morphology, along with the test conditions. However, the very small scale of the IF nanoparticles makes distinguishing the properties which affect the lubrication mechanism exceedingly difficult. In this work, a high resolution transmission electron microscope equipped with a nanoindentation holder is used to manipulate individual hollow IF-WS(2) nanoparticles and to investigate their responses to compression. Additional atomistic molecular dynamics (MD) simulations of similarly structured, individual hollow IF-MoS(2) nanoparticles are performed for compression studies between molybdenum surfaces on their major and minor axis diameters. MD simulations of these structures allows for characterization of the influence of structural orientation on the mechanical behavior and nano-sheet exfoliation of hollow-core IF nanoparticles. The experimental and theoretical results for these similar nanoparticles are qualitatively compared.

High β effects on cosmic ray streaming in galaxy clusters

NASA Astrophysics Data System (ADS)

Wiener, Joshua; Zweibel, Ellen G.; Oh, S. Peng

2018-01-01

Diffuse, extended radio emission in galaxy clusters, commonly referred to as radio haloes, indicate the presence of high energy cosmic ray (CR) electrons and cluster-wide magnetic fields. We can predict from theory the expected surface brightness of a radio halo, given magnetic field and CR density profiles. Previous studies have shown that the nature of CR transport can radically effect the expected radio halo emission from clusters (Wiener, Oh & Guo 2013). Reasonable levels of magnetohydrodynamic (MHD) wave damping can lead to significant CR streaming speeds. But a careful treatment of MHD waves in a high β plasma, as expected in cluster environments, reveals damping rates may be enhanced by a factor of β1/2. This leads to faster CR streaming and lower surface brightnesses than without this effect. In this work, we re-examine the simplified, 1D Coma cluster simulations (with radial magnetic fields) of Wiener et al. (2013) and discuss observable consequences of this high β damping. Future work is required to study this effect in more realistic simulations.

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

Chen, Qiang, E-mail: cq0405@126.com; Luoyang Electronic Equipment Testing Center, Luoyang 471000; Chen, Bin, E-mail: emcchen@163.com

The Rayleigh-Taylor (R-T) instabilities are important hydrodynamics and magnetohydrodynamics (MHD) phenomena that are found in systems in high energy density physics and normal fluids. The formation and evolution of the R-T instability at channel boundary during back-flow of the lightning return stroke are analyzed using the linear perturbation theory and normal mode analysis methods, and the linear growth rate of the R-T instability in typical condition for lightning return stroke channel is obtained. Then, the R-T instability phenomena of lightning return stroke are simulated using a two-dimensional Eulerian finite volumes resistive radiation MHD code. The numerical results show that themore » evolution characteristics of the R-T instability in the early stage of back-flow are consistent with theoretical predictions obtained by linear analysis. The simulation also yields more evolution characteristics for the R-T instability beyond the linear theory. The results of this work apply to some observed features of the return stroke channel and further advance previous theoretical and experimental work.« less

Multiphase flow simulations of a moving fluidized bed regenerator in a carbon capture unit

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

Sarkar, Avik; Pan, Wenxiao; Suh, Dong-Myung

2014-10-01

To accelerate the commercialization and deployment of carbon capture technologies, computational fluid dynamics (CFD)-based tools may be used to model and analyze the performance of carbon capture devices. This work presents multiphase CFD-based flow simulations for the regeneration device responsible for extracting CO 2 from CO 2-loaded sorbent particles before the particles are recycled. The use of solid particle sorbents in this design is a departure from previously reported systems, where aqueous sorbents are employed. Another new feature is the inclusion of a series of perforated plates along the regenerator height. The influence of these plates on sorbent distribution ismore » examined for varying sorbent holdup, fluidizing gas velocity, and particle size. The residence time distribution of sorbents is also measured to classify the low regime as plug flow or well-mixed flow. The purpose of this work is to better understand the sorbent flow characteristics before reaction kinetics of CO 2 desorption can be implemented.« less

Output-feedback control of combined sewer networks through receding horizon control with moving horizon estimation

NASA Astrophysics Data System (ADS)

Joseph-Duran, Bernat; Ocampo-Martinez, Carlos; Cembrano, Gabriela

2015-10-01

An output-feedback control strategy for pollution mitigation in combined sewer networks is presented. The proposed strategy provides means to apply model-based predictive control to large-scale sewer networks, in-spite of the lack of measurements at most of the network sewers. In previous works, the authors presented a hybrid linear control-oriented model for sewer networks together with the formulation of Optimal Control Problems (OCP) and State Estimation Problems (SEP). By iteratively solving these problems, preliminary Receding Horizon Control with Moving Horizon Estimation (RHC/MHE) results, based on flow measurements, were also obtained. In this work, the RHC/MHE algorithm has been extended to take into account both flow and water level measurements and the resulting control loop has been extensively simulated to assess the system performance according different measurement availability scenarios and rain events. All simulations have been carried out using a detailed physically based model of a real case-study network as virtual reality.

Mechanics of undulatory swimming in a frictional fluid.

PubMed

Ding, Yang; Sharpe, Sarah S; Masse, Andrew; Goldman, Daniel I

2012-01-01

The sandfish lizard (Scincus scincus) swims within granular media (sand) using axial body undulations to propel itself without the use of limbs. In previous work we predicted average swimming speed by developing a numerical simulation that incorporated experimentally measured biological kinematics into a multibody sandfish model. The model was coupled to an experimentally validated soft sphere discrete element method simulation of the granular medium. In this paper, we use the simulation to study the detailed mechanics of undulatory swimming in a "granular frictional fluid" and compare the predictions to our previously developed resistive force theory (RFT) which models sand-swimming using empirically determined granular drag laws. The simulation reveals that the forward speed of the center of mass (CoM) oscillates about its average speed in antiphase with head drag. The coupling between overall body motion and body deformation results in a non-trivial pattern in the magnitude of lateral displacement of the segments along the body. The actuator torque and segment power are maximal near the center of the body and decrease to zero toward the head and the tail. Approximately 30% of the net swimming power is dissipated in head drag. The power consumption is proportional to the frequency in the biologically relevant range, which confirms that frictional forces dominate during sand-swimming by the sandfish. Comparison of the segmental forces measured in simulation with the force on a laterally oscillating rod reveals that a granular hysteresis effect causes the overestimation of the body thrust forces in the RFT. Our models provide detailed testable predictions for biological locomotion in a granular environment.

Mechanics of Undulatory Swimming in a Frictional Fluid

PubMed Central

Ding, Yang; Sharpe, Sarah S.; Masse, Andrew; Goldman, Daniel I.

2012-01-01

The sandfish lizard (Scincus scincus) swims within granular media (sand) using axial body undulations to propel itself without the use of limbs. In previous work we predicted average swimming speed by developing a numerical simulation that incorporated experimentally measured biological kinematics into a multibody sandfish model. The model was coupled to an experimentally validated soft sphere discrete element method simulation of the granular medium. In this paper, we use the simulation to study the detailed mechanics of undulatory swimming in a “granular frictional fluid” and compare the predictions to our previously developed resistive force theory (RFT) which models sand-swimming using empirically determined granular drag laws. The simulation reveals that the forward speed of the center of mass (CoM) oscillates about its average speed in antiphase with head drag. The coupling between overall body motion and body deformation results in a non-trivial pattern in the magnitude of lateral displacement of the segments along the body. The actuator torque and segment power are maximal near the center of the body and decrease to zero toward the head and the tail. Approximately 30% of the net swimming power is dissipated in head drag. The power consumption is proportional to the frequency in the biologically relevant range, which confirms that frictional forces dominate during sand-swimming by the sandfish. Comparison of the segmental forces measured in simulation with the force on a laterally oscillating rod reveals that a granular hysteresis effect causes the overestimation of the body thrust forces in the RFT. Our models provide detailed testable predictions for biological locomotion in a granular environment. PMID:23300407

A Library of ATMO Forward Model Transmission Spectra for Hot Jupiter Exoplanets

NASA Technical Reports Server (NTRS)

Goyal, Jayesh M.; Mayne, Nathan; Sing, David K.; Drummond, Benjamin; Tremblin, Pascal; Amundsen, David S.; Evans, Thomas; Carter, Aarynn L.; Spake, Jessica; Baraffe, Isabelle;

A library of ATMO forward model transmission spectra for hot Jupiter exoplanets

NASA Astrophysics Data System (ADS)

Goyal, Jayesh M.; Mayne, Nathan; Sing, David K.; Drummond, Benjamin; Tremblin, Pascal; Amundsen, David S.; Evans, Thomas; Carter, Aarynn L.; Spake, Jessica; Baraffe, Isabelle; Nikolov, Nikolay; Manners, James; Chabrier, Gilles; Hebrard, Eric

2018-03-01

We present a grid of forward model transmission spectra, adopting an isothermal temperature-pressure profile, alongside corresponding equilibrium chemical abundances for 117 observationally significant hot exoplanets (equilibrium temperatures of 547-2710 K). This model grid has been developed using a 1D radiative-convective-chemical equilibrium model termed ATMO, with up-to-date high-temperature opacities. We present an interpretation of observations of 10 exoplanets, including best-fitting parameters and χ2 maps. In agreement with previous works, we find a continuum from clear to hazy/cloudy atmospheres for this sample of hot Jupiters. The data for all the 10 planets are consistent with subsolar to solar C/O ratio, 0.005 to 10 times solar metallicity and water rather than methane-dominated infrared spectra. We then explore the range of simulated atmospheric spectra for different exoplanets, based on characteristics such as temperature, metallicity, C/O ratio, haziness and cloudiness. We find a transition value for the metallicity between 10 and 50 times solar, which leads to substantial changes in the transmission spectra. We also find a transition value of C/O ratio, from water to carbon species dominated infrared spectra, as found by previous works, revealing a temperature dependence of this transition point ranging from ˜0.56 to ˜1-1.3 for equilibrium temperatures from ˜900 to ˜2600 K. We highlight the potential of the spectral features of HCN and C2H2 to constrain the metallicities and C/O ratios of planets, using James Webb Space Telescope (JWST) observations. Finally, our entire grid (˜460 000 simulations) is publicly available and can be used directly with the JWST simulator PandExo for planning observations.

Voluntary autonomous simulator based training in minimally invasive surgery, residents' compliance and reflection.

PubMed

van Empel, Pieter J; Verdam, Mathilde G E; Strypet, Magnus; van Rijssen, Lennart B; Huirne, Judith A; Scheele, Fedde; Bonjer, H Jaap; Meijerink, W Jeroen

2012-01-01

Knot tying and suturing skills in minimally invasive surgery (MIS) differ markedly from those in open surgery. Appropriate MIS training is mandatory before implementation into practice. The Advanced Suturing Course (ASC) is a structured simulator based training course that includes a 6-week autonomous training period at home on a traditional laparoscopic box trainer. Previous research did not demonstrate a significant progress in laparoscopic skills after this training period. This study aims to identify factors determining autonomous training on a laparoscopic box trainer at home. Residents (n = 97) attending 1 of 7 ASC courses between January 2009 and June 2011 were consecutively included. After 6 weeks of autonomous, training a questionnaire was completed. A random subgroup of 30 residents was requested to keep a time log. All residents received an online survey after attending the ASC. We performed outcome comparison to examine the accuracy of individual responses. Out of 97 residents, the main motives for noncompliant autonomous training included a lack of (training) time after working hours (n = 80, 83.3%), preferred practice time during working hours (n = 76, 31.6%), or another surgical interest than MIS (n = 79, 15.2%). Previously set training goals would encourage autonomous training according to 27.8% (n = 18) of residents. Thirty participants submitted a time log and reported an average 76.5-minute weekly training time. All residents confirmed that autonomous home practice on a laparoscopic box trainer is valuable. Autonomous practice should be structured and inclusive of adequate and sufficient feedback points. A minimally required practice time should be set. An obligatory assessment, including corresponding consequence should be conducted. Compliance herewith may result in increased voluntary (autonomous) simulator based (laparoscopic) training by residents. Copyright © 2012 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

Protein surface roughness accounts for binding free energy of Plasmepsin II-ligand complexes.

PubMed

Valdés-Tresanco, Mario E; Valdés-Tresanco, Mario S; Valiente, Pedro A; Cocho, Germinal; Mansilla, Ricardo; Nieto-Villar, J M

2018-01-01

The calculation of absolute binding affinities for protein-inhibitor complexes remains as one of the main challenges in computational structure-based ligand design. The present work explored the calculations of surface fractal dimension (as a measure of surface roughness) and the relationship with experimental binding free energies of Plasmepsin II complexes. Plasmepsin II is an attractive target for novel therapeutic compounds to treat malaria. However, the structural flexibility of this enzyme is a drawback when searching for specific inhibitors. Concerning that, we performed separate explicitly solvated molecular dynamics simulations using the available high-resolution crystal structures of different Plasmepsin II complexes. Molecular dynamics simulations allowed a better approximation to systems dynamics and, therefore, a more reliable estimation of surface roughness. This constitutes a novel approximation in order to obtain more realistic values of fractal dimension, because previous works considered only x-ray structures. Binding site fractal dimension was calculated considering the ensemble of structures generated at different simulation times. A linear relationship between binding site fractal dimension and experimental binding free energies of the complexes was observed within 20 ns. Previous studies of the subject did not uncover this relationship. Regression model, coined FD model, was built to estimate binding free energies from binding site fractal dimension values. Leave-one-out cross-validation showed that our model reproduced accurately the absolute binding free energies for our training set (R 2  = 0.76; <|error|> =0.55 kcal/mol; SD error  = 0.19 kcal/mol). The fact that such a simple model may be applied raises some questions that are addressed in the article. Copyright © 2017 John Wiley & Sons, Ltd.

Accuracy of Monte Carlo simulations compared to in-vivo MDCT dosimetry

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

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

Purpose: The purpose of this study was to assess the accuracy of a Monte Carlo simulation-based method for estimating radiation dose from multidetector computed tomography (MDCT) by comparing simulated doses in ten patients to in-vivo dose measurements. Methods: MD Anderson Cancer Center Institutional Review Board approved the acquisition of in-vivo rectal dose measurements in a pilot study of ten patients undergoing virtual colonoscopy. The dose measurements were obtained by affixing TLD capsules to the inner lumen of rectal catheters. Voxelized patient models were generated from the MDCT images of the ten patients, and the dose to the TLD for allmore » exposures was estimated using Monte Carlo based simulations. The Monte Carlo simulation results were compared to the in-vivo dose measurements to determine accuracy. Results: The calculated mean percent difference between TLD measurements and Monte Carlo simulations was −4.9% with standard deviation of 8.7% and a range of −22.7% to 5.7%. Conclusions: The results of this study demonstrate very good agreement between simulated and measured doses in-vivo. Taken together with previous validation efforts, this work demonstrates that the Monte Carlo simulation methods can provide accurate estimates of radiation dose in patients undergoing CT examinations.« less

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.

Electrostatic plasma simulation by Particle-In-Cell method using ANACONDA package

NASA Astrophysics Data System (ADS)

Blandón, J. S.; Grisales, J. P.; Riascos, H.

2017-06-01

Electrostatic plasma is the most representative and basic case in plasma physics field. One of its main characteristics is its ideal behavior, since it is assumed be in thermal equilibrium state. Through this assumption, it is possible to study various complex phenomena such as plasma oscillations, waves, instabilities or damping. Likewise, computational simulation of this specific plasma is the first step to analyze physics mechanisms on plasmas, which are not at equilibrium state, and hence plasma is not ideal. Particle-In-Cell (PIC) method is widely used because of its precision for this kind of cases. This work, presents PIC method implementation to simulate electrostatic plasma by Python, using ANACONDA packages. The code has been corroborated comparing previous theoretical results for three specific phenomena in cold plasmas: oscillations, Two-Stream instability (TSI) and Landau Damping(LD). Finally, parameters and results are discussed.

Measurement of the Shock Velocity and Symmetry History in Decaying Shock Pulses

NASA Astrophysics Data System (ADS)

Baker, Kevin; Milovich, Jose; Jones, Oggie; Robey, Harry; Smalyuk, Vladimir; Casey, Daniel; Celliers, Peter; Clark, Dan; Giraldez, Emilio; Haan, Steve; Hamza, Alex; Berzak-Hopkins, Laura; Jancaitis, Ken; Kroll, Jeremy; Lafortune, Kai; MacGowan, Brian; Macphee, Andrew; Moody, John; Nikroo, Abbas; Peterson, Luc; Raman, Kumar; Weber, Chris; Widmayer, Clay

2014-10-01

Decaying first shock pulses are predicted in simulations to provide more stable implosions and still achieve a low adiabat in the fuel, enabling a higher fuel compression similar to ``low foot'' laser pulses. The first step in testing these predictions was to measure the shock velocity for both a three shock and a four shock adiabat-shaped pulse in a keyhole experimental platform. We present measurements of the shock velocity history, including the decaying shock velocity inside the ablator, and compare it with simulations, as well as with previous low and high foot pulses. Using the measured pulse shape, the predicted adiabat from simulations is presented and compared with the calculated adiabat from low and high foot laser pulse shapes. This work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

Simulations towards optimization of a neutron/anti-neutron oscillation experiment at the European Spallation Source

NASA Astrophysics Data System (ADS)

Frost, Matthew; Kamyshkov, Yuri; Castellanos, Luis; Klinkby, Esben; US NNbar Collaboration

2015-04-01

The observation of Neutron/Anti-neutron oscillation would prove the existence of Baryon Number Violation (BNV), and thus an explanation for the dominance of matter over anti-matter in the universe. The latest experiments have shown the oscillation time to be greater than 8.6 x 107 seconds, whereas current theoretical predictions suggest times on the order of 108 to 109 seconds. A neutron oscillation experiment proposed at the European Spallation Source (ESS) would provide sensitivity of more than 1000 times previous experiments performed, thus providing a result well-suited to confirm or deny current theory. A conceptual design of the proposed experiment will be presented, as well as the optimization of key experiment components using Monte-Carlo simulation methods, including the McStas neutron ray-trace simulation package. This work is supported by the Organized Research Units Program funded by The University of Tennessee, Knoxville Office of Research and Engagement.

Reading Aloud: Discrete Stage(s) Redux

PubMed Central

Robidoux, Serje; Besner, Derek

2017-01-01

Interactive activation accounts of processing have had a broad and deep influence on cognitive psychology, particularly so in the context of computational accounts of reading aloud at the single word level. Here we address the issue of whether such a framework can simulate the joint effects of stimulus quality and word frequency (which have been shown to produce both additive and interactive effects depending on the context). We extend previous work on this question by considering an alternative implementation of a stimulus quality manipulation, and the role of interactive activation. Simulations with a version of the Dual Route Cascaded model (a model with interactive activation dynamics along the lexical route) demonstrate that the model is unable to simulate the entire pattern seen in human performance. We discuss how a hybrid interactive activation model that includes some context dependent staged processing could accommodate these data. PMID:28289395

Investigation by Monte Carlo simulation of substitution doping in the Double Perovskite Sr2CrRe1-xWxO6

NASA Astrophysics Data System (ADS)

El Rhazouani, O.; Benyoussef, A.

2018-01-01

Re-substitution doping by W has been investigated in the Double Perovskite (DP) Sr2CrRe1-xWxO6 for x ranging from 10 to 90% by using a Monte Carlo Simulation (MCS) in the framework of Ising model. Exchange couplings used in the simulation have been approximated in previous work for experimental Curie temperatures (TC). Doping effect on: partial and total magnetization, magnetic susceptibility, internal energy, specific heat, and Curie temperature has been studied. A sharp drop of partial magnetizations at 40% of W-concentration has been noticed at the magnetic transition. Apparition of a non-monotonic behavior of the total magnetization at 20% of W-concentration. Effect of doping on the stability of the compound has been emphasized. A quasilinear decrease of TC has been observed by increasing the concentration percentage of substitution doping by W.

A conceptual modeling framework for discrete event simulation using hierarchical control structures.

PubMed

Furian, N; O'Sullivan, M; Walker, C; Vössner, S; Neubacher, D

2015-08-01

Conceptual Modeling (CM) is a fundamental step in a simulation project. Nevertheless, it is only recently that structured approaches towards the definition and formulation of conceptual models have gained importance in the Discrete Event Simulation (DES) community. As a consequence, frameworks and guidelines for applying CM to DES have emerged and discussion of CM for DES is increasing. However, both the organization of model-components and the identification of behavior and system control from standard CM approaches have shortcomings that limit CM's applicability to DES. Therefore, we discuss the different aspects of previous CM frameworks and identify their limitations. Further, we present the Hierarchical Control Conceptual Modeling framework that pays more attention to the identification of a models' system behavior, control policies and dispatching routines and their structured representation within a conceptual model. The framework guides the user step-by-step through the modeling process and is illustrated by a worked example.

A sequential coalescent algorithm for chromosomal inversions

PubMed Central

Peischl, S; Koch, E; Guerrero, R F; Kirkpatrick, M

2013-01-01

Chromosomal inversions are common in natural populations and are believed to be involved in many important evolutionary phenomena, including speciation, the evolution of sex chromosomes and local adaptation. While recent advances in sequencing and genotyping methods are leading to rapidly increasing amounts of genome-wide sequence data that reveal interesting patterns of genetic variation within inverted regions, efficient simulation methods to study these patterns are largely missing. In this work, we extend the sequential Markovian coalescent, an approximation to the coalescent with recombination, to include the effects of polymorphic inversions on patterns of recombination. Results show that our algorithm is fast, memory-efficient and accurate, making it feasible to simulate large inversions in large populations for the first time. The SMC algorithm enables studies of patterns of genetic variation (for example, linkage disequilibria) and tests of hypotheses (using simulation-based approaches) that were previously intractable. PMID:23632894

Diffusion kinetics of the glucose/glucose oxidase system in swift heavy ion track-based biosensors

NASA Astrophysics Data System (ADS)

Fink, Dietmar; Vacik, Jiri; Hnatowicz, V.; Muñoz Hernandez, G.; Garcia Arrelano, H.; Alfonta, Lital; Kiv, Arik

2017-05-01

For understanding of the diffusion kinetics and their optimization in swift heavy ion track-based biosensors, recently a diffusion simulation was performed. This simulation aimed at yielding the degree of enrichment of the enzymatic reaction products in the highly confined space of the etched ion tracks. A bunch of curves was obtained for the description of such sensors that depend only on the ratio of the diffusion coefficient of the products to that of the analyte within the tracks. As hitherto none of these two diffusion coefficients is accurately known, the present work was undertaken. The results of this paper allow one to quantify the previous simulation and hence yield realistic predictions of glucose-based biosensors. At this occasion, also the influence of the etched track radius on the diffusion coefficients was measured and compared with earlier prediction.

Activity coefficients from molecular simulations using the OPAS method

NASA Astrophysics Data System (ADS)

Kohns, Maximilian; Horsch, Martin; Hasse, Hans

2017-10-01

A method for determining activity coefficients by molecular dynamics simulations is presented. It is an extension of the OPAS (osmotic pressure for the activity of the solvent) method in previous work for studying the solvent activity in electrolyte solutions. That method is extended here to study activities of all components in mixtures of molecular species. As an example, activity coefficients in liquid mixtures of water and methanol are calculated for 298.15 K and 323.15 K at 1 bar using molecular models from the literature. These dense and strongly interacting mixtures pose a significant challenge to existing methods for determining activity coefficients by molecular simulation. It is shown that the new method yields accurate results for the activity coefficients which are in agreement with results obtained with a thermodynamic integration technique. As the partial molar volumes are needed in the proposed method, the molar excess volume of the system water + methanol is also investigated.

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

PubMed

Feenstra, Peter; Brunsteiner, Michael; Khinast, Johannes

2012-07-15

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

Bistable behavior of the lac operon in E. coli when induced with a mixture of lactose and TMG.

PubMed

Díaz-Hernández, Orlando; Santillán, Moisés

2010-01-01

In this work we investigate multistability in the lac operon of Escherichia coli when it is induced by a mixture of lactose and the non-metabolizable thiomethyl galactoside (TMG). In accordance with previously published experimental results and computer simulations, our simulations predict that: (1) when the system is induced by TMG, the system shows a discernible bistable behavior while, (2) when the system is induced by lactose, bistability does not disappear but excessively high concentrations of lactose would be required to observe it. Finally, our simulation results predict that when a mixture of lactose and TMG is used, the bistability region in the extracellular glucose concentration vs. extracellular lactose concentration parameter space changes in such a way that the model predictions regarding bistability could be tested experimentally. These experiments could help to solve a recent controversy regarding the existence of bistability in the lac operon under natural conditions.

A conceptual modeling framework for discrete event simulation using hierarchical control structures

PubMed Central

Furian, N.; O’Sullivan, M.; Walker, C.; Vössner, S.; Neubacher, D.

2015-01-01

Conceptual Modeling (CM) is a fundamental step in a simulation project. Nevertheless, it is only recently that structured approaches towards the definition and formulation of conceptual models have gained importance in the Discrete Event Simulation (DES) community. As a consequence, frameworks and guidelines for applying CM to DES have emerged and discussion of CM for DES is increasing. However, both the organization of model-components and the identification of behavior and system control from standard CM approaches have shortcomings that limit CM’s applicability to DES. Therefore, we discuss the different aspects of previous CM frameworks and identify their limitations. Further, we present the Hierarchical Control Conceptual Modeling framework that pays more attention to the identification of a models’ system behavior, control policies and dispatching routines and their structured representation within a conceptual model. The framework guides the user step-by-step through the modeling process and is illustrated by a worked example. PMID:26778940

Three-Dimensional Hybrid-Kinetic Simulations of Alfvénic Turbulence in the Solar Wind

NASA Astrophysics Data System (ADS)

Arzamasskiy, Lev; Kunz, Matthew; Chandran, Benjamin; Quataert, Eliot

2017-10-01

The interplanetary medium hosts a solar wind, which contains a broadband turbulent spectrum of large-amplitude Alfvén waves. In this talk, we present results from hybrid-kinetic simulations of this turbulent and essentially collisionless system. We confirm power-law indices obtained in previous analytical and numerical (e.g., gyrokinetic) studies, and carefully explore the location of the spectral break and physics occurring at the ion-Larmor scale. In the low-beta regime, we find evidence of perpendicular ion heating, which we interpret as stochastic heating arising from interactions between ions and strong fluctuations at wavelengths comparable to the ion-Larmor scale. We explore the dependence of ion heating on plasma beta. Finally, we discuss the interpretation of spacecraft measurements of this turbulence by testing the Taylor hypothesis with synthetic spacecraft measurements of our simulation data. This work was supported by NASA Grant NNX16AK09G.

Transactive Control of Commercial Building HVAC Systems

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

Corbin, Charles D.; Makhmalbaf, Atefe; Huang, Sen

This document details the development and testing of market-based transactive controls for building heating, ventilating and air conditioning (HVAC) systems. These controls are intended to serve the purposes of reducing electricity use through conservation, reducing peak building electric demand, and providing demand flexibility to assist with power system operations. This report is the summary of the first year of work conducted under Phase 1 of the Clean Energy and Transactive Campus Project. The methods and techniques described here were first investigated in simulation, and then subsequently deployed to a physical testbed on the Pacific Northwest National Laboratory (PNNL) campus formore » validation. In this report, we describe the models and control algorithms we have developed, testing of the control algorithms in simulation, and deployment to a physical testbed. Results from physical experiments support previous simulation findings, and provide insights for further improvement.« less

A Social Diffusion Model with an Application on Election Simulation

PubMed Central

Wang, Fu-Min; Hung, San-Chuan; Kung, Perng-Hwa; Lin, Shou-De

2014-01-01

Issues about opinion diffusion have been studied for decades. It has so far no empirical approach to model the interflow and formation of crowd's opinion in elections due to two reasons. First, unlike the spread of information or flu, individuals have their intrinsic attitudes to election candidates in advance. Second, opinions are generally simply assumed as single values in most diffusion models. However, in this case, an opinion should represent preference toward multiple candidates. Previously done models thus may not intuitively interpret such scenario. This work is to design a diffusion model which is capable of managing the aforementioned scenario. To demonstrate the usefulness of our model, we simulate the diffusion on the network built based on a publicly available bibliography dataset. We compare the proposed model with other well-known models such as independent cascade. It turns out that our model consistently outperforms other models. We additionally investigate electoral issues with our model simulator. PMID:24995351

Climate Impact of a Regional Nuclear Weapons Exchange: An Improved Assessment Based On Detailed Source Calculations

NASA Astrophysics Data System (ADS)

Reisner, Jon; D'Angelo, Gennaro; Koo, Eunmo; Even, Wesley; Hecht, Matthew; Hunke, Elizabeth; Comeau, Darin; Bos, Randall; Cooley, James

2018-03-01

We present a multiscale study examining the impact of a regional exchange of nuclear weapons on global climate. Our models investigate multiple phases of the effects of nuclear weapons usage, including growth and rise of the nuclear fireball, ignition and spread of the induced firestorm, and comprehensive Earth system modeling of the oceans, land, ice, and atmosphere. This study follows from the scenario originally envisioned by Robock, Oman, Stenchikov, et al. (2007, https://doi.org/10.5194/acp-7-2003-2007), based on the analysis of Toon et al. (2007, https://doi.org/10.5194/acp-7-1973-2007), which assumes a regional exchange between India and Pakistan of fifty 15 kt weapons detonated by each side. We expand this scenario by modeling the processes that lead to production of black carbon, in order to refine the black carbon forcing estimates of these previous studies. When the Earth system model is initiated with 5 × 109 kg of black carbon in the upper troposphere (approximately from 9 to 13 km), the impact on climate variables such as global temperature and precipitation in our simulations is similar to that predicted by previously published work. However, while our thorough simulations of the firestorm produce about 3.7 × 109 kg of black carbon, we find that the vast majority of the black carbon never reaches an altitude above weather systems (approximately 12 km). Therefore, our Earth system model simulations conducted with model-informed atmospheric distributions of black carbon produce significantly lower global climatic impacts than assessed in prior studies, as the carbon at lower altitudes is more quickly removed from the atmosphere. In addition, our model ensembles indicate that statistically significant effects on global surface temperatures are limited to the first 5 years and are much smaller in magnitude than those shown in earlier works. None of the simulations produced a nuclear winter effect. We find that the effects on global surface temperatures are not uniform and are concentrated primarily around the highest arctic latitudes, dramatically reducing the global impact on human health and agriculture compared with that reported by earlier studies. Our analysis demonstrates that the probability of significant global cooling from a limited exchange scenario as envisioned in previous studies is highly unlikely, a conclusion supported by examination of natural analogs, such as large forest fires and volcanic eruptions.

Climate impact of a regional nuclear weapons exchange: An improved assessment based on detailed source calculations

DOE PAGES

Reisner, Jon Michael; D'Angelo, Gennaro; Koo, Eunmo; ...

2018-02-13

In this paper, we present a multi-scale study examining the impact of a regional exchange of nuclear weapons on global climate. Our models investigate multiple phases of the effects of nuclear weapons usage, including growth and rise of the nuclear fireball, ignition and spread of the induced firestorm, and comprehensive Earth system modeling of the oceans, land, ice, and atmosphere. This study follows from the scenario originally envisioned by Robock et al. (2007a), based on the analysis of Toon et al. (2007), which assumes a regional exchange between India and Pakistan of fifty 15-kiloton weapons detonated by each side. Wemore » expand this scenario by modeling the processes that lead to production of black carbon, in order to refine the black carbon forcing estimates of these previous studies. When the Earth system model is initiated with 5 × 10 9 kg of black carbon in the upper troposphere (approximately 9 to 13 km), the impact on climate variables such as global temperature and precipitation in our simulations is similar to that predicted by previously published work. However, while our thorough simulations of the firestorm produce about 3.7 × 10 9 kg of black carbon, we find that the vast majority of the black carbon never reaches an altitude above weather systems (approximately 12 km). Therefore, our Earth system model simulations conducted with model-informed atmospheric distributions of black carbon produce significantly lower global climatic impacts than assessed in prior studies, as the carbon at lower altitudes is more quickly removed from the atmosphere. In addition, our model ensembles indicate that statistically significant effects on global surface temperatures are limited to the first 5 years and are much smaller in magnitude than those shown in earlier works. None of the simulations produced a nuclear winter effect. We find that the effects on global surface temperatures are not uniform and are concentrated primarily around the highest arctic latitudes, dramatically reducing the global impact on human health and agriculture compared with that reported by earlier studies. Lastly, our analysis demonstrates that the probability of significant global cooling from a limited exchange scenario as envisioned in the previous studies is highly unlikely, a conclusion supported by examination of natural analogs, such as large forest fires and volcanic eruptions.« less

Climate impact of a regional nuclear weapons exchange: An improved assessment based on detailed source calculations

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

Reisner, Jon Michael; D'Angelo, Gennaro; Koo, Eunmo

In this paper, we present a multi-scale study examining the impact of a regional exchange of nuclear weapons on global climate. Our models investigate multiple phases of the effects of nuclear weapons usage, including growth and rise of the nuclear fireball, ignition and spread of the induced firestorm, and comprehensive Earth system modeling of the oceans, land, ice, and atmosphere. This study follows from the scenario originally envisioned by Robock et al. (2007a), based on the analysis of Toon et al. (2007), which assumes a regional exchange between India and Pakistan of fifty 15-kiloton weapons detonated by each side. Wemore » expand this scenario by modeling the processes that lead to production of black carbon, in order to refine the black carbon forcing estimates of these previous studies. When the Earth system model is initiated with 5 × 10 9 kg of black carbon in the upper troposphere (approximately 9 to 13 km), the impact on climate variables such as global temperature and precipitation in our simulations is similar to that predicted by previously published work. However, while our thorough simulations of the firestorm produce about 3.7 × 10 9 kg of black carbon, we find that the vast majority of the black carbon never reaches an altitude above weather systems (approximately 12 km). Therefore, our Earth system model simulations conducted with model-informed atmospheric distributions of black carbon produce significantly lower global climatic impacts than assessed in prior studies, as the carbon at lower altitudes is more quickly removed from the atmosphere. In addition, our model ensembles indicate that statistically significant effects on global surface temperatures are limited to the first 5 years and are much smaller in magnitude than those shown in earlier works. None of the simulations produced a nuclear winter effect. We find that the effects on global surface temperatures are not uniform and are concentrated primarily around the highest arctic latitudes, dramatically reducing the global impact on human health and agriculture compared with that reported by earlier studies. Lastly, our analysis demonstrates that the probability of significant global cooling from a limited exchange scenario as envisioned in the previous studies is highly unlikely, a conclusion supported by examination of natural analogs, such as large forest fires and volcanic eruptions.« less

Three-dimensional Simulations of Jets from Keplerian Disks: Self-regulatory Stability

NASA Astrophysics Data System (ADS)

Ouyed, Rachid; Clarke, David A.; Pudritz, Ralph E.

2003-01-01

We present the extension of previous two-dimensional simulations of the time-dependent evolution of nonrelativistic outflows from the surface of Keplerian accretion disks to three dimensions. As in the previous work, we investigate the outflow that arises from a magnetized accretion disk that is initially in hydrostatic balance with its surrounding cold corona. The accretion disk itself is taken to provide a set of fixed boundary conditions for the problem. We find that the mechanism of jet acceleration is identical to what was established from the previous two-dimensional simulations. The three-dimensional results are consistent with the theory of steady, axisymmetric, centrifugally driven disk winds up to the Alfvén surface of the outflow. Beyond the Alfvén surface, however, the jet in three dimensions becomes unstable to nonaxisymmetric, Kelvin-Helmholtz instabilities. The most important result of our work is that while the jet is unstable at super-Alfvénic speeds, it survives the onset of unstable modes that appear in this physical regime. We show that jets maintain their long-term stability through a self-limiting process wherein the average Alfvénic Mach number within the jet is maintained to the order of unity. This is accomplished in at least two ways. First, the poloidal magnetic field is concentrated along the central axis of the jet forming a ``backbone'' in which the Alfvén speed is sufficiently high to reduce the average jet Alfvénic Mach number to unity. Second, the onset of higher order Kelvin-Helmholtz ``flute'' modes (m>=2) reduces the efficiency with which the jet material is accelerated and transfers kinetic energy of the outflow into the stretched, poloidal field lines of the distorted jet. This too has the effect of increasing the Alfvén speed and thereby reducing the Alfvénic Mach number. The jet is able to survive the onset of the more destructive m=1 mode in this way. Our simulations also show that jets can acquire corkscrew or wobbling types of geometries in this relatively stable end state depending on the nature of the perturbations on them. Finally, we suggest that jets go into alternating periods of low and high activity since the disappearance of unstable modes in the sub-Alfvénic regime enables another cycle of acceleration to super-Alfvénic speeds.

Striped gold nanoparticles: New insights from molecular dynamics simulations

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

Velachi, Vasumathi, E-mail: vasuphy@gmail.com; Cordeiro, M. Natália D. S., E-mail: ncordeir@fc.up.pt; Bhandary, Debdip

Recent simulations have improved our knowledge of the molecular-level structure and hydration properties of mixed self-assembled monolayers (SAMs) with equal and unequal alkyl thiols at three different arrangements, namely, random, patchy, and Janus. In our previous work [V. Vasumathi et al., J. Phys. Chem. C 119, 3199–3209 (2015)], we showed that the bending of longer thiols over shorter ones clearly depends on the thiols’ arrangements and chemical nature of their terminal groups. In addition, such a thiol bending revealed to have a strong impact on the structural and hydration properties of SAMs coated on gold nanoparticles (AuNPs). In this paper,more » we extend our previous atomistic simulation study to investigate the bending of longer thiols by increasing the stripe thickness of mixed SAMs of equal and unequal lengths coated on AuNPs. We study also the effect of stripe thickness on the structural morphology and hydration of the coated SAMs. Our results show that the structural and hydration properties of SAMs are affected by the stripe thickness for mixtures of alkyl thiols with unequal chain length but not for equal length. Hence, the stability of the stripe configuration depends on the alkyl’s chain length, the length difference between the thiol mixtures, and solvent properties.« less

On the suitability of Synbone® as a tissue simulant

NASA Astrophysics Data System (ADS)

Appleby-Thomas, Gareth; Fitzmaurice, Brianna; Hameed, Amer; Wood, David; Gibson, Mike; Painter, Jonathan

2015-06-01

The applicability of various materials as human tissue analogues has been a topic of increasing interest in recent years. It allows for more cost-effective experiments to be carried out, but also avoids ethical issues that would arise from using real human tissue. Synbone® , a porous polyurethane material, is commonly used in ballistic experiments as a bone simulant, but until now has not been characterised in terms of its dynamic behaviour. Here, the Hugoniot equation-of-state (EOS) for Synbone® has been derived via a series of plate-impact experiments; highlighting the importance of the underlying material structure in terms of material collapse under high strain-rates. A series of ballistic tests were also undertaken to provide further insight into the ballistic response of Synbone® and its potential role as a tissue simulant. This work - following on from previous in-house studies of other tissue analogues - has provided useful data for future simulation of this material. In addition, comparison to dynamic data for other tissue and simulant materials has highlighted the importance of considering tissue as non-monolithic; each layer of tissue should ideally be represented by its own simulant in ballistic experiments.

Particle-in-cell simulations of the lower-hybrid instability driven by an ion-ring distribution

NASA Astrophysics Data System (ADS)

Swanekamp, Stephen; Richardson, Steve; Mithaiwala, Manish; Crabtree, Chris

2013-10-01

Fully electromagnetic particle-in-cell simulations of the excitation of the lower-hybrid mode in a plasma driven by an ion-ring distribution using the Lsp code are presented. At early times the simulations agree with linear theory. The resulting wave evolution and non-linear plasma and ring-ion heating are compared with theoretical models [Mithaiwala et al. 2010; Crabtree et al., this meeting] and previous simulation results [Winske and Daughton, 2012]. 2D simulations show that when the magnetic field is perpendicular to the wave vector, k, the electrostatic potential fluctuations work in conjunction with the applied magnetic field causing a circular electron E ×B drift around a positively charged center. Similar phenomena are observed in 2D simulations of magnetic-field penetration into a spatially inhomogeneous unmagnetized plasma [Richardson et al., this meeting] where circular paramagnetic vortices are formed. These vortices are altered by the addition of a small, in-plane, component of magnetic field which allows electrons to stream along field lines effectively shorting out one component of the electric field. In this case, the vortex structures are no longer circular but elongated along the direction of the in-plane magnetic field component.

Simulating the x-ray image contrast to setup techniques with desired flaw detectability

NASA Astrophysics Data System (ADS)

Koshti, Ajay M.

2015-04-01

The paper provides simulation data of previous work by the author in developing a model for estimating detectability of crack-like flaws in radiography. The methodology is developed to help in implementation of NASA Special x-ray radiography qualification, but is generically applicable to radiography. The paper describes a method for characterizing the detector resolution. Applicability of ASTM E 2737 resolution requirements to the model are also discussed. The paper describes a model for simulating the detector resolution. A computer calculator application, discussed here, also performs predicted contrast and signal-to-noise ratio calculations. Results of various simulation runs in calculating x-ray flaw size parameter and image contrast for varying input parameters such as crack depth, crack width, part thickness, x-ray angle, part-to-detector distance, part-to-source distance, source sizes, and detector sensitivity and resolution are given as 3D surfaces. These results demonstrate effect of the input parameters on the flaw size parameter and the simulated image contrast of the crack. These simulations demonstrate utility of the flaw size parameter model in setting up x-ray techniques that provide desired flaw detectability in radiography. The method is applicable to film radiography, computed radiography, and digital radiography.

CIELO Collaboration Summary Results: International Evaluations of Neutron Reactions on Uranium, Plutonium, Iron, Oxygen and Hydrogen

DOE PAGES

Chadwick, M. B.; Capote, R.; Trkov, A.; ...

2018-03-07

The CIELO collaboration has studied neutron cross sections on nuclides that significantly impact criticality in nuclear technologies - 235,238U, 239Pu, 56Fe, 16O and 1H - with the aim of improving the accuracy of the data and resolving previous discrepancies in our understanding. This multi-laboratory pilot project, coordinated via the OECD/NEA Working Party on Evaluation Cooperation (WPEC) Subgroup 40 with support also from the IAEA, has motivated experimental and theoretical work and led to suites of new evaluated libraries that accurately reflect measured data and also perform well in integral simulations of criticality. This report summarizes our results on cross sectionsmore » and preliminary work on covariances, and outlines plans for the next phase of this collaboration.« less

CIELO Collaboration Summary Results: International Evaluations of Neutron Reactions on Uranium, Plutonium, Iron, Oxygen and Hydrogen

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

Chadwick, M. B.; Capote, R.; Trkov, A.

The CIELO collaboration has studied neutron cross sections on nuclides that significantly impact criticality in nuclear technologies - 235,238U, 239Pu, 56Fe, 16O and 1H - with the aim of improving the accuracy of the data and resolving previous discrepancies in our understanding. This multi-laboratory pilot project, coordinated via the OECD/NEA Working Party on Evaluation Cooperation (WPEC) Subgroup 40 with support also from the IAEA, has motivated experimental and theoretical work and led to suites of new evaluated libraries that accurately reflect measured data and also perform well in integral simulations of criticality. This report summarizes our results on cross sectionsmore » and preliminary work on covariances, and outlines plans for the next phase of this collaboration.« less

Comparisons of Mixed-Phase Icing Cloud Simulations with Experiments Conducted at the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Bartkus, Tadas P.; Struk, Peter M.; Tsao, Jen-Ching

2017-01-01

This paper builds on previous work that compares numerical simulations of mixed-phase icing clouds with experimental data. The model couples the thermal interaction between ice particles and water droplets of the icing cloud with the flowing air of an icing wind tunnel for simulation of NASA Glenn Research Centers (GRC) Propulsion Systems Laboratory (PSL). Measurements were taken during the Fundamentals of Ice Crystal Icing Physics Tests at the PSL tunnel in March 2016. The tests simulated ice-crystal and mixed-phase icing that relate to ice accretions within turbofan engines. Experimentally measured air temperature, humidity, total water content, liquid and ice water content, as well as cloud particle size, are compared with model predictions. The model showed good trend agreement with experimentally measured values, but often over-predicted aero-thermodynamic changes. This discrepancy is likely attributed to radial variations that this one-dimensional model does not address. One of the key findings of this work is that greater aero-thermodynamic changes occur when humidity conditions are low. In addition a range of mixed-phase clouds can be achieved by varying only the tunnel humidity conditions, but the range of humidities to generate a mixed-phase cloud becomes smaller when clouds are composed of smaller particles. In general, the model predicted melt fraction well, in particular with clouds composed of larger particle sizes.

Active galactic nucleus feedback in an isolated elliptical galaxy: The effect of strong radiative feedback in the kinetic mode

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

Gan, Zhaoming; Yuan, Feng; Ostriker, Jeremiah P.

2014-07-10

Based on two-dimensional high-resolution hydrodynamic numerical simulation, we study the mechanical and radiative feedback effects from the central active galactic nucleus (AGN) on the cosmological evolution of an isolated elliptical galaxy. The inner boundary of the simulation domain is carefully chosen so that the fiducial Bondi radius is resolved and the accretion rate of the black hole is determined self-consistently. It is well known that when the accretion rates are high and low, the central AGNs will be in cold and hot accretion modes, which correspond to the radiative and kinetic feedback modes, respectively. The emitted spectrum from the hotmore » accretion flows is harder than that from the cold accretion flows, which could result in a higher Compton temperature accompanied by a more efficient radiative heating, according to previous theoretical works. Such a difference of the Compton temperature between the two feedback modes, the focus of this study, has been neglected in previous works. Significant differences in the kinetic feedback mode are found as a result of the stronger Compton heating. More importantly, if we constrain models to correctly predict black hole growth and AGN duty cycle after cosmological evolution, we find that the favored model parameters are constrained: mechanical feedback efficiency diminishes with decreasing luminosity (the maximum efficiency being ≅ 10{sup –3.5}), and X-ray Compton temperature increases with decreasing luminosity, although models with fixed mechanical efficiency and Compton temperature can be found that are satisfactory as well. We conclude that radiative feedback in the kinetic mode is much more important than previously thought.« less

Airborne asbestos take-home exposures during handling of chrysotile-contaminated clothing following simulated full shift workplace exposures.

PubMed

Sahmel, Jennifer; Barlow, Christy A; Gaffney, Shannon; Avens, Heather J; Madl, Amy K; Henshaw, John; Unice, Ken; Galbraith, David; DeRose, Gretchen; Lee, Richard J; Van Orden, Drew; Sanchez, Matthew; Zock, Matthew; Paustenbach, Dennis J

2016-01-01

The potential for para-occupational, domestic, or take-home exposures from asbestos-contaminated work clothing has been acknowledged for decades, but historically has not been quantitatively well characterized. A simulation study was performed to measure airborne chrysotile concentrations associated with laundering of contaminated clothing worn during a full shift work day. Work clothing fitted onto mannequins was exposed for 6.5 h to an airborne concentration of 11.4 f/cc (PCME) of chrysotile asbestos, and was subsequently handled and shaken. Mean 5-min and 15-min concentrations during active clothes handling and shake-out were 3.2 f/cc and 2.9 f/cc, respectively (PCME). Mean airborne PCME concentrations decreased by 55% 15 min after clothes handling ceased, and by 85% after 30 min. PCM concentrations during clothes handling were 11-47% greater than PCME concentrations. Consistent with previously published data, daily mean 8-h TWA airborne concentrations for clothes-handling activity were approximately 1.0% of workplace concentrations. Similarly, weekly 40-h TWAs for clothes handling were approximately 0.20% of workplace concentrations. Estimated take-home cumulative exposure estimates for weekly clothes handling over 25-year working durations were below 1 f/cc-year for handling work clothes contaminated in an occupational environment with full shift airborne chrysotile concentrations of up to 9 f/cc (8-h TWA).

Rayleigh instability at small length scales.

PubMed

Gopan, Nandu; Sathian, Sarith P

2014-09-01

The Rayleigh instability (also called the Plateau-Rayleigh instability) of a nanosized liquid propane thread is investigated using molecular dynamics (MD). The validity of classical predictions at small length scales is verified by comparing the temporal evolution of liquid thread simulated by MD against classical predictions. Previous works have shown that thermal fluctuations become dominant at small length scales. The role and influence of the stochastic nature of thermal fluctuations in determining the instability at small length scale is also investigated. Thermal fluctuations are seen to dominate and accelerate the breakup process only during the last stages of breakup. The simulations also reveal that the breakup profile of nanoscale threads undergo modification due to reorganization of molecules by the evaporation-condensation process.

A modelling approach to vaccination and contraception programmes for rabies control in fox populations.

PubMed Central

Suppo, C; Naulin, J M; Langlais, M; Artois, M

2000-01-01

In a previous study, three of the authors designed a one-dimensional model to simulate the propagation of rabies within a growing fox population; the influence of various parameters on the epidemic model was studied, including oral-vaccination programmes. In this work, a two-dimensional model of a fox population having either an exponential or a logistic growth pattern was considered. Using numerical simulations, the efficiencies of two prophylactic methods (fox contraception and vaccination against rabies) were assessed, used either separately or jointly. It was concluded that far lower rates of administration are necessary to eradicate rabies, and that the undesirable side-effects of each programme disappear, when both are used together. PMID:11007334

Simulation technology - A key to effective man-machine integration for future combat rotorcraft systems

NASA Technical Reports Server (NTRS)

Kerr, Andrew W.

1990-01-01

The utilization of advanced simulation technology in the development of the non-real-time MANPRINT design tools in the Army/NASA Aircrew-Aircraft Integration (A3I) program is described. A description is then given of the Crew Station Research and Development Facilities, the primary tool for the application of MANPRINT principles. The purpose of the A3I program is to develop a rational, predictive methodology for helicopter cockpit system design that integrates human factors engineering with other principles at an early stage in the development process, avoiding the high cost of previous system design methods. Enabling technologies such as the MIDAS work station are examined, and the potential of low-cost parallel-processing systems is indicated.

Hormone Purification by Isoelectric Focusing

NASA Technical Reports Server (NTRS)

Bier, M.

1985-01-01

Various ground-based research approaches are being applied to a more definitive evaluation of the natures and degrees of electroosmosis effects on the separation capabilities of the Isoelectric Focusing (IEF) process. A primary instrumental system for this work involves rotationally stabilized, horizontal electrophoretic columns specially adapted for the IEF process. Representative adaptations include segmentation, baffles/screens, and surface coatings. Comparative performance and development testing are pursued against the type of column or cell established as an engineering model. Previously developed computer simulation capabilities are used to predict low-gravity behavior patterns and performance for IEF apparatus geometries of direct project interest. Three existing mathematical models plus potential new routines for particular aspects of simulating instrument fluid patterns with varied wall electroosmosis influences are being exercised.

Finite Element Analysis of Poroelastic Composites Undergoing Thermal and Gas Diffusion

NASA Technical Reports Server (NTRS)

Salamon, N. J. (Principal Investigator); Sullivan, Roy M.; Lee, Sunpyo

1995-01-01

A theory for time-dependent thermal and gas diffusion in mechanically time-rate-independent anisotropic poroelastic composites has been developed. This theory advances previous work by the latter two authors by providing for critical transverse shear through a three-dimensional axisymmetric formulation and using it in a new hypothesis for determining the Biot fluid pressure-solid stress coupling factor. The derived governing equations couple material deformation with temperature and internal pore pressure and more strongly couple gas diffusion and heat transfer than the previous theory. Hence the theory accounts for the interactions between conductive heat transfer in the porous body and convective heat carried by the mass flux through the pores. The Bubnov Galerkin finite element method is applied to the governing equations to transform them into a semidiscrete finite element system. A numerical procedure is developed to solve the coupled equations in the space and time domains. The method is used to simulate two high temperature tests involving thermal-chemical decomposition of carbon-phenolic composites. In comparison with measured data, the results are accurate. Moreover unlike previous work, for a single set of poroelastic parameters, they are consistent with two measurements in a restrained thermal growth test.

Uplink transmit beamforming design for SINR maximization with full multiuser channel state information

NASA Astrophysics Data System (ADS)

Xi, Songnan; Zoltowski, Michael D.

2008-04-01

Multiuser multiple-input multiple-output (MIMO) systems are considered in this paper. We continue our research on uplink transmit beamforming design for multiple users under the assumption that the full multiuser channel state information, which is the collection of the channel state information between each of the users and the base station, is known not only to the receiver but also to all the transmitters. We propose an algorithm for designing optimal beamforming weights in terms of maximizing the signal-to-interference-plus-noise ratio (SINR). Through statistical modeling, we decouple the original mathematically intractable optimization problem and achieved a closed-form solution. As in our previous work, the minimum mean-squared error (MMSE) receiver with successive interference cancellation (SIC) is adopted for multiuser detection. The proposed scheme is compared with an existing jointly optimized transceiver design, referred to as the joint transceiver in this paper, and our previously proposed eigen-beamforming algorithm. Simulation results demonstrate that our algorithm, with much less computational burden, accomplishes almost the same performance as the joint transceiver for spatially independent MIMO channel and even better performance for spatially correlated MIMO channels. And it always works better than our previously proposed eigen beamforming algorithm.

Modeling Spectral Turnovers in Interplanetary Shocks Observed by ULYSSES

NASA Astrophysics Data System (ADS)

Summerlin, E. J.; Baring, M. G.

2009-12-01

Interplanetary shocks in the heliosphere provide excellent test cases for the simulation and theory of particle acceleration at shocks thanks to the presence of in-situ measurements and a relatively well understood initial particle distribution. The Monte-Carlo test particle simulation employed in this work has been previously used to study injection and acceleration from thermal energies into the high energy power-law tail at co-rotating interaction regions (CIRs) in the heliosphere presuming a steady state planar shock (Summerlin & Baring, 2006, Baring and Summerlin, 2008). These simulated power-spectra compare favorably with in-situ measurements from the ULYSSES spacecraft below 60 keV. However, to effectively model the high energy exponential cutoff at energies above 60 keV observed in these distributions, simulations must apply spatial or temporal constraints to the acceleration process. This work studies the effects of a variety of temporal and spatial co! nstraints (including spatial constraints on the turbulent region around the shock as determined by magnetometer data, spatial constraints related to the scale size of the shock and constraints on the acceleration time based on the known limits for the shock's lifetime) on the high energy cut-off and compares simulated particle spectra to those observed by the ULYSSES HI-SCALE instrument in an effort to determine which constraint is creating the cut-off and using that constraining parameter to determine additional information about the shock that can not, normally, be determined by a single data point, such as the spatial extent of the shock or how long the shock has been propagating through the heliosphere before it encounters the spacecraft. Shocks observed by multiple spacecraft will be of particular interest as their parameters will be better constrained than shocks observed by only one spacecraft. To achieve these goals, the simulation will be modified to include the re! trodictive approach of Jones (1978) to accurately track time spent dow nstream while maintaining, to large degree, the large dynamic range and short run times that make this type of simulation so attractive. This work is inspired by examinations of acceleration cutoffs in SEP events performed by various authors (see Li et al., 2009, and references therein), and it is hoped that this work will pave the way for a multi-species analysis similar to theirs that should greatly enhance the information one can derive about shocks based on individual observations.

Exploring the climate of Proxima B with the Met Office Unified Model

NASA Astrophysics Data System (ADS)

Boutle, Ian A.; Mayne, Nathan J.; Drummond, Benjamin; Manners, James; Goyal, Jayesh; Hugo Lambert, F.; Acreman, David M.; Earnshaw, Paul D.

2017-05-01

We present results of simulations of the climate of the newly discovered planet Proxima Centauri B, performed using the Met Office Unified Model (UM). We examine the responses of both an "Earth-like" atmosphere and simplified nitrogen and trace carbon dioxide atmosphere to the radiation likely received by Proxima Centauri B. Additionally, we explore the effects of orbital eccentricity on the planetary conditions using a range of eccentricities guided by the observational constraints. Overall, our results are in agreement with previous studies in suggesting Proxima Centauri B may well have surface temperatures conducive to the presence of liquid water. Moreover, we have expanded the parameter regime over which the planet may support liquid water to higher values of eccentricity (≳0.1) and lower incident fluxes (881.7 W m-2) than previous work. This increased parameter space arises because of the low sensitivity of the planet to changes in stellar flux, a consequence of the stellar spectrum and orbital configuration. However, we also find interesting differences from previous simulations, such as cooler mean surface temperatures for the tidally-locked case. Finally, we have produced high-resolution planetary emission and reflectance spectra, and highlight signatures of gases vital to the evolution of complex life on Earth (oxygen, ozone and carbon dioxide).

New graduate RN work satisfaction after completing an interactive nurse residency.

PubMed

Anderson, Teresa; Linden, Lois; Allen, Marsha; Gibbs, Elizabeth

2009-04-01

The aims of this study were to measure job satisfaction and engagement perceptions of new nurses after completing interactive residency modules and to test the reliability and validity of the Halfer-Graf Job/Work Environment Nursing Satisfaction Survey. US nursing shortages are estimated to increase to 36% by 2020, requiring emphasis on hiring new graduate nurses. Improved retention of new graduates through innovative orientations such as interactive nurse residencies is one option. This mixed qualitative and quantitative study compared perceived job satisfaction and employee engagement of 90 new graduate nurses completing an interactive nurse residency. Reliability and validity of the Halfer-Graf tool were supported. Qualitative analysis yielded trends related to satisfiers (patients, patient outcomes, and teamwork) and dissatisfiers (staffing/scheduling, lack of teamwork, and physician disrespect). Simulation scenarios, debriefing, and e-mail communication with peers ranked high as beneficial teaching strategies. Study findings support previous research. An interactive learning environment was perceived as beneficial. First and second year nurse retention was consistent with previous residency programming.

Effect of image scaling and segmentation in digital rock characterisation

NASA Astrophysics Data System (ADS)

Jones, B. D.; Feng, Y. T.

2016-04-01

Digital material characterisation from microstructural geometry is an emerging field in computer simulation. For permeability characterisation, a variety of studies exist where the lattice Boltzmann method (LBM) has been used in conjunction with computed tomography (CT) imaging to simulate fluid flow through microscopic rock pores. While these previous works show that the technique is applicable, the use of binary image segmentation and the bounceback boundary condition results in a loss of grain surface definition when the modelled geometry is compared to the original CT image. We apply the immersed moving boundary (IMB) condition of Noble and Torczynski as a partial bounceback boundary condition which may be used to better represent the geometric definition provided by a CT image. The IMB condition is validated against published work on idealised porous geometries in both 2D and 3D. Following this, greyscale image segmentation is applied to a CT image of Diemelstadt sandstone. By varying the mapping of CT voxel densities to lattice sites, it is shown that binary image segmentation may underestimate the true permeability of the sample. A CUDA-C-based code, LBM-C, was developed specifically for this work and leverages GPU hardware in order to carry out computations.

Argonne Bubble Experiment Thermal Model Development III

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

Buechler, Cynthia Eileen

This report describes the continuation of the work reported in “Argonne Bubble Experiment Thermal Model Development” and “Argonne Bubble Experiment Thermal Model Development II”. The experiment was performed at Argonne National Laboratory (ANL) in 2014. A rastered 35 MeV electron beam deposited power in a solution of uranyl sulfate, generating heat and radiolytic gas bubbles. Irradiations were performed at beam power levels between 6 and 15 kW. Solution temperatures were measured by thermocouples, and gas bubble behavior was recorded. The previous report2 described the Monte-Carlo N-Particle (MCNP) calculations and Computational Fluid Dynamics (CFD) analysis performed on the as-built solution vesselmore » geometry. The CFD simulations in the current analysis were performed using Ansys Fluent, Ver. 17.2. The same power profiles determined from MCNP calculations in earlier work were used for the 12 and 15 kW simulations. The primary goal of the current work is to calculate the temperature profiles for the 12 and 15 kW cases using reasonable estimates for the gas generation rate, based on images of the bubbles recorded during the irradiations. Temperature profiles resulting from the CFD calculations are compared to experimental measurements.« less

Design, Modeling, Fabrication, and Evaluation of the Air Amplifier for Improved Detection of Biomolecules by Electrospray Ionization Mass Spectrometry

PubMed Central

Robichaud, Guillaume; Dixon, R. Brent; Potturi, Amarnatha S.; Cassidy, Dan; Edwards, Jack R.; Sohn, Alex; Dow, Thomas A.; Muddiman, David C.

2010-01-01

Through a multi-disciplinary approach, the air amplifier is being evolved as a highly engineered device to improve detection limits of biomolecules when using electrospray ionization. Several key aspects have driven the modifications to the device through experimentation and simulations. We have developed a computer simulation that accurately portrays actual conditions and the results from these simulations are corroborated by the experimental data. These computer simulations can be used to predict outcomes from future designs resulting in a design process that is efficient in terms of financial cost and time. We have fabricated a new device with annular gap control over a range of 50 to 70 μm using piezoelectric actuators. This has enabled us to obtain better aerodynamic performance when compared to the previous design (2× more vacuum) and also more reproducible results. This is allowing us to study a broader experimental space than the previous design which is critical in guiding future directions. This work also presents and explains the principles behind a fractional factorial design of experiments methodology for testing a large number of experimental parameters in an orderly and efficient manner to understand and optimize the critical parameters that lead to obtain improved detection limits while minimizing the number of experiments performed. Preliminary results showed that several folds of improvements could be obtained for certain condition of operations (up to 34 folds). PMID:21499524

A WRF-Chem Analysis of Flash Rates, Lightning-NOx Production and Subsequent Trace Gas Chemistry of the 29-30 May 2012 Convective Event in Oklahoma During DC3

NASA Technical Reports Server (NTRS)

Cummings, Kristin A.; Pickering, Kenneth; Barth, Mary; Weinheimer, A.; Bela, M.; Li, Y; Allen, D.; Bruning, E.; MacGorman, D.; Rutledge, S.;

3D printing meets computational astrophysics: deciphering the structure of η Carinae's inner colliding winds

NASA Astrophysics Data System (ADS)

Madura, T. I.; Clementel, N.; Gull, T. R.; Kruip, C. J. H.; Paardekooper, J.-P.

2015-06-01

We present the first 3D prints of output from a supercomputer simulation of a complex astrophysical system, the colliding stellar winds in the massive (≳120 M⊙), highly eccentric (e ˜ 0.9) binary star system η Carinae. We demonstrate the methodology used to incorporate 3D interactive figures into a PDF (Portable Document Format) journal publication and the benefits of using 3D visualization and 3D printing as tools to analyse data from multidimensional numerical simulations. Using a consumer-grade 3D printer (MakerBot Replicator 2X), we successfully printed 3D smoothed particle hydrodynamics simulations of η Carinae's inner (r ˜ 110 au) wind-wind collision interface at multiple orbital phases. The 3D prints and visualizations reveal important, previously unknown `finger-like' structures at orbital phases shortly after periastron (φ ˜ 1.045) that protrude radially outwards from the spiral wind-wind collision region. We speculate that these fingers are related to instabilities (e.g. thin-shell, Rayleigh-Taylor) that arise at the interface between the radiatively cooled layer of dense post-shock primary-star wind and the fast (3000 km s-1), adiabatic post-shock companion-star wind. The success of our work and easy identification of previously unrecognized physical features highlight the important role 3D printing and interactive graphics can play in the visualization and understanding of complex 3D time-dependent numerical simulations of astrophysical phenomena.

Prediction of helicopter simulator sickness

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

Horn, R.D.; Birdwell, J.D.; Allgood, G.O.

1990-01-01

Machine learning methods from artificial intelligence are used to identify information in sampled accelerometer signals and associative behavioral patterns which correlates pilot simulator sickness with helicopter simulator dynamics. These simulators are used to train pilots in fundamental procedures, tactics, and response to emergency conditions. Simulator sickness induced by these systems represents a risk factor to both the pilot and manufacturer. Simulator sickness symptoms are closely aligned with those of motion sickness. Previous studies have been performed by behavioral psychologists using information gathered with surveys and motor skills performance measures; however, the results are constrained by the limited information which ismore » accessible in this manner. In this work, accelerometers were installed in the simulator cab, enabling a complete record of flight dynamics and the pilot's control response as a function of time. Given the results of performance measures administered to detect simulator sickness symptoms, the problem was then to find functions of the recorded data which could be used to help predict the simulator sickness level and susceptibility. Methods based upon inductive inference were used, which yield decision trees whose leaves indicate the degree of simulator-induced sickness. The long-term goal is to develop a gauge'' which can provide an on-line prediction of simulator sickness level, given a pilot's associative behavioral patterns (learned expectations). This will allow informed decisions to be made on when to terminate a hop and provide an effective basis for determining training and flight restrictions placed upon the pilot after simulator use. 6 refs., 6 figs.« less

Properties of a memory network in psychology

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

Wedemann, Roseli S.; Donangelo, Raul; Carvalho, Luis A. V. de

We have previously described neurotic psychopathology and psychoanalytic working-through by an associative memory mechanism, based on a neural network model, where memory was modelled by a Boltzmann machine (BM). Since brain neural topology is selectively structured, we simulated known microscopic mechanisms that control synaptic properties, showing that the network self-organizes to a hierarchical, clustered structure. Here, we show some statistical mechanical properties of the complex networks which result from this self-organization. They indicate that a generalization of the BM may be necessary to model memory.

On the relevance of Gibson's affordance concept for geographical information science (GISc).

PubMed

Jonietz, David; Timpf, Sabine

2015-09-01

J. J. Gibson's concept of affordances has provided a theoretical basis for various studies in geographical information science (GISc). This paper sets out to explain its popularity from a GISc perspective. Based on a short review of previous work, it will be argued that its main contributions to GISc are twofold, including an action-centered view of spatial entities and the notion of agent-environment mutuality. Using the practical example of pedestrian behavior simulation, new potentials for using and extending affordances are discussed.

BPERM version 3.0: A 2-D wakepotential/impedance code

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

Barts, T.; Chou, W.

1996-10-01

BPERM 3.0 is an improved version of a previous release. The main purpose of this version is to make it more user friendly. Following a simple 1-2-3 procedure, one obtains both text and graphical output of the wakepotential and impedance for a given geometry. The calculation is based on a boundary perturbation method, which is significantly faster than numerical simulations. It is accurate when the discontinuities are small. In particular, it works well for tapered structures. 5 refs., 3 figs.

Properties of a memory network in psychology

NASA Astrophysics Data System (ADS)

Wedemann, Roseli S.; Donangelo, Raul; de Carvalho, Luís A. V.

2007-12-01

We have previously described neurotic psychopathology and psychoanalytic working-through by an associative memory mechanism, based on a neural network model, where memory was modelled by a Boltzmann machine (BM). Since brain neural topology is selectively structured, we simulated known microscopic mechanisms that control synaptic properties, showing that the network self-organizes to a hierarchical, clustered structure. Here, we show some statistical mechanical properties of the complex networks which result from this self-organization. They indicate that a generalization of the BM may be necessary to model memory.

Methods for Reachability-based Hybrid Controller Design

DTIC Science & Technology

2012-05-10

approaches for airport runways ( Teo and Tomlin, 2003). The results of the reachability calculations were validated in extensive simulations as well as...UAV flight experiments (Jang and Tomlin, 2005; Teo , 2005). While the focus of these previous applications lies largely in safety verification, the work...B([15, 0],a0)× [−π,π])\\ V,∀qi ∈ Q, where a0 = 30m is the protected radius (chosen based upon published data of the wingspan of a Boeing KC -135

Postprandial metabolic profiles following meals and snacks eaten during simulated night and day shift work.

PubMed

Al-Naimi, S; Hampton, S M; Richard, P; Tzung, C; Morgan, L M

2004-01-01

Shift workers are known to have an increased risk of developing cardiovascular disease (CVD) compared with day workers. An important factor contributing to this increased risk could be the increased incidence of postprandial metabolic risk factors for CVD among shift workers, as a consequence of the maladaptation of endogenous circadian rhythms to abrupt changes in shift times. We have previously shown that both simulated and real shift workers showed relatively impaired glucose and lipid tolerance if a single test meal was consumed between 00:00-02:00 h (night shift) compared with 12:00-14:00 h (day shift). The objective of the present study was to extend these observations to compare the cumulative metabolic effect of consecutive snacks/meals, as might normally be consumed throughout a period of night or day shift work. In a randomized crossover study, eight healthy nonobese men (20-33 yrs, BMI 20-25kg/m2) consumed a combination of two meals and a snack on two occasions following a standardized prestudy meal, simulating night and day shift working (total energy 2500 kcal: 40% fat, 50% carbohydrate, 10% protein). Meals were consumed at 01:00/ 13:00 h and 07:00/19:00h, and the snack at 04:00/16:00 h. Blood was taken after an overnight fast, and for 8 h following the first meal on each occasion, for the measurement of glucose, insulin, triacylglycerol (TAG), and nonesterified fatty acids (NEFA). RM-ANOVA (factors time and shift) showed a significant effect of shift for plasma TAG, with higher levels on simulated night compared to day shift (p < 0.05). There was a trend toward an effect of shift for plasma glucose, with higher plasma glucose at night (p = 0.08), and there was a time-shift interaction for plasma insulin levels (p < 0.01). NEFA levels were unaffected by shift. Inspection of the area under the plasma response curve (AUC) following each meal and snack revealed that the differences in lipid tolerance occurred throughout the study, with greatest differences occurring following the mid-shift snack. In contrast, glucose tolerance was relatively impaired following the first night-time meal, with no differences observed following the second meal. Plasma insulin levels were significantly lower following the first meal (p < 0.05), but significantly higher following the second meal (p < 0.01) on the simulated night shift. These findings confirm our previous observations of raised postprandial TAG and glucose at night, and show that sequential meal ingestion has a more pronounced effect on subsequent lipid than carbohydrate tolerance.

Evaluation of impairment of the upper extremity.

PubMed

Blair, S J; McCormick, E; Bear-Lehman, J; Fess, E E; Rader, E

1987-08-01

Evaluation of impairment of the upper extremity is the product of a team effort by the physician, occupational therapist, physical therapist, and rehabilitation counselor. A careful recording of the anatomic impairment should be made because this is critical in determining the subsequent functional activities of the extremity. The measurement criteria for clinical and functional evaluation includes condition assessment instruments. Some assess the neurovascular system, others assess movements including the monitoring of articular motion and musculotendinous function. Sensibility assessment instruments measure sympathetic response and detect single joint stimulus, discrimination, quantification, and recognition abilities. A detailed description of each assessment is recorded and physical capacity evaluation is only one component of the entire vocational evaluation. This evaluation answers questions regarding the injured worker's ability to return to his previous job. The work simulator is a useful instrument that allows rehabilitation and testing of the injured upper extremity. Job site evaluation includes assessment criteria for work performance, work behavior, and work environment.

The modeling and simulation of visuospatial working memory

PubMed Central

Liang, Lina; Zhang, Zhikang

2010-01-01

Camperi and Wang (Comput Neurosci 5:383–405, 1998) presented a network model for working memory that combines intrinsic cellular bistability with the recurrent network architecture of the neocortex. While Fall and Rinzel (Comput Neurosci 20:97–107, 2006) replaced this intrinsic bistability with a biological mechanism-Ca2+ release subsystem. In this study, we aim to further expand the above work. We integrate the traditional firing-rate network with Ca2+ subsystem-induced bistability, amend the synaptic weights and suggest that Ca2+ concentration only increase the efficacy of synaptic input but has nothing to do with the external input for the transient cue. We found that our network model maintained the persistent activity in response to a brief transient stimulus like that of the previous two models and the working memory performance was resistant to noise and distraction stimulus if Ca2+ subsystem was tuned to be bistable. PMID:22132045

Working parameters affecting earth-air heat exchanger (EAHE) system performance for passive cooling: A review

NASA Astrophysics Data System (ADS)

Darius, D.; Misaran, M. S.; Rahman, Md. M.; Ismail, M. A.; Amaludin, A.

2017-07-01

The study on the effect of the working parameters such as pipe material, pipe length, pipe diameter, depth of burial of the pipe, air flow rate and different types of soils on the thermal performance of earth-air heat exchanger (EAHE) systems is very crucial to ensure that thermal comfort can be achieved. In the past decade, researchers have performed studies to develop numerical models for analysis of EAHE systems. Until recently, two-dimensional models replaced the numerical models in the 1990s and in recent times, more advanced analysis using three-dimensional models, specifically the Computational Fluid Dynamics (CFD) simulation in the analysis of EAHE system. This paper reviews previous models used to analyse the EAHE system and working parameters that affects the earth-air heat exchanger (EAHE) thermal performance as of February 2017. Recent findings on the parameters affecting EAHE performance are also presented and discussed. As a conclusion, with the advent of CFD methods, investigational work have geared up to modelling and simulation work as it saves time and cost. Comprehension of the EAHE working parameters and its effect on system performance is largely established. However, the study on type of soil and its characteristics on the performance of EAHEs systems are surprisingly barren. Therefore, future studies should focus on the effect of soil characteristics such as moisture content, density of soil, and type of soil on the thermal performance of EAHEs system.

Monte Carlo reference data sets for imaging research: Executive summary of the report of AAPM Research Committee Task Group 195.

PubMed

Sechopoulos, Ioannis; Ali, Elsayed S M; Badal, Andreu; Badano, Aldo; Boone, John M; Kyprianou, Iacovos S; Mainegra-Hing, Ernesto; McMillan, Kyle L; McNitt-Gray, Michael F; Rogers, D W O; Samei, Ehsan; Turner, Adam C

2015-10-01

The use of Monte Carlo simulations in diagnostic medical imaging research is widespread due to its flexibility and ability to estimate quantities that are challenging to measure empirically. However, any new Monte Carlo simulation code needs to be validated before it can be used reliably. The type and degree of validation required depends on the goals of the research project, but, typically, such validation involves either comparison of simulation results to physical measurements or to previously published results obtained with established Monte Carlo codes. The former is complicated due to nuances of experimental conditions and uncertainty, while the latter is challenging due to typical graphical presentation and lack of simulation details in previous publications. In addition, entering the field of Monte Carlo simulations in general involves a steep learning curve. It is not a simple task to learn how to program and interpret a Monte Carlo simulation, even when using one of the publicly available code packages. This Task Group report provides a common reference for benchmarking Monte Carlo simulations across a range of Monte Carlo codes and simulation scenarios. In the report, all simulation conditions are provided for six different Monte Carlo simulation cases that involve common x-ray based imaging research areas. The results obtained for the six cases using four publicly available Monte Carlo software packages are included in tabular form. In addition to a full description of all simulation conditions and results, a discussion and comparison of results among the Monte Carlo packages and the lessons learned during the compilation of these results are included. This abridged version of the report includes only an introductory description of the six cases and a brief example of the results of one of the cases. This work provides an investigator the necessary information to benchmark his/her Monte Carlo simulation software against the reference cases included here before performing his/her own novel research. In addition, an investigator entering the field of Monte Carlo simulations can use these descriptions and results as a self-teaching tool to ensure that he/she is able to perform a specific simulation correctly. Finally, educators can assign these cases as learning projects as part of course objectives or training programs.

An experimental study of nonlinear dynamic system identification

NASA Technical Reports Server (NTRS)

Stry, Greselda I.; Mook, D. Joseph

1990-01-01

A technique for robust identification of nonlinear dynamic systems is developed and illustrated using both simulations and analog experiments. The technique is based on the Minimum Model Error optimal estimation approach. A detailed literature review is included in which fundamental differences between the current approach and previous work is described. The most significant feature of the current work is the ability to identify nonlinear dynamic systems without prior assumptions regarding the form of the nonlinearities, in constrast to existing nonlinear identification approaches which usually require detailed assumptions of the nonlinearities. The example illustrations indicate that the method is robust with respect to prior ignorance of the model, and with respect to measurement noise, measurement frequency, and measurement record length.

Limit cycles in piecewise-affine gene network models with multiple interaction loops

NASA Astrophysics Data System (ADS)

Farcot, Etienne; Gouzé, Jean-Luc

2010-01-01

In this article, we consider piecewise affine differential equations modelling gene networks. We work with arbitrary decay rates, and under a local hypothesis expressed as an alignment condition of successive focal points. The interaction graph of the system may be rather complex (multiple intricate loops of any sign, multiple thresholds, etc.). Our main result is an alternative theorem showing that if a sequence of region is periodically visited by trajectories, then under our hypotheses, there exists either a unique stable periodic solution, or the origin attracts all trajectories in this sequence of regions. This result extends greatly our previous work on a single negative feedback loop. We give several examples and simulations illustrating different cases.

Microwave focusing with uniaxially symmetric gradient index metamaterials

NASA Astrophysics Data System (ADS)

Wheeland, Sara; Sternberg, Oren; Perez, Israel; Rockway, John D.

2016-09-01

Previous efforts to create a metamaterial lens in the microwave X band frequency range focused on the development of a device with biaxial symmetry. This allows for focusing solely along the central axis of propagation. For applications involving wave direction or energy diversion, focusing may be required off the central axis. This work explores a metamaterial device with uniaxial symmetry, namely in the direction of propagation. Ray-trace optimization and full-wave finite element simulations contribute to the design of the lens. By changing the placement of the focus, we achieve further control of the focus parameters. While the present work uses coils, the unit cell can consist of any structure or material.

Validity of the paraxial approximation for electron acceleration with radially polarized laser beams.

PubMed

Marceau, Vincent; Varin, Charles; Piché, Michel

2013-03-15

In the study of laser-driven electron acceleration, it has become customary to work within the framework of paraxial wave optics. Using an exact solution to the Helmholtz equation as well as its paraxial counterpart, we perform numerical simulations of electron acceleration with a high-power TM(01) beam. For beam waist sizes at which the paraxial approximation was previously recognized valid, we highlight significant differences in the angular divergence and energy distribution of the electron bunches produced by the exact and the paraxial solutions. Our results demonstrate that extra care has to be taken when working under the paraxial approximation in the context of electron acceleration with radially polarized laser beams.

Wake Vortex Advisory System (WakeVAS) Evaluation of Impacts on the National Airspace System

NASA Technical Reports Server (NTRS)

Smith, Jeremy C.; Dollyhigh, Samuel M.

2005-01-01

This report is one of a series that describes an ongoing effort in high-fidelity modeling/simulation, evaluation and analysis of the benefits and performance metrics of the Wake Vortex Advisory System (WakeVAS) Concept of Operations being developed as part of the Virtual Airspace Modeling and Simulation (VAMS) project. A previous study, determined the overall increases in runway arrival rates that could be achieved at 12 selected airports due to WakeVAS reduced aircraft spacing under Instrument Meteorological Conditions. This study builds on the previous work to evaluate the NAS wide impacts of equipping various numbers of airports with WakeVAS. A queuing network model of the National Airspace System, built by the Logistics Management Institute, Mclean, VA, for NASA (LMINET) was used to estimate the reduction in delay that could be achieved by using WakeVAS under non-visual meteorological conditions for the projected air traffic demand in 2010. The results from LMINET were used to estimate the total annual delay reduction that could be achieved and from this, an estimate of the air carrier variable operating cost saving was made.

Turbulence Modulation and Particle Segregation in a Turbulent Channel Flow

NASA Astrophysics Data System (ADS)

Fong, Kee Onn; Toloui, Mostafa; Amili, Omid; Hong, Jiarong; Coletti, Filippo

2016-11-01

Particle-laden flows are ubiquitous in biological, environmental, and engineering flows, but our understanding of the mechanism by which particles modulate turbulence is incomplete. Simulations involve a wide range of scales, and shall be corroborated by measurements that reconstruct the motion of both the continuous and dispersed phases. We present experimental observations on the interaction between inertial particles and turbulent flow through a vertical channel in two-way coupled regime. The working fluid is air laden with size-selected glass particles, which we investigate by planar particle image velocimetry and digital inline holography. Unlike most previous experiments, we focus on a regime in which particle segregation and turbulence modulation are both strong. PIV shows that turbulence modulation is especially pronounced near the wall, where particles accumulate by turbophoresis. The segregation, however, is much weaker than what suggested by one-way coupled simulations. Results from digital holography confirm the trends in particle concentration and velocities, and additionally provide information on the three-dimensional clustering. The findings are compared to previous investigations and discussed in the context of modeling strategies.

Evolving a Neural Olfactorimotor System in Virtual and Real Olfactory Environments

PubMed Central

Rhodes, Paul A.; Anderson, Todd O.

2012-01-01

To provide a platform to enable the study of simulated olfactory circuitry in context, we have integrated a simulated neural olfactorimotor system with a virtual world which simulates both computational fluid dynamics as well as a robotic agent capable of exploring the simulated plumes. A number of the elements which we developed for this purpose have not, to our knowledge, been previously assembled into an integrated system, including: control of a simulated agent by a neural olfactorimotor system; continuous interaction between the simulated robot and the virtual plume; the inclusion of multiple distinct odorant plumes and background odor; the systematic use of artificial evolution driven by olfactorimotor performance (e.g., time to locate a plume source) to specify parameter values; the incorporation of the realities of an imperfect physical robot using a hybrid model where a physical robot encounters a simulated plume. We close by describing ongoing work toward engineering a high dimensional, reversible, low power electronic olfactory sensor which will allow olfactorimotor neural circuitry evolved in the virtual world to control an autonomous olfactory robot in the physical world. The platform described here is intended to better test theories of olfactory circuit function, as well as provide robust odor source localization in realistic environments. PMID:23112772

Size-dependent penetrant diffusion in polymer glasses.

PubMed

Meng, Dong; Zhang, Kai; Kumar, Sanat K

2018-05-18

Molecular Dynamics simulations are used to understand the underpinning basis of the transport of gas-like solutes in deeply quenched polymeric glasses. As found in previous work, small solutes, with sizes smaller than 0.15 times the chain monomer size, move as might be expected in a medium with large pores. In contrast, the motion of larger solutes is activated and is strongly facilitated by matrix motion. In particular, solute motion is coupled to the local elastic fluctuations of the matrix as characterized by the Debye-Waller factor. While similar ideas have been previously proposed for the viscosity of supercooled liquids above their glass transition, to our knowledge, this is the first illustration of this concept in the context of solute mass transport in deeply quenched polymer glasses.

Power combination of a self-coherent high power microwave source

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

Yan, Xiaolu, E-mail: yanxl-dut@163.com; Zhang, Xiaoping; Li, Yangmei

2015-09-15

In our previous work, generating two phase-locked high power microwaves (HPMs) in a single self-coherent HPM device has been demonstrated. In this paper, after optimizing the structure of the previous self-coherent source, we design a power combiner with a folded phase-adjustment waveguide to realize power combination between its two sub-sources. Further particle-in-cell simulation of the combined source shows that when the diode voltage is 687 kV and the axial magnetic field is 0.8 T, a combined output microwave with 3.59 GW and 9.72 GHz is generated. The impedance of the combined device is 36 Ω and the total power conversion efficiency is 28%.

HINDERED DIFFUSION OF ASPHALTENES AT EVALUATED TEMPERATURE AND PRESSURE

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

JAMES A. GUIN; SURYA VADLAMANI

1998-10-03

During this time period, the PhD student working on this project, Mr. X. Yang, graduated and has obtained employment with Michelin Tire Company in their research and development laboratory. A new MS student, Mr. Surya Vadlamani, is now working on the project. The work conducted in this time period will form part of Mr. Vadlamani�s MS thesis. Also during the current time period, a no-cost extension was obtained for the project, which will allow Mr. Vadlamani to complete the research work required for the MS degree in chemical engineering. Since Mr. Vadlamani was new to the project and in ordermore » to provide appropriate training, it was necessary to conduct some experimental work in the same ranges as performed earlier by Mr. Yang in order to provide continuity and insure duplication of the experimental data. The new data obtained by Mr. Vadlamani agree well in general with the earlier data obtained by Mr. Yang and extend the earlier data to a higher temperature range. Specifically, during this time period, uptake experiments were performed at temperatures from 25 0 C to 300 o C for the adsorptive diffusion of quinoline in cyclohexane and mineral oil onto alumina catalyst pellets. These experiments were conducted in a 40 cm 3 microautoclave, as contrasted with the previous work done in the much larger 1-liter autoclave. The use of the microautoclave is more economical from both a purchasing and waste disposal standpoint due to the small quantities of solvents and catalysts utilized, and is also significantly safer at the higher temperatures. Model simulation results showed that the mathematical model incorporating diffusion and adsorption mechanisms satisfactorily fitted the adsorptive diffusion of quinoline onto the alumina catalyst in a fairly wide temperature range of 25 o C to 300 o C. The logarithm of the adsorption constant, obtained by simulating the experimental data with the model solution, was found to be linearly dependent on temperature. The data obtained using the microautoclave agreed well with the previous data obtained using the larger 1-liter autoclave.« less

Modelling the effect of soil moisture and organic matter degradation on biogenic NO emissions from soils in Sahel rangeland (Mali)

NASA Astrophysics Data System (ADS)

Delon, C.; Mougin, E.; Serça, D.; Grippa, M.; Hiernaux, P.; Diawara, M.; Galy-Lacaux, C.; Kergoat, L.

2015-06-01

This work is an attempt to provide seasonal variation of biogenic NO emission fluxes in a Sahelian rangeland in Mali (Agoufou, 15.34° N, 1.48° W) for years 2004, 2005, 2006, 2007 and 2008. Indeed, NO is one of the most important precursors for tropospheric ozone, and previous studies have shown that arid areas potentially display significant NO emissions (due to both biotic and abiotic processes). Previous campaigns in the Sahel suggest that the contribution of this region in emitting NO is no longer considered as negligible. However, very few data are available in this region, therefore this study focuses on model development. The link between NO production in the soil and NO release to the atmosphere is investigated in this modelling study, by taking into account vegetation litter production and degradation, microbial processes in the soil, emission fluxes, and environmental variables influencing these processes, using a coupled vegetation-litter decomposition-emission model. This model includes the Sahelian Transpiration Evaporation and Productivity (STEP) model for the simulation of herbaceous, tree leaf and faecal masses, the GENDEC model (GENeral DEComposition) for the simulation of the buried litter decomposition and microbial dynamics, and the NO emission model (NOFlux) for the simulation of the NO release to the atmosphere. Physical parameters (soil moisture and temperature, wind speed, sand percentage) which affect substrate diffusion and oxygen supply in the soil and influence the microbial activity, and biogeochemical parameters (pH and fertilization rate related to N content) are necessary to simulate the NO flux. The reliability of the simulated parameters is checked, in order to assess the robustness of the simulated NO flux. Simulated yearly average of NO flux ranges from 2.09 to 3.04 ng(N) m-2 s-1 (0.66 to 0.96 kg(N) ha-1 yr-1), and wet season average ranges from 3.36 to 5.48 ng(N) m-2 s-1 (1.06 to 1.73 kg(N) ha-1 yr-1). These results are of the same order as previous measurements made in several sites where the vegetation and the soil are comparable to the ones in Agoufou. This coupled vegetation-litter decomposition-emission model could be generalized at the scale of the Sahel region, and provide information where few data are available.

A Modification and Analysis of Lagrangian Trajectory Modeling and Granular Dynamics of Lunar Dust Particles

NASA Technical Reports Server (NTRS)

Long, Jason M.; Lane, John E.; Metzger, Philip T.

2008-01-01

A previously developed mathematical model is amended to more accurately incorporate the effects of lift and drag on single dust particles in order to predict their behavior in the wake of high velocity gas flow. The model utilizes output from a CFD or DSMC simulation of exhaust from a rocket nozzle hot gas jet. An extension of the Saffman equation for lift based on the research of McLaughlin (1991) and Mei (1992) is used, while an equation for the Magnus force modeled after the work of Oesterle (1994) and Tsuji et al (1985) is applied. A relationship for drag utilizing a particle shape factor (phi = 0.8) is taken from the work of Haider and Levenspiel (1989) for application to non-spherical particle dynamics. The drag equation is further adjusted to account for rarefaction and compressibility effects in rarefied and high Mach number flows according to the work of Davies (1945) and Loth (2007) respectively. Simulations using a more accurate model with the correction factor (Epsilon = 0.8 in a 20% particle concentration gas flow) given by Richardson and Zaki (1954) and Rowe (1961) show that particles have lower ejection angles than those that were previously calculated. This is more prevalent in smaller particles, which are shown through velocity and trajectory comparison to be more influenced by the flow of the surrounding gas. It is shown that particles are more affected by minor changes to drag forces than larger adjustments to lift forces, demanding a closer analysis of the shape and behavior of lunar dust particles and the composition of the surrounding gas flow.

MAGNETOHYDRODYNAMIC SIMULATION OF A DISK SUBJECTED TO LENSE-THIRRING PRECESSION

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

Sorathia, Kareem A.; Krolik, Julian H.; Hawley, John F.

2013-11-01

When matter orbits around a central mass obliquely with respect to the mass's spin axis, the Lense-Thirring effect causes it to precess at a rate declining sharply with radius. Ever since the work of Bardeen and Petterson, it has been expected that when a fluid fills an orbiting disk, the orbital angular momentum at small radii should then align with the mass's spin. Nearly all previous work has studied this alignment under the assumption that a phenomenological 'viscosity' isotropically degrades fluid shears in accretion disks, even though it is now understood that internal stress in flat disks is due tomore » anisotropic MHD turbulence. In this paper we report a pair of matched simulations, one in MHD and one in pure (non-viscous) HD in order to clarify the specific mechanisms of alignment. As in the previous work, we find that disk warps induce radial flows that mix angular momentum of different orientation; however, we also show that the speeds of these flows are generically transonic and are only very weakly influenced by internal stresses other than pressure. In particular, MHD turbulence does not act in a manner consistent with an isotropic viscosity. When MHD effects are present, the disk aligns, first at small radii and then at large; alignment is only partial in the HD case. We identify the specific angular momentum transport mechanisms causing alignment and show how MHD effects permit them to operate more efficiently. Last, we relate the speed at which an alignment front propagates outward (in the MHD case) to the rate at which Lense-Thirring torques deliver angular momentum at smaller radii.« less

Atmospheric Dispersion Modeling of the February 2014 Waste Isolation Pilot Plant Release

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

Nasstrom, John; Piggott, Tom; Simpson, Matthew

2015-07-22

This report presents the results of a simulation of the atmospheric dispersion and deposition of radioactivity released from the Waste Isolation Pilot Plant (WIPP) site in New Mexico in February 2014. These simulations were made by the National Atmospheric Release Advisory Center (NARAC) at Lawrence Livermore National Laboratory (LLNL), and supersede NARAC simulation results published in a previous WIPP report (WIPP, 2014). The results presented in this report use additional, more detailed data from WIPP on the specific radionuclides released, radioactivity release amounts and release times. Compared to the previous NARAC simulations, the new simulation results in this report aremore » based on more detailed modeling of the winds, turbulence, and particle dry deposition. In addition, the initial plume rise from the exhaust vent was considered in the new simulations, but not in the previous NARAC simulations. The new model results show some small differences compared to previous results, but do not change the conclusions in the WIPP (2014) report. Presented are the data and assumptions used in these model simulations, as well as the model-predicted dose and deposition on and near the WIPP site. A comparison of predicted and measured radionuclide-specific air concentrations is also presented.« less

Upgrade of the TITAN EBIT High Voltage Operation

NASA Astrophysics Data System (ADS)

Foster, Matt; Titan Collaboration

2016-09-01

TRIUMF's Ion Trap for Atomic and Nuclear science (TITAN) is a setup dedicated to highly precise mass measurements of short-lived isotopes down to 10ms. TITAN's Electron Beam Ion Trap (EBIT) is a charge breeder integrated into the setup to perform in-trap decay spectroscopy of highly charged ions and increase the precision of mass measurements. In its previous configuration TITAN's EBIT could not fulfil its maximum design specification due to high voltage safety restrictions, limiting its obtainable charge states. A recently completed upgrade of the high voltage operation that will allow the EBIT to fulfil its design specification and achieve higher charge states for heavier species is undergoing preliminary tests with stable beam. Simulations were performed to optimise the injection and extraction efficiency at high voltage and initial tests have involved using a Ge detector to identify x-rays produced by charge breeding stable ions. Future work comprises exploring electron capture rates of Ne-, He- and H-like charge states of 64Cu and higher masses, which were not previously accessible. The function of the EBIT within the TITAN setup, the work carried out on the upgrade thus far and its scope for future work will be presented.

Molecular dynamics study of the conformational properties of cyclohexadecane

NASA Astrophysics Data System (ADS)

Zhang, Renshi; Mattice, Wayne L.

1993-06-01

Molecular dynamics has been used for the first time for the study of the conformational properties of cyclohexadecane, c-C16H32. By analyzing a long molecular dynamics trajectory (14.5 ns) at 450 K, equilibrium statistics such as the relative populations of different isomeric conformers and the probability ratios, p(gt)/p(tt), p(gg)/p(tt), and p(gg)/p(gtg), of different conformational segments, have been studied. The dynamic properties including the transition modes of gauche migration and gauche-pair creation, which have been reported before in n-alkanes, and the auto- and cross-correlations of the bond dihedral angles, have also been obtained. It was possible to make direct comparisons on some of the statistics with theory and experiment. Most of the results extracted from the molecular dynamics trajectory lie in between previously reported experimental and theoretical values. Many previously predicted conformers have been confirmed by our simulations. The results of the population probability of the most populated conformer seems to suggest that an earlier discrepancy between the theoretical works and an experimental work originates from insufficient samplings in earlier theoretical works, rather than from their inaccurate force field.

Recent impact on (4709) Ennomos?

NASA Astrophysics Data System (ADS)

Rozehnal, Jakub; Broz, Miroslav

2017-10-01

In this work, we try to associate the albedo variations of the Trojan L5 asteroid (4709) Ennomos (Emery et al., 2016) with a relatively recent impact structure on its surface. Although the mean visual albedo of Trojans is generally very low (pV~0.07, Grav et al., 2012), especially for asteroids with diameter D > 50 km, Fernández et al. (2003) reported unusually high albedo of (4709) Ennomos (pV~0.12 to 0.18), which diameter is D ~ 80 km. However, the albedo of (4709) Ennomos determined from the WISE data by Grav et al. (2012) is only pV ~ 0.09 and the same albedo derived from AKARI is about pV ~ 0.08 (Usui et al., 2011). One possible explanation for these discrepancies is that the albedo of (4709) Ennomos is strongly dependent on its rotational phase. Emery et al. (2016) reported a clear evidence of spectral slope variations of (4709) Ennomos with its rotation, what may also suggest an existence of a bright spot on its surface, caused e.g. by impact. As we reported the asteroid family associated with (4709) Ennomos in our previous works (eg. Broz and Rozehnal, 2011, Rozehnal et al., 2016), we try to simulate the family origin by SPH simulations (Benz and Aspaugh, 1994).Because the albedo variations could be in principle used to estimate an approximate size of the impact structure (in the case of cratering event, what means MLR/MPB > 0.5) on the family parent body an hence an approximate size of the impactor, this is a uniqe chance to compare it with the results of the SPH simulations. In our work we also try to determine the age of the Ennomos family by simulating the dynamical evolution of our synthetic families in different impact geometries (with different f and ω).

Advances in dual-tone development for pitch frequency doubling

NASA Astrophysics Data System (ADS)

Fonseca, Carlos; Somervell, Mark; Scheer, Steven; Kuwahara, Yuhei; Nafus, Kathleen; Gronheid, Roel; Tarutani, Shinji; Enomoto, Yuuichiro

2010-04-01

Dual-tone development (DTD) has been previously proposed as a potential cost-effective double patterning technique1. DTD was reported as early as in the late 1990's2. The basic principle of dual-tone imaging involves processing exposed resist latent images in both positive tone (aqueous base) and negative tone (organic solvent) developers. Conceptually, DTD has attractive cost benefits since it enables pitch doubling without the need for multiple etch steps of patterned resist layers. While the concept for DTD technique is simple to understand, there are many challenges that must be overcome and understood in order to make it a manufacturing solution. Previous work by the authors demonstrated feasibility of DTD imaging for 50nm half-pitch features at 0.80NA (k1 = 0.21) and discussed challenges lying ahead for printing sub-40nm half-pitch features with DTD. While previous experimental results suggested that clever processing on the wafer track can be used to enable DTD beyond 50nm halfpitch, it also suggest that identifying suitable resist materials or chemistries is essential for achieving successful imaging results with novel resist processing methods on the wafer track. In this work, we present recent advances in the search for resist materials that work in conjunction with novel resist processing methods on the wafer track to enable DTD. Recent experimental results with new resist chemistries, specifically designed for DTD, are presented in this work. We also present simulation studies that help and support identifying resist properties that could enable DTD imaging, which ultimately lead to producing viable DTD resist materials.

Hybrid Monte Carlo/Deterministic Methods for Accelerating Active Interrogation Modeling

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

Peplow, Douglas E.; Miller, Thomas Martin; Patton, Bruce W

2013-01-01

The potential for smuggling special nuclear material (SNM) into the United States is a major concern to homeland security, so federal agencies are investigating a variety of preventive measures, including detection and interdiction of SNM during transport. One approach for SNM detection, called active interrogation, uses a radiation source, such as a beam of neutrons or photons, to scan cargo containers and detect the products of induced fissions. In realistic cargo transport scenarios, the process of inducing and detecting fissions in SNM is difficult due to the presence of various and potentially thick materials between the radiation source and themore » SNM, and the practical limitations on radiation source strength and detection capabilities. Therefore, computer simulations are being used, along with experimental measurements, in efforts to design effective active interrogation detection systems. The computer simulations mostly consist of simulating radiation transport from the source to the detector region(s). Although the Monte Carlo method is predominantly used for these simulations, difficulties persist related to calculating statistically meaningful detector responses in practical computing times, thereby limiting their usefulness for design and evaluation of practical active interrogation systems. In previous work, the benefits of hybrid methods that use the results of approximate deterministic transport calculations to accelerate high-fidelity Monte Carlo simulations have been demonstrated for source-detector type problems. In this work, the hybrid methods are applied and evaluated for three example active interrogation problems. Additionally, a new approach is presented that uses multiple goal-based importance functions depending on a particle s relevance to the ultimate goal of the simulation. Results from the examples demonstrate that the application of hybrid methods to active interrogation problems dramatically increases their calculational efficiency.« less

Computational simulations of supersonic magnetohydrodynamic flow control, power and propulsion systems

NASA Astrophysics Data System (ADS)

Wan, Tian

This work is motivated by the lack of fully coupled computational tool that solves successfully the turbulent chemically reacting Navier-Stokes equation, the electron energy conservation equation and the electric current Poisson equation. In the present work, the abovementioned equations are solved in a fully coupled manner using fully implicit parallel GMRES methods. The system of Navier-Stokes equations are solved using a GMRES method with combined Schwarz and ILU(0) preconditioners. The electron energy equation and the electric current Poisson equation are solved using a GMRES method with combined SOR and Jacobi preconditioners. The fully coupled method has also been implemented successfully in an unstructured solver, US3D, and convergence test results were presented. This new method is shown two to five times faster than the original DPLR method. The Poisson solver is validated with analytic test problems. Then, four problems are selected; two of them are computed to explore the possibility of onboard MHD control and power generation, and the other two are simulation of experiments. First, the possibility of onboard reentry shock control by a magnetic field is explored. As part of a previous project, MHD power generation onboard a re-entry vehicle is also simulated. Then, the MHD acceleration experiments conducted at NASA Ames research center are simulated. Lastly, the MHD power generation experiments known as the HVEPS project are simulated. For code validation, the scramjet experiments at University of Queensland are simulated first. The generator section of the HVEPS test facility is computed then. The main conclusion is that the computational tool is accurate for different types of problems and flow conditions, and its accuracy and efficiency are necessary when the flow complexity increases.

Waves, Plumes and Bubbles from Jupiter Comet Impacts

NASA Astrophysics Data System (ADS)

Palotai, Csaba J.; Sankar, Ramanakumar; McCabe, Tyler; Korycansky, Donald

2017-10-01

We present results from our numerical simulations of jovian comet impacts that investigate various phases of the Shoemaker-Levy 9 (SL9) and the 2009 impacts into Jupiter's atmosphere. Our work includes a linked series of observationally constrained, three-dimensional radiative-hydrodynamic simulations to model the impact, plume blowout, plume flight/splash, and wave-propagation phases of those impact events. Studying these stages using a single model is challenging because the spatial and temporal scales and the temperature range of those phases may differ by orders of magnitudes (Harrington et al. 2004). In our simulations we model subsequent phases starting with the interpolation of the results of previous simulations onto a new, larger grid that is optimized for capturing all key physics of the relevant phenomena while maintaining computational efficiency. This enables us to carry out end-to-end simulations that require no ad-hoc initial conditions. In this work, we focus on the waves generated by various phenomena during the impact event and study the temporal evolution of their position and speed. In particular, we investigate the shocks generated by the impactor during atmospheric entry, the expansion of the ejected plume and the ascent of the hot bubble of material from terminal depth. These results are compared to the observed characteristics of the expanding SL9 rings (Hammel et al. 1995). Additionally, we present results from our sensitivity tests that focus on studying the differences in the ejecta plume generation using various impactor parameters (e.g., impact angle, impactor size, material, etc.). These simulations are used to explain various phenomena related to the SL9 event and to constrain the characteristics of the unknown 2009 impactor body. This research was supported by National Science Foundation Grant AST-1627409.

Suppression of AGN-Driven Turbulence by Magnetic Fields in a Magnetohydrodynamic Model of the Intracluster Medium

NASA Astrophysics Data System (ADS)

Bambic, Christopher J.; Morsony, Brian; Reynolds, Christopher S.

2018-01-01

We investigate the role of AGN feedback in turbulent heating of galaxy clusters. Specifically, we analyze the production of turbulence by g-modes generated by the supersonic expansion and buoyant rise of AGN-driven bubbles. Previous work which neglects magnetic fields has shown that this process is inefficient, with less than 1% of the injected energy ending up in turbulence. This inefficiency is primarily due to the fact that the bubbles are shredded apart by hydrodynamic instabilities before they can excite sufficiently strong g-modes. Using a plane-parallel model of the ICM and 3D ideal MHD simulations, we examine the role of a large-scale magnetic field which is able to drape around these rising bubbles, preserving them from hydrodynamic instabilities. We find that, while magnetic draping appears better able to preserve AGN-driven bubbles, the driving of g-modes and the resulting production of turbulence is still inefficient. The magnetic tension force prevents g-modes from transitioning into the nonlinear regime, suppressing turbulence in our model ICM below levels measured in hydrodynamic simulations. Our work highlights the ways in which ideal MHD is an insufficient description for the cluster feedback process, and we discuss future work such as the inclusion of anisotropic viscosity as a means of simulating high β plasma kinetic effects. These results suggest the hypothesis that other mechanisms of heating the ICM plasma such as sound waves or cosmic rays may be responsible for observed feedback in galaxy clusters.

Rational design of a carboxylic esterase RhEst1 based on computational analysis of substrate binding

DOE PAGES

Chen, Qi; Luan, Zheng -Jiao; Yu, Hui -Lei; ...

2015-10-31

A new carboxylic esterase RhEst1 which catalyzes the hydrolysis of (S)-(+)-2,2-dimethylcyclopropanecarboxylate (S-DmCpCe), the key chiral building block of cilastatin, was identified and subsequently crystallized in our previous work. Mutant RhEst 1A147I/V148F/G254A was found to show a 5-fold increase in the catalytic activity. In this work, molecular dynamic simulations were performed to elucidate the molecular determinant of the enzyme activity. Our simulations show that the substrate binds much more strongly in the A147I/V148F/G254A mutant than in wild type, with more hydrogen bonds formed between the substrate and the catalytic triad and the oxyanion hole. The OH group of the catalytic residuemore » Ser101 in the mutant is better positioned to initiate the nucleophilic attack on S-DmCpCe. Interestingly, the "170-179" loop which is involved in shaping the catalytic sites and facilitating the product release shows remarkable dynamic differences in the two systems. Based on the simulation results, six residues were identified as potential "hot-spots" for further experimental testing. Consequently, the G126S and R133L mutants show higher catalytic efficiency as compared with the wild type. In conclusion, this work provides molecular-level insights into the substrate binding mechanism of carboxylic esterase RhEst1, facilitating future experimental efforts toward developing more efficient RhEst1 variants for industrial applications.« less

Theoretical Characterization of the Spectral Density of the Water-Soluble Chlorophyll-Binding Protein from Combined Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations.

PubMed

Rosnik, Andreana M; Curutchet, Carles

2015-12-08

Over the past decade, both experimentalists and theorists have worked to develop methods to describe pigment-protein coupling in photosynthetic light-harvesting complexes in order to understand the molecular basis of quantum coherence effects observed in photosynthesis. Here we present an improved strategy based on the combination of quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations and excited-state calculations to predict the spectral density of electronic-vibrational coupling. We study the water-soluble chlorophyll-binding protein (WSCP) reconstituted with Chl a or Chl b pigments as the system of interest and compare our work with data obtained by Pieper and co-workers from differential fluorescence line-narrowing spectra (Pieper et al. J. Phys. Chem. B 2011, 115 (14), 4042-4052). Our results demonstrate that the use of QM/MM MD simulations where the nuclear positions are still propagated at the classical level leads to a striking improvement of the predicted spectral densities in the middle- and high-frequency regions, where they nearly reach quantitative accuracy. This demonstrates that the so-called "geometry mismatch" problem related to the use of low-quality structures in QM calculations, not the quantum features of pigments high-frequency motions, causes the failure of previous studies relying on similar protocols. Thus, this work paves the way toward quantitative predictions of pigment-protein coupling and the comprehension of quantum coherence effects in photosynthesis.

On the role of numerical simulations in studies of reduced gravity-induced physiological effects in humans. Results from NELME.

NASA Astrophysics Data System (ADS)

Perez-Poch, Antoni

Computer simulations are becoming a promising research line of work, as physiological models become more and more sophisticated and reliable. Technological advances in state-of-the-art hardware technology and software allow nowadays for better and more accurate simulations of complex phenomena, such as the response of the human cardiovascular system to long-term exposure to microgravity. Experimental data for long-term missions are difficult to achieve and reproduce, therefore the predictions of computer simulations are of a major importance in this field. Our approach is based on a previous model developed and implemented in our laboratory (NELME: Numercial Evaluation of Long-term Microgravity Effects). The software simulates the behaviour of the cardiovascular system and different human organs, has a modular archi-tecture, and allows to introduce perturbations such as physical exercise or countermeasures. The implementation is based on a complex electrical-like model of this control system, using inexpensive development frameworks, and has been tested and validated with the available experimental data. The objective of this work is to analyse and simulate long-term effects and gender differences when individuals are exposed to long-term microgravity. Risk probability of a health impairement which may put in jeopardy a long-term mission is also evaluated. . Gender differences have been implemented for this specific work, as an adjustment of a number of parameters that are included in the model. Women versus men physiological differences have been therefore taken into account, based upon estimations from the physiology bibliography. A number of simulations have been carried out for long-term exposure to microgravity. Gravity varying continuosly from Earth-based to zero, and time exposure are the two main variables involved in the construction of results, including responses to patterns of physical aerobic ex-ercise and thermal stress simulating an extra-vehicular activity. Results show that significant differences appear between men and women physiological response after long-term exposure (more than three months) to microgravity. Risk evaluation for every gender, and specific risk thresholds are provided. Different scenarios like a long-term mission to Moon or Mars are evaluated, including countermeasures such as aerobic exercise. Initial results are compatible with the existing data, and provide useful insights regarding different patterns of microgravity exposure. We conclude that computer-based models such us NELME are a promising line of work to predict health risks in long-term missions.

A gas kinetic scheme for hybrid simulation of partially rarefied flows

NASA Astrophysics Data System (ADS)

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

2017-06-01

Approaches to predict flow fields that display rarefaction effects incur a cost in computational time and memory considerably higher than methods commonly employed for continuum flows. For this reason, to simulate flow fields where continuum and rarefied regimes coexist, hybrid techniques have been introduced. In the present work, analytically defined gas-kinetic schemes based on the Shakhov and Rykov models for monoatomic and diatomic gas flows, respectively, are proposed and evaluated with the aim to be used in the context of hybrid simulations. This should reduce the region where more expensive methods are needed by extending the validity of the continuum formulation. Moreover, since for high-speed rare¦ed gas flows it is necessary to take into account the nonequilibrium among the internal degrees of freedom, the extension of the approach to employ diatomic gas models including rotational relaxation process is a mandatory first step towards realistic simulations. Compared to previous works of Xu and coworkers, the presented scheme is de¦ned directly on the basis of kinetic models which involve a Prandtl number correction. Moreover, the methods are defined fully analytically instead of making use of Taylor expansion for the evaluation of the required derivatives. The scheme has been tested for various test cases and Mach numbers proving to produce reliable predictions in agreement with other approaches for near-continuum flows. Finally, the performance of the scheme, in terms of memory and computational time, compared to discrete velocity methods makes it a compelling alternative in place of more complex methods for hybrid simulations of weakly rarefied flows.

An interdiffusional model for prediction of the interaction layer growth in the system uranium molybdenum/aluminum

NASA Astrophysics Data System (ADS)

Soba, A.; Denis, A.

2007-03-01

The codes PLACA and DPLACA, elaborated in this working group, simulate the behavior of a plate-type fuel containing in its core a foil of monolithic or dispersed fissile material, respectively, under normal operation conditions of a research reactor. Dispersion fuels usually consist of ceramic particles of a uranium compound in a high thermal conductivity matrix. The use of particles of a U-Mo alloy in a matrix of Al requires especially devoted subroutines able to simulate the growth of the interaction layer that develops between the particles and the matrix. A model is presented in this work that gives account of these particular phenomena. It is based on the assumption that diffusion of U and Al through the layer is the rate-determining step. Two moving interfaces separate the growing reaction layer from the original phases. The kinetics of these boundaries are solved as Stefan problems. In order to test the model and the associated code, some previous, simpler problems corresponding to similar systems for which analytical solutions or experimental data are known were simulated. Experiments performed with planar U-Mo/Al diffusion couples are reported in the literature, which purpose is to obtain information on the system parameters. These experiments were simulated with PLACA. Results of experiments performed with U-Mo particles disperse in Al either without or with irradiation, published in the open literature were simulated with DPLACA. A satisfactory prediction of the whole reaction layer thickness and of the individual fractions corresponding to alloy and matrix consumption was obtained.

Automotive Underhood Thermal Management Analysis Using 3-D Coupled Thermal-Hydrodynamic Computer Models: Thermal Radiation Modeling

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

Pannala, S; D'Azevedo, E; Zacharia, T

The goal of the radiation modeling effort was to develop and implement a radiation algorithm that is fast and accurate for the underhood environment. As part of this CRADA, a net-radiation model was chosen to simulate radiative heat transfer in an underhood of a car. The assumptions (diffuse-gray and uniform radiative properties in each element) reduce the problem tremendously and all the view factors for radiation thermal calculations can be calculated once and for all at the beginning of the simulation. The cost for online integration of heat exchanges due to radiation is found to be less than 15% ofmore » the baseline CHAD code and thus very manageable. The off-line view factor calculation is constructed to be very modular and has been completely integrated to read CHAD grid files and the output from this code can be read into the latest version of CHAD. Further integration has to be performed to accomplish the same with STAR-CD. The main outcome of this effort is to obtain a highly scalable and portable simulation capability to model view factors for underhood environment (for e.g. a view factor calculation which took 14 hours on a single processor only took 14 minutes on 64 processors). The code has also been validated using a simple test case where analytical solutions are available. This simulation capability gives underhood designers in the automotive companies the ability to account for thermal radiation - which usually is critical in the underhood environment and also turns out to be one of the most computationally expensive components of underhood simulations. This report starts off with the original work plan as elucidated in the proposal in section B. This is followed by Technical work plan to accomplish the goals of the project in section C. In section D, background to the current work is provided with references to the previous efforts this project leverages on. The results are discussed in section 1E. This report ends with conclusions and future scope of work in section F.« less

Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions

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

Nielsen, Jens; D’Avezac, Mayeul; Hetherington, James

2013-12-14

Ab initio kinetic Monte Carlo (KMC) simulations have been successfully applied for over two decades to elucidate the underlying physico-chemical phenomena on the surfaces of heterogeneous catalysts. These simulations necessitate detailed knowledge of the kinetics of elementary reactions constituting the reaction mechanism, and the energetics of the species participating in the chemistry. The information about the energetics is encoded in the formation energies of gas and surface-bound species, and the lateral interactions between adsorbates on the catalytic surface, which can be modeled at different levels of detail. The majority of previous works accounted for only pairwise-additive first nearest-neighbor interactions. Moremore » recently, cluster-expansion Hamiltonians incorporating long-range interactions and many-body terms have been used for detailed estimations of catalytic rate [C. Wu, D. J. Schmidt, C. Wolverton, and W. F. Schneider, J. Catal. 286, 88 (2012)]. In view of the increasing interest in accurate predictions of catalytic performance, there is a need for general-purpose KMC approaches incorporating detailed cluster expansion models for the adlayer energetics. We have addressed this need by building on the previously introduced graph-theoretical KMC framework, and we have developed Zacros, a FORTRAN2003 KMC package for simulating catalytic chemistries. To tackle the high computational cost in the presence of long-range interactions we introduce parallelization with OpenMP. We further benchmark our framework by simulating a KMC analogue of the NO oxidation system established by Schneider and co-workers [J. Catal. 286, 88 (2012)]. We show that taking into account only first nearest-neighbor interactions may lead to large errors in the prediction of the catalytic rate, whereas for accurate estimates thereof, one needs to include long-range terms in the cluster expansion.« less

Investigation of the impact of high liquid viscosity on jet atomization in crossflow via high-fidelity simulations

NASA Astrophysics Data System (ADS)

Li, Xiaoyi; Gao, Hui; Soteriou, Marios C.

2017-08-01

Atomization of extremely high viscosity liquid can be of interest for many applications in aerospace, automotive, pharmaceutical, and food industries. While detailed atomization measurements usually face grand challenges, high-fidelity numerical simulations offer the advantage to comprehensively explore the atomization details. In this work, a previously validated high-fidelity first-principle simulation code HiMIST is utilized to simulate high-viscosity liquid jet atomization in crossflow. The code is used to perform a parametric study of the atomization process in a wide range of Ohnesorge numbers (Oh = 0.004-2) and Weber numbers (We = 10-160). Direct comparisons between the present study and previously published low-viscosity jet in crossflow results are performed. The effects of viscous damping and slowing on jet penetration, liquid surface instabilities, ligament formation/breakup, and subsequent droplet formation are investigated. Complex variations in near-field and far-field jet penetrations with increasing Oh at different We are observed and linked with the underlying jet deformation and breakup physics. Transition in breakup regimes and increase in droplet size with increasing Oh are observed, mostly consistent with the literature reports. The detailed simulations elucidate a distinctive edge-ligament-breakup dominated process with long surviving ligaments for the higher Oh cases, as opposed to a two-stage edge-stripping/column-fracture process for the lower Oh counterparts. The trend of decreasing column deflection with increasing We is reversed as Oh increases. A predominantly unimodal droplet size distribution is predicted at higher Oh, in contrast to the bimodal distribution at lower Oh. It has been found that both Rayleigh-Taylor and Kelvin-Helmholtz linear stability theories cannot be easily applied to interpret the distinct edge breakup process and further study of the underlying physics is needed.

Cloud computing and validation of expandable in silico livers.

PubMed

Ropella, Glen E P; Hunt, C Anthony

2010-12-03

In Silico Livers (ISLs) are works in progress. They are used to challenge multilevel, multi-attribute, mechanistic hypotheses about the hepatic disposition of xenobiotics coupled with hepatic responses. To enhance ISL-to-liver mappings, we added discrete time metabolism, biliary elimination, and bolus dosing features to a previously validated ISL and initiated re-validated experiments that required scaling experiments to use more simulated lobules than previously, more than could be achieved using the local cluster technology. Rather than dramatically increasing the size of our local cluster we undertook the re-validation experiments using the Amazon EC2 cloud platform. So doing required demonstrating the efficacy of scaling a simulation to use more cluster nodes and assessing the scientific equivalence of local cluster validation experiments with those executed using the cloud platform. The local cluster technology was duplicated in the Amazon EC2 cloud platform. Synthetic modeling protocols were followed to identify a successful parameterization. Experiment sample sizes (number of simulated lobules) on both platforms were 49, 70, 84, and 152 (cloud only). Experimental indistinguishability was demonstrated for ISL outflow profiles of diltiazem using both platforms for experiments consisting of 84 or more samples. The process was analogous to demonstration of results equivalency from two different wet-labs. The results provide additional evidence that disposition simulations using ISLs can cover the behavior space of liver experiments in distinct experimental contexts (there is in silico-to-wet-lab phenotype similarity). The scientific value of experimenting with multiscale biomedical models has been limited to research groups with access to computer clusters. The availability of cloud technology coupled with the evidence of scientific equivalency has lowered the barrier and will greatly facilitate model sharing as well as provide straightforward tools for scaling simulations to encompass greater detail with no extra investment in hardware.

Robust multi-site MR data processing: iterative optimization of bias correction, tissue classification, and registration.

PubMed

Young Kim, Eun; Johnson, Hans J

2013-01-01

A robust multi-modal tool, for automated registration, bias correction, and tissue classification, has been implemented for large-scale heterogeneous multi-site longitudinal MR data analysis. This work focused on improving the an iterative optimization framework between bias-correction, registration, and tissue classification inspired from previous work. The primary contributions are robustness improvements from incorporation of following four elements: (1) utilize multi-modal and repeated scans, (2) incorporate high-deformable registration, (3) use extended set of tissue definitions, and (4) use of multi-modal aware intensity-context priors. The benefits of these enhancements were investigated by a series of experiments with both simulated brain data set (BrainWeb) and by applying to highly-heterogeneous data from a 32 site imaging study with quality assessments through the expert visual inspection. The implementation of this tool is tailored for, but not limited to, large-scale data processing with great data variation with a flexible interface. In this paper, we describe enhancements to a joint registration, bias correction, and the tissue classification, that improve the generalizability and robustness for processing multi-modal longitudinal MR scans collected at multi-sites. The tool was evaluated by using both simulated and simulated and human subject MRI images. With these enhancements, the results showed improved robustness for large-scale heterogeneous MRI processing.

On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations

NASA Astrophysics Data System (ADS)

Zhao, Li; Liu, Jian-Yong; Zhou, Pan-Wang

2017-11-01

A detailed theoretical investigation based on the ab initio on-the-fly surface hopping dynamics simulations and potential energy surfaces calculations has been performed to unveil the mechanism of the photoinduced non-adiabatic relaxation process of the isolated blue fluorescent protein (BFP) chromophore in gas phase. The data analysis presents that the dominant reaction coordinate of the BFP chromophore is driven by a rotation motion around the CC double bridging bond, which is in remarkable difference with a previous result which supports a Hula-Twist rotation pattern. Such behavior is consistent with the double bond rotation pattern of the GFP neutral chromophore. In addition, the dynamics simulations give an estimated decay time of 1.1 ps for the S1 state, which is agrees well with the experimental values measured in proteins. The present work offers a straightforward understanding for the decay mechanism of the BFP chromophore and suggestions of the photochemical properties of analogous protein chromophores. We hope the current work would be helpful for further exploration of the BFP photochemical and photophysical properties in various environments, and can provide guidance and prediction for rational design of the fluorescent proteins catering for different demands.

A model of tungsten anode x-ray spectra

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

Hernández, G.; Fernández, F., E-mail: fdz@usal.es

2016-08-15

Purpose: A semiempirical model for x-ray production in tungsten thick-targets was evaluated using a new characterization of electron fluence. Methods: Electron fluence is modeled taking into account both the energy and angular distributions, each of them adjusted to Monte Carlo simulated data. Distances were scaled by the CSDA range to reduce the energy dependence. Bremsstrahlung production was found by integrating the cross section with the fluence in a 1D penetration model. Characteristic radiation was added using a semiempirical law whose validity was checked. The results were compared the experimental results of Bhat et al., with the SpekCalc numerical tool, andmore » with MCNPX simulation results from the work of Hernandez and Boone. Results: The model described shows better agreement with the experimental results than the SpekCalc predictions in the sense of area between the spectra. A general improvement of the predictions of half-value layers is also found. The results are also in good agreement with the simulation results in the 50–640 keV energy range. Conclusions: A complete model for x-ray production in thick bremsstrahlung targets has been developed, improving the results of previous works and extending the energy range covered to the 50–640 keV interval.« less

Role of water and steric constraints in the kinetics of cavity–ligand unbinding

PubMed Central

Tiwary, Pratyush; Mondal, Jagannath; Morrone, Joseph A.; Berne, B. J.

2015-01-01

A key factor influencing a drug’s efficacy is its residence time in the binding pocket of the host protein. Using atomistic computer simulation to predict this residence time and the associated dissociation process is a desirable but extremely difficult task due to the long timescales involved. This gets further complicated by the presence of biophysical factors such as steric and solvation effects. In this work, we perform molecular dynamics (MD) simulations of the unbinding of a popular prototypical hydrophobic cavity–ligand system using a metadynamics-based approach that allows direct assessment of kinetic pathways and parameters. When constrained to move in an axial manner, the unbinding time is found to be on the order of 4,000 s. In accordance with previous studies, we find that the cavity must pass through a region of sharp wetting transition manifested by sudden and high fluctuations in solvent density. When we remove the steric constraints on ligand, the unbinding happens predominantly by an alternate pathway, where the unbinding becomes 20 times faster, and the sharp wetting transition instead becomes continuous. We validate the unbinding timescales from metadynamics through a Poisson analysis, and by comparison through detailed balance to binding timescale estimates from unbiased MD. This work demonstrates that enhanced sampling can be used to perform explicit solvent MD studies at timescales previously unattainable, to our knowledge, obtaining direct and reliable pictures of the underlying physiochemical factors including free energies and rate constants. PMID:26371312

Role of water and steric constraints in the kinetics of cavity-ligand unbinding.

PubMed

Tiwary, Pratyush; Mondal, Jagannath; Morrone, Joseph A; Berne, B J

2015-09-29

A key factor influencing a drug's efficacy is its residence time in the binding pocket of the host protein. Using atomistic computer simulation to predict this residence time and the associated dissociation process is a desirable but extremely difficult task due to the long timescales involved. This gets further complicated by the presence of biophysical factors such as steric and solvation effects. In this work, we perform molecular dynamics (MD) simulations of the unbinding of a popular prototypical hydrophobic cavity-ligand system using a metadynamics-based approach that allows direct assessment of kinetic pathways and parameters. When constrained to move in an axial manner, the unbinding time is found to be on the order of 4,000 s. In accordance with previous studies, we find that the cavity must pass through a region of sharp wetting transition manifested by sudden and high fluctuations in solvent density. When we remove the steric constraints on ligand, the unbinding happens predominantly by an alternate pathway, where the unbinding becomes 20 times faster, and the sharp wetting transition instead becomes continuous. We validate the unbinding timescales from metadynamics through a Poisson analysis, and by comparison through detailed balance to binding timescale estimates from unbiased MD. This work demonstrates that enhanced sampling can be used to perform explicit solvent MD studies at timescales previously unattainable, to our knowledge, obtaining direct and reliable pictures of the underlying physiochemical factors including free energies and rate constants.

Effects of ATC automation on precision approaches to closely space parallel runways

NASA Technical Reports Server (NTRS)

Slattery, R.; Lee, K.; Sanford, B.

1995-01-01

Improved navigational technology (such as the Microwave Landing System and the Global Positioning System) installed in modern aircraft will enable air traffic controllers to better utilize available airspace. Consequently, arrival traffic can fly approaches to parallel runways separated by smaller distances than are currently allowed. Previous simulation studies of advanced navigation approaches have found that controller workload is increased when there is a combination of aircraft that are capable of following advanced navigation routes and aircraft that are not. Research into Air Traffic Control automation at Ames Research Center has led to the development of the Center-TRACON Automation System (CTAS). The Final Approach Spacing Tool (FAST) is the component of the CTAS used in the TRACON area. The work in this paper examines, via simulation, the effects of FAST used for aircraft landing on closely spaced parallel runways. The simulation contained various combinations of aircraft, equipped and unequipped with advanced navigation systems. A set of simulations was run both manually and with an augmented set of FAST advisories to sequence aircraft, assign runways, and avoid conflicts. The results of the simulations are analyzed, measuring the airport throughput, aircraft delay, loss of separation, and controller workload.

Simulating Bone Loss in Microgravity Using Mathematical Formulations of Bone Remodeling

NASA Technical Reports Server (NTRS)

Pennline, James A.

2009-01-01

Most mathematical models of bone remodeling are used to simulate a specific bone disease, by disrupting the steady state or balance in the normal remodeling process, and to simulate a therapeutic strategy. In this work, the ability of a mathematical model of bone remodeling to simulate bone loss as a function of time under the conditions of microgravity is investigated. The model is formed by combining a previously developed set of biochemical, cellular dynamics, and mechanical stimulus equations in the literature with two newly proposed equations; one governing the rate of change of the area of cortical bone tissue in a cross section of a cylindrical section of bone and one governing the rate of change of calcium in the bone fluid. The mechanical stimulus comes from a simple model of stress due to a compressive force on a cylindrical section of bone which can be reduced to zero to mimic the effects of skeletal unloading in microgravity. The complete set of equations formed is a system of first order ordinary differential equations. The results of selected simulations are displayed and discussed. Limitations and deficiencies of the model are also discussed as well as suggestions for further research.

The roles of COMT val158met status and aviation expertise in flight simulator performance and cognitive ability.

PubMed

Kennedy, Q; Taylor, J L; Noda, A; Adamson, M; Murphy, G M; Zeitzer, J M; Yesavage, J A

2011-09-01

The polymorphic variation in the val158met position of the catechol-O-methyltransferase (COMT) gene is associated with differences in executive performance, processing speed, and attention. The purpose of this study is: (1) replicate previous COMT val158met findings on cognitive performance; (2) determine whether COMT val158met effects extend to a real-world task, aircraft navigation performance in a flight simulator; and (3) determine if aviation expertise moderates any effect of COMT val158met status on flight simulator performance. One hundred seventy two pilots aged 41-69 years, who varied in level of aviation training and experience, completed flight simulator, cognitive, and genetic assessments. Results indicate that although no COMT effect was found for an overall measure of flight performance, a positive effect of the met allele was detected for two aspects of cognitive ability: executive functioning and working memory performance. Pilots with the met/met genotype benefited more from increased levels of expertise than other participants on a traffic avoidance measure, which is a component of flight simulator performance. These preliminary results indicate that COMT val158met polymorphic variation can affect a real-world task.

Inviscid Wall-Modeled Large Eddy Simulations for Improved Efficiency

NASA Astrophysics Data System (ADS)

Aikens, Kurt; Craft, Kyle; Redman, Andrew

2015-11-01

The accuracy of an inviscid flow assumption for wall-modeled large eddy simulations (LES) is examined because of its ability to reduce simulation costs. This assumption is not generally applicable for wall-bounded flows due to the high velocity gradients found near walls. In wall-modeled LES, however, neither the viscous near-wall region or the viscous length scales in the outer flow are resolved. Therefore, the viscous terms in the Navier-Stokes equations have little impact on the resolved flowfield. Zero pressure gradient flat plate boundary layer results are presented for both viscous and inviscid simulations using a wall model developed previously. The results are very similar and compare favorably to those from another wall model methodology and experimental data. Furthermore, the inviscid assumption reduces simulation costs by about 25% and 39% for supersonic and subsonic flows, respectively. Future research directions are discussed as are preliminary efforts to extend the wall model to include the effects of unresolved wall roughness. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575. Computational resources on TACC Stampede were provided under XSEDE allocation ENG150001.

The Roles of COMT val158met Status and Aviation Expertise in Flight Simulator Performance and Cognitive Ability

PubMed Central

Taylor, J. L.; Noda, A.; Adamson, M.; Murphy, G. M.; Zeitzer, J. M.; Yesavage, J. A.

2011-01-01

The polymorphic variation in the val158met position of the catechol-O-methyltransferase (COMT) gene is associated with differences in executive performance, processing speed, and attention. The purpose of this study is: (1) replicate previous COMT val158met findings on cognitive performance; (2) determine whether COMT val158met effects extend to a real-world task, aircraft navigation performance in a flight simulator; and (3) determine if aviation expertise moderates any effect of COMT val158met status on flight simulator performance. One hundred seventy two pilots aged 41–69 years, who varied in level of aviation training and experience, completed flight simulator, cognitive, and genetic assessments. Results indicate that although no COMT effect was found for an overall measure of flight performance, a positive effect of the met allele was detected for two aspects of cognitive ability: executive functioning and working memory performance. Pilots with the met/met genotype benefited more from increased levels of expertise than other participants on a traffic avoidance measure, which is a component of flight simulator performance. These preliminary results indicate that COMT val158met polymorphic variation can affect a real-world task. PMID:21193954

Improvements to a High Spectral Resolution, Radiation-Hydrodynamics Model of a Lightning Return Stroke and Comparisons with Measured Spectra and Inferred Plasma Properties

NASA Astrophysics Data System (ADS)

Edwards, J. D.; Dreike, P.; Smith, M. W.; Clemenson, M. D.; Zollweg, J. D.

2015-12-01

We describe developments to a 1-D cylindrical, radiation-hydrodynamics model of a lightning return stroke that simulates lighting spectra with 1 Angstrom resolution in photon wavelength. In previous calculations we assumed standard density air in the return stroke channel and the resulting optical spectrum was that of an optically thick emitter, unlike measured spectra that are optically thin. In this work, we improve our model by initializing our simulation assuming that the leader-heated channel is pre-expanded to a density of 0.01-0.05 ambient and near pressure equilibrium with the surrounding ambient air and by implementing a time-dependent, external heat source to incorporate the effects of continuing current. By doing so, our simulated spectra, illustrated in the attached figure, show strong spectral emission characteristics at wavelengths similar to spectra measured by Orville (1968). In this poster, we describe our model and compare our simulated results with spectra measured by Orville (1968) and Smith (2015). We also use spectroscopic methods to compute physical properties of the plasma channel, e.g. temperature, from Smith's measurements and compare these with our simulated results.

Building energy simulation in real time through an open standard interface

DOE PAGES

Pang, Xiufeng; Nouidui, Thierry S.; Wetter, Michael; ...

2015-10-20

Building energy models (BEMs) are typically used for design and code compliance for new buildings and in the renovation of existing buildings to predict energy use. We present the increasing adoption of BEM as standard practice in the building industry presents an opportunity to extend the use of BEMs into construction, commissioning and operation. In 2009, the authors developed a real-time simulation framework to execute an EnergyPlus model in real time to improve building operation. This paper reports an enhancement of that real-time energy simulation framework. The previous version only works with software tools that implement the custom co-simulation interfacemore » of the Building Controls Virtual Test Bed (BCVTB), such as EnergyPlus, Dymola and TRNSYS. The new version uses an open standard interface, the Functional Mockup Interface (FMI), to provide a generic interface to any application that supports the FMI protocol. In addition, the new version utilizes the Simple Measurement and Actuation Profile (sMAP) tool as the data acquisition system to acquire, store and present data. Lastly, this paper introduces the updated architecture of the real-time simulation framework using FMI and presents proof-of-concept demonstration results which validate the new framework.« less

How well do simulated last glacial maximum tropical temperatures constrain equilibrium climate sensitivity?

NASA Astrophysics Data System (ADS)

Hopcroft, Peter O.; Valdes, Paul J.

2015-07-01

Previous work demonstrated a significant correlation between tropical surface air temperature and equilibrium climate sensitivity (ECS) in PMIP (Paleoclimate Modelling Intercomparison Project) phase 2 model simulations of the last glacial maximum (LGM). This implies that reconstructed LGM cooling in this region could provide information about the climate system ECS value. We analyze results from new simulations of the LGM performed as part of Coupled Model Intercomparison Project (CMIP5) and PMIP phase 3. These results show no consistent relationship between the LGM tropical cooling and ECS. A radiative forcing and feedback analysis shows that a number of factors are responsible for this decoupling, some of which are related to vegetation and aerosol feedbacks. While several of the processes identified are LGM specific and do not impact on elevated CO2 simulations, this analysis demonstrates one area where the newer CMIP5 models behave in a qualitatively different manner compared with the older ensemble. The results imply that so-called Earth System components such as vegetation and aerosols can have a significant impact on the climate response in LGM simulations, and this should be taken into account in future analyses.

X-Ray Astronomy

NASA Technical Reports Server (NTRS)

Wu, S. T.

2000-01-01

Dr. S. N. Zhang has lead a seven member group (Dr. Yuxin Feng, Mr. XuejunSun, Mr. Yongzhong Chen, Mr. Jun Lin, Mr. Yangsen Yao, and Ms. Xiaoling Zhang). This group has carried out the following activities: continued data analysis from space astrophysical missions CGRO, RXTE, ASCA and Chandra. Significant scientific results have been produced as results of their work. They discovered the three-layered accretion disk structure around black holes in X-ray binaries; their paper on this discovery is to appear in the prestigious Science magazine. They have also developed a new method for energy spectral analysis of black hole X-ray binaries; four papers on this topics were presented at the most recent Atlanta AAS meeting. They have also carried Monte-Carlo simulations of X-ray detectors, in support to the hardware development efforts at Marshall Space Flight Center (MSFC). These computation-intensive simulations have been carried out entirely on the computers at UAH. They have also carried out extensive simulations for astrophysical applications, taking advantage of the Monte-Carlo simulation codes developed previously at MSFC and further improved at UAH for detector simulations. One refereed paper and one contribution to conference proceedings have been resulted from this effort.

An in-depth analysis of temperature effect on DIBL in UTBB FD SOI MOSFETs based on experimental data, numerical simulations and analytical models

NASA Astrophysics Data System (ADS)

Pereira, A. S. N.; de Streel, G.; Planes, N.; Haond, M.; Giacomini, R.; Flandre, D.; Kilchytska, V.

2017-02-01

The Drain Induced Barrier Lowering (DIBL) behavior in Ultra-Thin Body and Buried oxide (UTBB) transistors is investigated in details in the temperature range up to 150 °C, for the first time to the best of our knowledge. The analysis is based on experimental data, physical device simulation, compact model (SPICE) simulation and previously published models. Contrary to MASTAR prediction, experiments reveal DIBL increase with temperature. Physical device simulations of different thin-film fully-depleted (FD) devices outline the generality of such behavior. SPICE simulations, with UTSOI DK2.4 model, only partially adhere to experimental trends. Several analytic models available in the literature are assessed for DIBL vs. temperature prediction. Although being the closest to experiments, Fasarakis' model overestimates DIBL(T) dependence for shortest devices and underestimates it for upsized gate lengths frequently used in ultra-low-voltage (ULV) applications. This model is improved in our work, by introducing a temperature-dependent inversion charge at threshold. The improved model shows very good agreement with experimental data, with high gain in precision for the gate lengths under test.

Evaluation of dispersion strengthened nickel-base alloy heat shields for space shuttle application

NASA Technical Reports Server (NTRS)

Johnson, R., Jr.; Killpatrick, D. H.

1973-01-01

The work reported constitutes the first phase of a two-phase program. Vehicle environments having critical effects on the thermal protection system are defined; TD Ni-20Cr material characteristics are reviewed and compared with TD Ni-20Cr produced in previous development efforts; cyclic load, temperature, and pressure effects on TD Ni-20Cr sheet material are investigated; the effects of braze reinforcement in improving the efficiency of spotwelded, diffusion-bonded, or seam-welded joints are evaluated through tests of simple lap-shear joint samples; parametric studies of metallic radiative thermal protection systems are reported; and the design, instrumentation, and testing of full-scale subsize heat shield panels are described. Tests of full-scale subsize panels included simulated meteoroid impact tests; simulated entry flight aerodynamic heating in an arc-heated plasma stream; programmed differential pressure loads and temperatures simulating mission conditions; and acoustic tests simulating sound levels experienced by heat shields during about boost flight. Test results are described, and the performances of two heat shield designs are compared and evaluated.

Molecular dynamics studies of a hexameric purine nucleoside phosphorylase.

PubMed

Zanchi, Fernando Berton; Caceres, Rafael Andrade; Stabeli, Rodrigo Guerino; de Azevedo, Walter Filgueira

2010-03-01

Purine nucleoside phosphorylase (PNP) (EC.2.4.2.1) is an enzyme that catalyzes the cleavage of N-ribosidic bonds of the purine ribonucleosides and 2-deoxyribonucleosides in the presence of inorganic orthophosphate as a second substrate. This enzyme is involved in purine-salvage pathway and has been proposed as a promising target for design and development of antimalarial and antibacterial drugs. Recent elucidation of the three-dimensional structure of PNP by X-ray protein crystallography left open the possibility of structure-based virtual screening initiatives in combination with molecular dynamics simulations focused on identification of potential new antimalarial drugs. Most of the previously published molecular dynamics simulations of PNP were carried out on human PNP, a trimeric PNP. The present article describes for the first time molecular dynamics simulations of hexameric PNP from Plasmodium falciparum (PfPNP). Two systems were simulated in the present work, PfPNP in ligand free form, and in complex with immucillin and sulfate. Based on the dynamical behavior of both systems the main results related to structural stability and protein-drug interactions are discussed.

Quantum rewinding via phase estimation

NASA Astrophysics Data System (ADS)

Tabia, Gelo Noel

2015-03-01

In cryptography, the notion of a zero-knowledge proof was introduced by Goldwasser, Micali, and Rackoff. An interactive proof system is said to be zero-knowledge if any verifier interacting with an honest prover learns nothing beyond the validity of the statement being proven. With recent advances in quantum information technologies, it has become interesting to ask if classical zero-knowledge proof systems remain secure against adversaries with quantum computers. The standard approach to show the zero-knowledge property involves constructing a simulator for a malicious verifier that can be rewinded to a previous step when the simulation fails. In the quantum setting, the simulator can be described by a quantum circuit that takes an arbitrary quantum state as auxiliary input but rewinding becomes a nontrivial issue. Watrous proposed a quantum rewinding technique in the case where the simulation's success probability is independent of the auxiliary input. Here I present a more general quantum rewinding scheme that employs the quantum phase estimation algorithm. This work was funded by institutional research grant IUT2-1 from the Estonian Research Council and by the European Union through the European Regional Development Fund.

Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

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

Valentim, Alexandra; Rocha, Julio C. S.; Tsai, Shan-Ho

We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, inmore » which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this diculty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.« less

A Microstructure-Based Constitutive Model for Superplastic Forming

NASA Astrophysics Data System (ADS)

Jafari Nedoushan, Reza; Farzin, Mahmoud; Mashayekhi, Mohammad; Banabic, Dorel

2012-11-01

A constitutive model is proposed for simulations of hot metal forming processes. This model is constructed based on dominant mechanisms that take part in hot forming and includes intergranular deformation, grain boundary sliding, and grain boundary diffusion. A Taylor type polycrystalline model is used to predict intergranular deformation. Previous works on grain boundary sliding and grain boundary diffusion are extended to drive three-dimensional macro stress-strain rate relationships for each mechanism. In these relationships, the effect of grain size is also taken into account. The proposed model is first used to simulate step strain-rate tests and the results are compared with experimental data. It is shown that the model can be used to predict flow stresses for various grain sizes and strain rates. The yield locus is then predicted for multiaxial stress states, and it is observed that it is very close to the von Mises yield criterion. It is also shown that the proposed model can be directly used to simulate hot forming processes. Bulge forming process and gas pressure tray forming are simulated, and the results are compared with experimental data.

Molecular Dynamics Simulation Study of the Capacitive Performance of a Binary Mixture of Ionic Liquids near an Onion-like Carbon Electrode.

PubMed

Li, Song; Feng, Guang; Fulvio, Pasquale F; Hillesheim, Patrick C; Liao, Chen; Dai, Sheng; Cummings, Peter T

2012-09-06

An equimolar mixture of 1-methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([C3mpy][Tf2N]), 1-methyl-1-butylpiperidinium bis(trifluoromethylsulfonyl)imide ([C4mpip][Tf2N]) was investigated by classic molecular dynamics (MD) simulation. Differential scanning calorimetry (DSC) measurements verified that the binary mixture exhibited lower glass transition temperature than either of the pure room-temperature ionic liquids (RTILs). Moreover, the binary mixture gave rise to higher conductivity than the neat RTILs at lower temperature range. In order to study its capacitive performance in supercapacitors, simulations were performed of the mixture, and the neat RTILs used as electrolytes near an onion-like carbon (OLC) electrode at varying temperatures. The differential capacitance exhibited independence of the electrical potential applied for three electrolytes, which is in agreement with previous work on OLC electrodes in a different RTILs. Positive temperature dependence of the differential capacitance was observed, and it was dominated by the electrical double layer (EDL) thickness, which is for the first time substantiated in MD simulation.

Bias-Exchange Metadynamics Simulation of Membrane Permeation of 20 Amino Acids.

PubMed

Cao, Zanxia; Bian, Yunqiang; Hu, Guodong; Zhao, Liling; Kong, Zhenzhen; Yang, Yuedong; Wang, Jihua; Zhou, Yaoqi

2018-03-16

Thermodynamics of the permeation of amino acids from water to lipid bilayers is an important first step for understanding the mechanism of cell-permeating peptides and the thermodynamics of membrane protein structure and stability. In this work, we employed bias-exchange metadynamics simulations to simulate the membrane permeation of all 20 amino acids from water to the center of a dipalmitoylphosphatidylcholine (DPPC) membrane (consists of 256 lipids) by using both directional and torsion angles for conformational sampling. The overall accuracy for the free energy profiles obtained is supported by significant correlation coefficients (correlation coefficient at 0.5-0.6) between our results and previous experimental or computational studies. The free energy profiles indicated that (1) polar amino acids have larger free energy barriers than nonpolar amino acids; (2) negatively charged amino acids are the most difficult to enter into the membrane; and (3) conformational transitions for many amino acids during membrane crossing is the key for reduced free energy barriers. These results represent the first set of simulated free energy profiles of membrane crossing for all 20 amino acids.

Coarse-grained theory of a realistic tetrahedral liquid model

NASA Astrophysics Data System (ADS)

Procaccia, I.; Regev, I.

2012-02-01

Tetrahedral liquids such as water and silica-melt show unusual thermodynamic behavior such as a density maximum and an increase in specific heat when cooled to low temperatures. Previous work had shown that Monte Carlo and mean-field solutions of a lattice model can exhibit these anomalous properties with or without a phase transition, depending on the values of the different terms in the Hamiltonian. Here we use a somewhat different approach, where we start from a very popular empirical model of tetrahedral liquids —the Stillinger-Weber model— and construct a coarse-grained theory which directly quantifies the local structure of the liquid as a function of volume and temperature. We compare the theory to molecular-dynamics simulations and show that the theory can rationalize the simulation results and the anomalous behavior.

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

PubMed

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

2017-07-01

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

Scaling Analysis of Alloy Solidification and Fluid Flow in a Rectangular Cavity

NASA Astrophysics Data System (ADS)

Plotkowski, A.; Fezi, K.; Krane, M. J. M.

A scaling analysis was performed to predict trends in alloy solidification in a side-cooled rectangular cavity. The governing equations for energy and momentum were scaled in order to determine the dependence of various aspects of solidification on the process parameters for a uniform initial temperature and an isothermal boundary condition. This work improved on previous analyses by adding considerations for the cooling bulk fluid flow. The analysis predicted the time required to extinguish the superheat, the maximum local solidification time, and the total solidification time. The results were compared to a numerical simulation for a Al-4.5 wt.% Cu alloy with various initial and boundary conditions. Good agreement was found between the simulation results and the trends predicted by the scaling analysis.

Solar Flare Physics

NASA Technical Reports Server (NTRS)

Schmahl, Edward J.; Kundu, Mukul R.

1998-01-01

We have continued our previous efforts in studies of fourier imaging methods applied to hard X-ray flares. We have performed physical and theoretical analysis of rotating collimator grids submitted to GSFC(Goddard Space Flight Center) for the High Energy Solar Spectroscopic Imager (HESSI). We have produced simulation algorithms which are currently being used to test imaging software and hardware for HESSI. We have developed Maximum-Entropy, Maximum-Likelihood, and "CLEAN" methods for reconstructing HESSI images from count-rate profiles. This work is expected to continue through the launch of HESSI in July, 2000. Section 1 shows a poster presentation "Image Reconstruction from HESSI Photon Lists" at the Solar Physics Division Meeting, June 1998; Section 2 shows the text and viewgraphs prepared for "Imaging Simulations" at HESSI's Preliminary Design Review on July 30, 1998.

Phase 2 testing results of immobilization of WTP effluent management facility vaporator bottoms simulant

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

Reigel, M.; Cozzi, A.; McCabe, D.

2017-09-08

The Hanford Waste Treatment and Immobilization Plant (WTP) Low Activity Waste (LAW) vitrification facility will generate an aqueous condensate recycle stream (LAW Melter Off-Gas Condensate) from the primary off-gas system. This work examined three waste form formulations based on previous testing with related simulants: 8 wt% ordinary portland cement (OPC), 47 wt% blast furnace slag (BFS), 45 wt% fly ash (FA) known as Cast Stone formulation; 20 wt% Aquaset® II-GH and 80 wt% BFS; 20 wt% OPC and 80 wt% BFS. These tests successfully produced one waste form that set within five days (Cast Stone formulation); however the other twomore » formulations, Aquaset® II-GH/BFS and OPC/BFS, took approximately eight and fourteen days to set, respectively.« less

Equivalence between solar irradiance and solar simulators in aging tests of sunglasses.

PubMed

Masili, Mauro; Ventura, Liliane

2016-08-26

This work is part of a broader research that focuses on ocular health. Three outlines are the basis of the pyramid that comprehend the research as a whole: authors' previous work, which has provided the public to self-check their own sunglasses regarding the ultraviolet protection compatible to their category; Brazilian national survey in order to improve nationalization of sunglasses standards; and studies conducted on revisiting requirements of worldwide sunglasses standards, in which this work is inserted. It is still controversial on the literature the ultraviolet (UV) radiation effects on the ocular media, but the World Health Organization has established safe limits on the exposure of eyes to UV radiation based on the studies reported in literature. Sunglasses play an important role in providing safety, and their lenses should provide adequate UV filters. Regarding UV protection for ocular media, the resistance-to-irradiance test for sunglasses under many national standards requires irradiating lenses for 50 uninterrupted hours with a 450 W solar simulator. This artificial aging test may provide a corresponding evaluation of exposure to the sun. Calculating the direct and diffuse solar irradiance at a vertical surface and the corresponding radiant exposure for the entire year, we compare the latter with the 50-h radiant exposure of a 450 W xenon arc lamp from a solar simulator required by national standards. Our calculations indicate that this stress test is ineffective in its present form. We provide evidence of the need to re-evaluate the parameters of the tests to establish appropriate safe limits for UV irradiance. This work is potentially significant for scientists and legislators in the field of sunglasses standards to improve the requirements of sunglasses quality and safety.

Reservoir simulation with the cubic plus (cross-) association equation of state for water, CO2, hydrocarbons, and tracers

NASA Astrophysics Data System (ADS)

Moortgat, Joachim

2018-04-01

This work presents an efficient reservoir simulation framework for multicomponent, multiphase, compressible flow, based on the cubic-plus-association (CPA) equation of state (EOS). CPA is an accurate EOS for mixtures that contain non-polar hydrocarbons, self-associating polar water, and cross-associating molecules like methane, ethane, unsaturated hydrocarbons, CO2, and H2S. While CPA is accurate, its mathematical formulation is highly non-linear, resulting in excessive computational costs that have made the EOS unfeasible for large scale reservoir simulations. This work presents algorithms that overcome these bottlenecks and achieve an efficiency comparable to the much simpler cubic EOS approach. The main applications that require such accurate phase behavior modeling are 1) the study of methane leakage from high-pressure production wells and its potential impact on groundwater resources, 2) modeling of geological CO2 sequestration in brine aquifers when one is interested in more than the CO2 and H2O components, e.g. methane, other light hydrocarbons, and various tracers, and 3) enhanced oil recovery by CO2 injection in reservoirs that have previously been waterflooded or contain connate water. We present numerical examples of all those scenarios, extensive validation of the CPA EOS with experimental data, and analyses of the efficiency of our proposed numerical schemes. The accuracy, efficiency, and robustness of the presented phase split computations pave the way to more widespread adoption of CPA in reservoir simulators.

B-scan technique for localization and characterization of fatigue cracks around fastener holes in multi-layered structures

NASA Astrophysics Data System (ADS)

Hopkins, Deborah; Datuin, Marvin; Aldrin, John; Warchol, Mark; Warchol, Lyudmila; Forsyth, David

2018-04-01

The work presented here aims to develop and transition angled-beam shear-wave inspection techniques for crack localization at fastener sites in multi-layer aircraft structures. This requires moving beyond detection to achieve reliable crack location and size, thereby providing invaluable information for maintenance actions and service-life management. The technique presented is based on imaging cracks in "True" B-scans (depth view projected in the sheets along the beam path). The crack traces that contribute to localization in the True B-scans depend on small, diffracted signals from the crack edges and tips that are visible in simulations and experimental data acquired with sufficient gain. The most recent work shows that cracks rotated toward and away from the central ultrasonic beam also yield crack traces in True B-scans that allow localization in simulations, even for large obtuse angles where experimental and simulation results show very small or no indications in the C-scans. Similarly, for two sheets joined by sealant, simulations show that cracks in the second sheet can be located in True B-scans for all locations studied: cracks that intersect the front or back wall of the second sheet, as well as relatively small mid-bore cracks. These results are consistent with previous model verification and sensitivity studies that demonstrate crack localization in True B-scans for a single sheet and cracks perpendicular to the ultrasonic beam.

Corn stover harvest increases herbicide movement to subsurface drains - Root Zone Water Quality Model simulations.

PubMed

Shipitalo, Martin J; Malone, Robert W; Ma, Liwang; Nolan, Bernard T; Kanwar, Rameshwar S; Shaner, Dale L; Pederson, Carl H

2016-06-01

Crop residue removal for bioenergy production can alter soil hydrologic properties and the movement of agrochemicals to subsurface drains. The Root Zone Water Quality Model (RZWQM), previously calibrated using measured flow and atrazine concentrations in drainage from a 0.4 ha chisel-tilled plot, was used to investigate effects of 50 and 100% corn (Zea mays L.) stover harvest and the accompanying reductions in soil crust hydraulic conductivity and total macroporosity on transport of atrazine, metolachlor and metolachlor oxanilic acid (OXA). The model accurately simulated field-measured metolachlor transport in drainage. A 3 year simulation indicated that 50% residue removal reduced subsurface drainage by 31% and increased atrazine and metolachlor transport in drainage 4-5-fold when surface crust conductivity and macroporosity were reduced by 25%. Based on its measured sorption coefficient, approximately twofold reductions in OXA losses were simulated with residue removal. The RZWQM indicated that, if corn stover harvest reduces crust conductivity and soil macroporosity, losses of atrazine and metolachlor in subsurface drainage will increase owing to reduced sorption related to more water moving through fewer macropores. Losses of the metolachlor degradation product OXA will decrease as a result of the more rapid movement of the parent compound into the soil. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Published 2015. This article is a U.S. Government work and is in the public domain in the USA.

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.

An improved cellular automaton method to model multispecies biofilms.

PubMed

Tang, Youneng; Valocchi, Albert J

2013-10-01

Biomass-spreading rules used in previous cellular automaton methods to simulate multispecies biofilm introduced extensive mixing between different biomass species or resulted in spatially discontinuous biomass concentration and distribution; this caused results based on the cellular automaton methods to deviate from experimental results and those from the more computationally intensive continuous method. To overcome the problems, we propose new biomass-spreading rules in this work: Excess biomass spreads by pushing a line of grid cells that are on the shortest path from the source grid cell to the destination grid cell, and the fractions of different biomass species in the grid cells on the path change due to the spreading. To evaluate the new rules, three two-dimensional simulation examples are used to compare the biomass distribution computed using the continuous method and three cellular automaton methods, one based on the new rules and the other two based on rules presented in two previous studies. The relationship between the biomass species is syntrophic in one example and competitive in the other two examples. Simulation results generated using the cellular automaton method based on the new rules agree much better with the continuous method than do results using the other two cellular automaton methods. The new biomass-spreading rules are no more complex to implement than the existing rules. Copyright © 2013 Elsevier Ltd. All rights reserved.

Size, History-Dependent, Activation and Three-Dimensional Effects on the Work and Power Produced During Cyclic Muscle Contractions.

PubMed

Ross, Stephanie A; Ryan, David S; Dominguez, Sebastian; Nigam, Nilima; Wakeling, James M

2018-05-03

Muscles undergo cycles of length change and force development during locomotion, and these contribute to their work and power production to drive body motion. Muscle fibres are typically considered to be linear actuators whose stress depends on their length, velocity, and activation state, and whose properties can be scaled up to explain the function of whole muscles. However, experimental and modelling studies have shown that a muscle's stress additionally depends on inactive and passive tissues within the muscle, the muscle's size, and its previous contraction history. These effects have not been tested under common sets of contraction conditions, especially the cyclic contractions that are typical of locomotion. Here we evaluate the relative effects of size, history-dependent, activation and three-dimensional effects on the work and power produced during cyclic contractions of muscle models. Simulations of muscle contraction were optimized to generate high power outputs: this resulted in the muscle models being largely active during shortening, and inactive during lengthening. As such, the history-dependent effects were dominated by force depression during simulated active shortening rather than force enhancement during active stretch. Internal work must be done to deform the muscle tissue, and to accelerate the internal muscle mass, resulting in reduced power and work that can be done on an external load. The effect of the muscle mass affects the scaling of muscle properties, with the inertial costs of contraction being relatively greater at larger sizes and lower activation levels.

Detail Extraction from Electron Backscatter Diffraction Patterns

NASA Astrophysics Data System (ADS)

Basinger, Jay

Cross-correlation based analysis of electron backscatter diffraction (EBSD) patterns and the use of simulated reference patterns has opened up entirely new avenues of insight into local lattice properties within EBSD scans. The benefits of accessing new levels of orientation resolution and multiple types of previously inaccessible data measures are accompanied with new challenges in characterizing microscope geometry and other error previously ignored in EBSD systems. The foremost of these challenges, when using simulated patterns in high resolution EBSD (HR-EBSD), is the determination of pattern center (the location on the sample from which the EBSD pattern originated) with sufficient accuracy to avoid the introduction of phantom lattice rotations and elastic strain into these highly sensitive measures. This dissertation demonstrates how to greatly improve pattern center determination. It also presents a method for the extraction of grain boundary plane information from single two-dimensional surface scans. These are accomplished through the use of previously un-accessed detail within EBSD images, coupled with physical models of the backscattering phenomena. A software algorithm is detailed and applied for the determination of pattern center with an accuracy of ˜0.03% of the phosphor screen width, or ˜10μm. This resolution makes it possible to apply a simulated pattern method (developed at BYU) in HR-EBSD, with several important benefits over the original HR-EBSD approach developed by Angus Wilkinson. Experimental work is done on epitaxially-grown silicon and germanium in order to gauge the precision of HR-EBSD with simulated reference patterns using the new pattern center calibration approach. It is found that strain resolution with a calibrated pattern center and simulated reference patterns can be as low as 7x10-4. Finally, Monte Carlo-based models of the electron interaction volume are used in conjunction with pattern-mixing-strength curves of line scans crossing grain boundaries in order to recover 3D grain boundary plane information. Validation of the approach is done using 3D serial scan data and coherent twin boundaries in tantalum and copper. The proposed method for recovery of grain boundary plane orientation exhibits an average error of 3 degrees.

Estimation of Dynamic Friction Process of the Akatani Landslide Based on the Waveform Inversion and Numerical Simulation

NASA Astrophysics Data System (ADS)

Yamada, M.; Mangeney, A.; Moretti, L.; Matsushi, Y.

2014-12-01

Understanding physical parameters, such as frictional coefficients, velocity change, and dynamic history, is important issue for assessing and managing the risks posed by deep-seated catastrophic landslides. Previously, landslide motion has been inferred qualitatively from topographic changes caused by the event, and occasionally from eyewitness reports. However, these conventional approaches are unable to evaluate source processes and dynamic parameters. In this study, we use broadband seismic recordings to trace the dynamic process of the deep-seated Akatani landslide that occurred on the Kii Peninsula, Japan, which is one of the best recorded large slope failures. Based on the previous results of waveform inversions and precise topographic surveys done before and after the event, we applied numerical simulations using the SHALTOP numerical model (Mangeney et al., 2007). This model describes homogeneous continuous granular flows on a 3D topography based on a depth averaged thin layer approximation. We assume a Coulomb's friction law with a constant friction coefficient, i. e. the friction is independent of the sliding velocity. We varied the friction coefficients in the simulation so that the resulting force acting on the surface agrees with the single force estimated from the seismic waveform inversion. Figure shows the force history of the east-west components after the band-pass filtering between 10-100 seconds. The force history of the simulation with frictional coefficient 0.27 (thin red line) the best agrees with the result of seismic waveform inversion (thick gray line). Although the amplitude is slightly different, phases are coherent for the main three pulses. This is an evidence that the point-source approximation works reasonably well for this particular event. The friction coefficient during the sliding was estimated to be 0.38 based on the seismic waveform inversion performed by the previous study and on the sliding block model (Yamada et al., 2013), whereas the frictional coefficient estimated from the numerical simulation was about 0.27. This discrepancy may be due to the digital elevation model, to the other forces such as pressure gradients and centrifugal acceleration included in the model. However, quantitative interpretation of this difference requires further investigation.