Communication: Multiple atomistic force fields in a single enhanced sampling simulation

NASA Astrophysics Data System (ADS)

Hoang Viet, Man; Derreumaux, Philippe; Nguyen, Phuong H.

2015-07-01

The main concerns of biomolecular dynamics simulations are the convergence of the conformational sampling and the dependence of the results on the force fields. While the first issue can be addressed by employing enhanced sampling techniques such as simulated tempering or replica exchange molecular dynamics, repeating these simulations with different force fields is very time consuming. Here, we propose an automatic method that includes different force fields into a single advanced sampling simulation. Conformational sampling using three all-atom force fields is enhanced by simulated tempering and by formulating the weight parameters of the simulated tempering method in terms of the energy fluctuations, the system is able to perform random walk in both temperature and force field spaces. The method is first demonstrated on a 1D system and then validated by the folding of the 10-residue chignolin peptide in explicit water.

SU-G-JeP2-15: Proton Beam Behavior in the Presence of Realistic Magnet Fields

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

Santos, D M; Wachowicz, K; Fallone, B G

2016-06-15

Purpose: To investigate the effects of magnetic fields on proton therapy beams for integration with MRI. Methods: 3D magnetic fields from an open-bore superconducting MRI model (previously developed by our group) and 3D magnetic fields from an in-house gradient coil design were applied to various mono energetic proton pencil beam (80MeV to 250MeV) simulations. In all simulations, the z-axis of the simulation geometry coincided with the direction of the B0 field and magnet isocentre. In each simulation, the initial beam trajectory was varied. The first set of simulations performed was based on analytic magnetic force equations (analytic simulations), which couldmore » be rapidly calculated yet were limited to propagating proton beams in vacuum. The second set is full Monte Carlo (MC) simulations, which used GEANT4 MC toolkit. Metrics such as the beam position and dose profiles were extracted. Comparisons between the cases with and without magnetic fields present were made. Results: The analytic simulations served as verification checks for the MC simulations when the same simulation geometries were used. The results of the analytic simulations agreed with the MC simulations performed in vacuum. The presence of the MRI’s static magnetic field causes proton pencil beams to follow a slight helical trajectory when there were some initial off-axis components. The 80MeV, 150MeV, and 250MeV proton beams rotated by 4.9o, 3.6o, and 2.8o, respectively, when they reached z=0cm. The deflections caused by gradient coils’ magnetic fields show spatially invariant patterns with a maximum range of 0.5mm at z=0cm. Conclusion: This investigation reveals that both the MRI’s B0 and gradient magnetic fields can cause small but observable deflections of proton beams at energies studied. The MRI’s static field caused a rotation of the beam while the gradient coils’ fields effects were spatially invariant. Dr. B Gino Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization)« less

Virtual DRI dataset development

NASA Astrophysics Data System (ADS)

Hixson, Jonathan G.; Teaney, Brian P.; May, Christopher; Maurer, Tana; Nelson, Michael B.; Pham, Justin R.

2017-05-01

The U.S. Army RDECOM CERDEC NVESD MSD's target acquisition models have been used for many years by the military analysis community for sensor design, trade studies, and field performance prediction. This paper analyzes the results of perception tests performed to compare the results of a field DRI (Detection, Recognition, and Identification Test) performed in 2009 to current Soldier performance viewing the same imagery in a laboratory environment and simulated imagery of the same data set. The purpose of the experiment is to build a robust data set for use in the virtual prototyping of infrared sensors. This data set will provide a strong foundation relating, model predictions, field DRI results and simulated imagery.

Investigations of a simulated geomagnetic field experienced by the International Space Station on attentional performance.

PubMed

Del Seppia, Cristina; Mezzasalma, Lorena; Messerotti, Mauro; Cordelli, Alessandro; Ghione, Sergio

2009-01-01

We have previously reported that the exposure to an abnormal magnetic field simulating the one encountered by the International Space Station (ISS) orbiting around the Earth may enhance autonomic response to emotional stimuli. Here we report the results of the second part of that study which tested whether this field also affects cognitive functions. Twenty-four volunteers participated in the study, 12 exposed to the natural geomagnetic field and 12 to the magnetic field encountered by ISS. The test protocol consisted of a set of eight tests chosen from a computerized test battery for the assessment of attentional performance. The duration of exposure was 90 min. No effect of exposure to ISS magnetic field was observed on attentional performance. (c) 2008 Wiley-Liss, Inc.

Modeling a Hall Thruster from Anode to Plume Far Field

DTIC Science & Technology

2008-12-31

Two dimensional ax symmetric simulations of xenon plasma plume flow fields from a D55 Anode layer Hall thruster is performed. A hybrid particle-fluid...method is used for the Simulations. The magnetic field surrounding the Hall thruster exit is included in the Calculation. The plasma properties

Magnetic field simulation and shimming analysis of 3.0T superconducting MRI system

NASA Astrophysics Data System (ADS)

Yue, Z. K.; Liu, Z. Z.; Tang, G. S.; Zhang, X. C.; Duan, L. J.; Liu, W. C.

2018-04-01

3.0T superconducting magnetic resonance imaging (MRI) system has become the mainstream of modern clinical MRI system because of its high field intensity and high degree of uniformity and stability. It has broad prospects in scientific research and other fields. We analyze the principle of magnet designing in this paper. We also perform the magnetic field simulation and shimming analysis of the first 3.0T/850 superconducting MRI system in the world using the Ansoft Maxwell simulation software. We guide the production and optimization of the prototype based on the results of simulation analysis. Thus the magnetic field strength, magnetic field uniformity and magnetic field stability of the prototype is guided to achieve the expected target.

Evaluation of DNA Force Fields in Implicit Solvation

PubMed Central

Gaillard, Thomas; Case, David A.

2011-01-01

DNA structural deformations and dynamics are crucial to its interactions in the cell. Theoretical simulations are essential tools to explore the structure, dynamics, and thermodynamics of biomolecules in a systematic way. Molecular mechanics force fields for DNA have benefited from constant improvements during the last decades. Several studies have evaluated and compared available force fields when the solvent is modeled by explicit molecules. On the other hand, few systematic studies have assessed the quality of duplex DNA models when implicit solvation is employed. The interest of an implicit modeling of the solvent consists in the important gain in the simulation performance and conformational sampling speed. In this study, respective influences of the force field and the implicit solvation model choice on DNA simulation quality are evaluated. To this end, extensive implicit solvent duplex DNA simulations are performed, attempting to reach both conformational and sequence diversity convergence. Structural parameters are extracted from simulations and statistically compared to available experimental and explicit solvation simulation data. Our results quantitatively expose the respective strengths and weaknesses of the different DNA force fields and implicit solvation models studied. This work can lead to the suggestion of improvements to current DNA theoretical models. PMID:22043178

Experimental validation of the TOPAS Monte Carlo system for passive scattering proton therapy

PubMed Central

Testa, M.; Schümann, J.; Lu, H.-M.; Shin, J.; Faddegon, B.; Perl, J.; Paganetti, H.

2013-01-01

Purpose: TOPAS (TOol for PArticle Simulation) is a particle simulation code recently developed with the specific aim of making Monte Carlo simulations user-friendly for research and clinical physicists in the particle therapy community. The authors present a thorough and extensive experimental validation of Monte Carlo simulations performed with TOPAS in a variety of setups relevant for proton therapy applications. The set of validation measurements performed in this work represents an overall end-to-end testing strategy recommended for all clinical centers planning to rely on TOPAS for quality assurance or patient dose calculation and, more generally, for all the institutions using passive-scattering proton therapy systems. Methods: The authors systematically compared TOPAS simulations with measurements that are performed routinely within the quality assurance (QA) program in our institution as well as experiments specifically designed for this validation study. First, the authors compared TOPAS simulations with measurements of depth-dose curves for spread-out Bragg peak (SOBP) fields. Second, absolute dosimetry simulations were benchmarked against measured machine output factors (OFs). Third, the authors simulated and measured 2D dose profiles and analyzed the differences in terms of field flatness and symmetry and usable field size. Fourth, the authors designed a simple experiment using a half-beam shifter to assess the effects of multiple Coulomb scattering, beam divergence, and inverse square attenuation on lateral and longitudinal dose profiles measured and simulated in a water phantom. Fifth, TOPAS’ capabilities to simulate time dependent beam delivery was benchmarked against dose rate functions (i.e., dose per unit time vs time) measured at different depths inside an SOBP field. Sixth, simulations of the charge deposited by protons fully stopping in two different types of multilayer Faraday cups (MLFCs) were compared with measurements to benchmark the nuclear interaction models used in the simulations. Results: SOBPs’ range and modulation width were reproduced, on average, with an accuracy of +1, −2 and ±3 mm, respectively. OF simulations reproduced measured data within ±3%. Simulated 2D dose-profiles show field flatness and average field radius within ±3% of measured profiles. The field symmetry resulted, on average in ±3% agreement with commissioned profiles. TOPAS accuracy in reproducing measured dose profiles downstream the half beam shifter is better than 2%. Dose rate function simulation reproduced the measurements within ∼2% showing that the four-dimensional modeling of the passively modulation system was implement correctly and millimeter accuracy can be achieved in reproducing measured data. For MLFCs simulations, 2% agreement was found between TOPAS and both sets of experimental measurements. The overall results show that TOPAS simulations are within the clinical accepted tolerances for all QA measurements performed at our institution. Conclusions: Our Monte Carlo simulations reproduced accurately the experimental data acquired through all the measurements performed in this study. Thus, TOPAS can reliably be applied to quality assurance for proton therapy and also as an input for commissioning of commercial treatment planning systems. This work also provides the basis for routine clinical dose calculations in patients for all passive scattering proton therapy centers using TOPAS. PMID:24320505

Numerical Computation of Electric Field and Potential Along Silicone Rubber Insulators Under Contaminated and Dry Band Conditions

NASA Astrophysics Data System (ADS)

Arshad; Nekahi, A.; McMeekin, S. G.; Farzaneh, M.

2016-09-01

Electrical field distribution along the insulator surface is considered one of the important parameters for the performance evaluation of outdoor insulators. In this paper numerical simulations were carried out to investigate the electric field and potential distribution along silicone rubber insulators under various polluted and dry band conditions. Simulations were performed using commercially available simulation package Comsol Multiphysics based on the finite element method. Various pollution severity levels were simulated by changing the conductivity of pollution layer. Dry bands of 2 cm width were inserted at the high voltage end, ground end, middle part, shed, sheath, and at the junction of shed and sheath to investigate the effect of dry band location and width on electric field and potential distribution. Partial pollution conditions were simulated by applying pollution layer on the top and bottom surface respectively. It was observed from the simulation results that electric field intensity was higher at the metal electrode ends and at the junction of dry bands. Simulation results showed that potential distribution is nonlinear in the case of clean and partially polluted insulator and linear for uniform pollution layer. Dry band formation effect both potential and electric field distribution. Power dissipated along the insulator surface and the resultant heat generation was also studied. The results of this study could be useful in the selection of polymeric insulators for contaminated environments.

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

PubMed

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

2017-11-01

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

Baseline performance of solar collectors for NASA Langley solar building test facility

NASA Technical Reports Server (NTRS)

Knoll, R. H.; Johnson, S. M.

1977-01-01

The solar collector field contains seven collector designs. Before operation in the field, the experimental performances (thermal efficiencies) of the seven collector designs were measured in an indoor solar simulator. The resulting data provided a baseline for later comparison with actual field test data. The simulator test results are presented for the collectors as received, and after several weeks of outdoor exposure with no coolant (dry operation). Six of the seven collector designs tested showed substantial reductions in thermal efficiency after dry operation.

Relating Standardized Visual Perception Measures to Simulator Visual System Performance

NASA Technical Reports Server (NTRS)

Kaiser, Mary K.; Sweet, Barbara T.

2013-01-01

Human vision is quantified through the use of standardized clinical vision measurements. These measurements typically include visual acuity (near and far), contrast sensitivity, color vision, stereopsis (a.k.a. stereo acuity), and visual field periphery. Simulator visual system performance is specified in terms such as brightness, contrast, color depth, color gamut, gamma, resolution, and field-of-view. How do these simulator performance characteristics relate to the perceptual experience of the pilot in the simulator? In this paper, visual acuity and contrast sensitivity will be related to simulator visual system resolution, contrast, and dynamic range; similarly, color vision will be related to color depth/color gamut. Finally, we will consider how some characteristics of human vision not typically included in current clinical assessments could be used to better inform simulator requirements (e.g., relating dynamic characteristics of human vision to update rate and other temporal display characteristics).

EHWPACK: An evolvable hardware environment using the SPICE simulator and the Field Programmable Transistor Array

NASA Technical Reports Server (NTRS)

Keymeulen, D.; Klimeck, G.; Zebulum, R.; Stoica, A.; Jin, Y.; Lazaro, C.

2000-01-01

This paper describes the EHW development system, a tool that performs the evolutionary synthesis of electronic circuits, using the SPICE simulator and the Field Programmable Transistor Array hardware (FPTA) developed at JPL.

Advanced simulation and analysis of a geopotential research mission

NASA Technical Reports Server (NTRS)

Schutz, B. E.

1988-01-01

Computer simulations have been performed for an orbital gradiometer mission to assist in the study of high degree and order gravity field recovery. The simulations were conducted for a satellite in near-circular, frozen orbit at a 160-km altitude using a gravitational field complete to degree and order 360. The mission duration is taken to be 32 days. The simulation provides a set of measurements to assist in the evaluation of techniques developed for the determination of the gravity field. Also, the simulation provides an ephemeris to study available tracking systems to satisfy the orbit determination requirements of the mission.

Bridging Class and Field: Field Instructors' and Liaisons' Reactions to Information about Students' Baseline Performance Derived from Simulated Interviews

ERIC Educational Resources Information Center

Bogo, Marion; Lee, Barbara; McKee, Eileen; Ramjattan, Roxanne; Baird, Stephanie L.

2017-01-01

To strengthen students' preparation for engaging in field learning, an innovation was implemented to teach and assess foundation-year students' performance prior to entering field education. An Objective Structured Clinical Examination informed the final evaluation of students' performance in two companion courses on practice theory and skills.…

Scattering effects on the performance of carbon nanotube field effect transistor in a compact model

NASA Astrophysics Data System (ADS)

Hamieh, S. D.; Desgreys, P.; Naviner, J. F.

2010-01-01

Carbon nanotube field-effect transistors (CNTFET) are being extensively studied as possible successors to CMOS. Device simulators have been developed to estimate their performance in sub-10-nm and device structures have been fabricated. In this work, a new compact model of single-walled semiconducting CNTFET is proposed implementing the calculation of energy conduction sub-band minima and the treatment of scattering effects through energy shift in CNTFET. The developed model has been used to simulate I-V characteristics using VHDL-AMS simulator.

Data-Driven Correlation Analysis Between Observed 3D Fatigue-Crack Path and Computed Fields from High-Fidelity, Crystal-Plasticity, Finite-Element Simulations

NASA Astrophysics Data System (ADS)

Pierson, Kyle D.; Hochhalter, Jacob D.; Spear, Ashley D.

2018-05-01

Systematic correlation analysis was performed between simulated micromechanical fields in an uncracked polycrystal and the known path of an eventual fatigue-crack surface based on experimental observation. Concurrent multiscale finite-element simulation of cyclic loading was performed using a high-fidelity representation of grain structure obtained from near-field high-energy x-ray diffraction microscopy measurements. An algorithm was developed to parameterize and systematically correlate the three-dimensional (3D) micromechanical fields from simulation with the 3D fatigue-failure surface from experiment. For comparison, correlation coefficients were also computed between the micromechanical fields and hypothetical, alternative surfaces. The correlation of the fields with hypothetical surfaces was found to be consistently weaker than that with the known crack surface, suggesting that the micromechanical fields of the cyclically loaded, uncracked microstructure might provide some degree of predictiveness for microstructurally small fatigue-crack paths, although the extent of such predictiveness remains to be tested. In general, gradients of the field variables exhibit stronger correlations with crack path than the field variables themselves. Results from the data-driven approach implemented here can be leveraged in future model development for prediction of fatigue-failure surfaces (for example, to facilitate univariate feature selection required by convolution-based models).

Removing systematic errors in interionic potentials of mean force computed in molecular simulations using reaction-field-based electrostatics

PubMed Central

Baumketner, Andrij

2009-01-01

The performance of reaction-field methods to treat electrostatic interactions is tested in simulations of ions solvated in water. The potential of mean force between sodium chloride pair of ions and between side chains of lysine and aspartate are computed using umbrella sampling and molecular dynamics simulations. It is found that in comparison with lattice sum calculations, the charge-group-based approaches to reaction-field treatments produce a large error in the association energy of the ions that exhibits strong systematic dependence on the size of the simulation box. The atom-based implementation of the reaction field is seen to (i) improve the overall quality of the potential of mean force and (ii) remove the dependence on the size of the simulation box. It is suggested that the atom-based truncation be used in reaction-field simulations of mixed media. PMID:19292522

FACTORS INFLUENCING THE DESIGN OF BIOACCUMULATION FACTOR AND BIOTA-SEDIMENT ACCUMULATION FACTOR FIELD STUDIES

EPA Science Inventory

A series of modeling simulations were performed to develop an understanding of the underlying factors and principles involved in developing field sampling designs for measuring bioaccumulation factors (BAFs) and biota-sediment accumulation factors (BSAFs. These simulations reveal...

DKIST Adaptive Optics System: Simulation Results

NASA Astrophysics Data System (ADS)

Marino, Jose; Schmidt, Dirk

2016-05-01

The 4 m class Daniel K. Inouye Solar Telescope (DKIST), currently under construction, will be equipped with an ultra high order solar adaptive optics (AO) system. The requirements and capabilities of such a solar AO system are beyond those of any other solar AO system currently in operation. We must rely on solar AO simulations to estimate and quantify its performance.We present performance estimation results of the DKIST AO system obtained with a new solar AO simulation tool. This simulation tool is a flexible and fast end-to-end solar AO simulator which produces accurate solar AO simulations while taking advantage of current multi-core computer technology. It relies on full imaging simulations of the extended field Shack-Hartmann wavefront sensor (WFS), which directly includes important secondary effects such as field dependent distortions and varying contrast of the WFS sub-aperture images.

Comparison of Large eddy dynamo simulation using dynamic sub-grid scale (SGS) model with a fully resolved direct simulation in a rotating spherical shell

NASA Astrophysics Data System (ADS)

Matsui, H.; Buffett, B. A.

2017-12-01

The flow in the Earth's outer core is expected to have vast length scale from the geometry of the outer core to the thickness of the boundary layer. Because of the limitation of the spatial resolution in the numerical simulations, sub-grid scale (SGS) modeling is required to model the effects of the unresolved field on the large-scale fields. We model the effects of sub-grid scale flow and magnetic field using a dynamic scale similarity model. Four terms are introduced for the momentum flux, heat flux, Lorentz force and magnetic induction. The model was previously used in the convection-driven dynamo in a rotating plane layer and spherical shell using the Finite Element Methods. In the present study, we perform large eddy simulations (LES) using the dynamic scale similarity model. The scale similarity model is implement in Calypso, which is a numerical dynamo model using spherical harmonics expansion. To obtain the SGS terms, the spatial filtering in the horizontal directions is done by taking the convolution of a Gaussian filter expressed in terms of a spherical harmonic expansion, following Jekeli (1981). A Gaussian field is also applied in the radial direction. To verify the present model, we perform a fully resolved direct numerical simulation (DNS) with the truncation of the spherical harmonics L = 255 as a reference. And, we perform unresolved DNS and LES with SGS model on coarser resolution (L= 127, 84, and 63) using the same control parameter as the resolved DNS. We will discuss the verification results by comparison among these simulations and role of small scale fields to large scale fields through the role of the SGS terms in LES.

Intercomparison of Monte Carlo radiation transport codes to model TEPC response in low-energy neutron and gamma-ray fields.

PubMed

Ali, F; Waker, A J; Waller, E J

2014-10-01

Tissue-equivalent proportional counters (TEPC) can potentially be used as a portable and personal dosemeter in mixed neutron and gamma-ray fields, but what hinders this use is their typically large physical size. To formulate compact TEPC designs, the use of a Monte Carlo transport code is necessary to predict the performance of compact designs in these fields. To perform this modelling, three candidate codes were assessed: MCNPX 2.7.E, FLUKA 2011.2 and PHITS 2.24. In each code, benchmark simulations were performed involving the irradiation of a 5-in. TEPC with monoenergetic neutron fields and a 4-in. wall-less TEPC with monoenergetic gamma-ray fields. The frequency and dose mean lineal energies and dose distributions calculated from each code were compared with experimentally determined data. For the neutron benchmark simulations, PHITS produces data closest to the experimental values and for the gamma-ray benchmark simulations, FLUKA yields data closest to the experimentally determined quantities. © The Author 2013. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Macroion solutions in the cell model studied by field theory and Monte Carlo simulations.

PubMed

Lue, Leo; Linse, Per

2011-12-14

Aqueous solutions of charged spherical macroions with variable dielectric permittivity and their associated counterions are examined within the cell model using a field theory and Monte Carlo simulations. The field theory is based on separation of fields into short- and long-wavelength terms, which are subjected to different statistical-mechanical treatments. The simulations were performed by using a new, accurate, and fast algorithm for numerical evaluation of the electrostatic polarization interaction. The field theory provides counterion distributions outside a macroion in good agreement with the simulation results over the full range from weak to strong electrostatic coupling. A low-dielectric macroion leads to a displacement of the counterions away from the macroion. © 2011 American Institute of Physics

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

NASA Astrophysics Data System (ADS)

Cheng, Shengfeng; Wen, Chengyuan; Egorov, Sergei

2015-03-01

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

Magnetic fringe field interference between the quadrupole and corrector magnets in the CSNS/RCS

NASA Astrophysics Data System (ADS)

Yang, Mei; Kang, Wen; Deng, Changdong; Sun, Xianjing; Li, Li; Wu, Xi; Gong, Lingling; Cheng, Da; Zhu, Yingshun; Chen, Fusan

2017-03-01

The Rapid Cycling Synchrotron (RCS) of the China Spallation Neutron Source (CSNS) employs large aperture quadrupole and corrector magnets with small aspect ratios and relatively short iron to iron separations; so the fringe field interference becomes serious which results in integral field strength reduction and extra field harmonics. We have performed 3D magnetic field simulations to investigate the magnetic field interference in the magnet assemblies and made some adjustments on the magnet arrangement. The Fourier analysis is used to quantify the integral gradient reduction and field harmonic changes of the quadrupole magnets. Some magnetic field measurements are undertaken to verify the simulation results. The simulation details and the major results are presented in this paper.

Design of magnetic Circuit Simulation for Curing Device of Anisotropic MRE

NASA Astrophysics Data System (ADS)

Hapipi, N.; Ubaidillah; Mazlan, S. A.; Widodo, P. J.

2018-03-01

The strength of magnetic field during fabrication of magnetorheological elastomer (MRE) plays a crucial role in order to form a pre-structured MRE. So far, gaussmeter were used to determine the magnetic intensity subjected to the MRE during curing. However, the magnetic flux reading through that measurement considered less accurate. Therefore, a simulation should be done to figure out the magnetic flux concentration around the sample. This paper investigates the simulation of magnetic field distribution in a curing device used during curing stage of anisotropic magnetorheological elastomer (MRE). The target in designing the magnetic circuit is to ensure a sufficient and uniform magnetic field to all the MRE surfaces during the curing process. The magnetic circuit design for the curing device was performed using Finite Element Method Magnetic (FEMM) to examine the magnetic flux density distribution in the device. The material selection was first done instantaneously during a magnetic simulation process. Then, the experimental validation of simulation was performed by measuring and comparing the actual flux generated within the specimen type and the one from the FEMM simulation. İt apparent that the data from FEMM simulation shows an agreement with the actual measurement. Furthermore, the FEMM results showed that the magnetic design is able to provide sufficient and uniform magnetic field all over the surfaces of the MRE.

The X-IFU end-to-end simulations performed for the TES array optimization exercise

NASA Astrophysics Data System (ADS)

Peille, Philippe; Wilms, J.; Brand, T.; Cobo, B.; Ceballos, M. T.; Dauser, T.; Smith, S. J.; Barret, D.; den Herder, J. W.; Piro, L.; Barcons, X.; Pointecouteau, E.; Bandler, S.; den Hartog, R.; de Plaa, J.

2015-09-01

The focal plane assembly of the Athena X-ray Integral Field Unit (X-IFU) includes as the baseline an array of ~4000 single size calorimeters based on Transition Edge Sensors (TES). Other sensor array configurations could however be considered, combining TES of different properties (e.g. size). In attempting to improve the X-IFU performance in terms of field of view, count rate performance, and even spectral resolution, two alternative TES array configurations to the baseline have been simulated, each combining a small and a large pixel array. With the X-IFU end-to-end simulator, a sub-sample of the Athena core science goals, selected by the X-IFU science team as potentially driving the optimal TES array configuration, has been simulated for the results to be scientifically assessed and compared. In this contribution, we will describe the simulation set-up for the various array configurations, and highlight some of the results of the test cases simulated.

Large-Eddy Simulation of Wind-Plant Aerodynamics

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

Churchfield, M. J.; Lee, S.; Moriarty, P. J.

In this work, we present results of a large-eddy simulation of the 48 multi-megawatt turbines composing the Lillgrund wind plant. Turbulent inflow wind is created by performing an atmospheric boundary layer precursor simulation, and turbines are modeled using a rotating, variable-speed actuator line representation. The motivation for this work is that few others have done large-eddy simulations of wind plants with a substantial number of turbines, and the methods for carrying out the simulations are varied. We wish to draw upon the strengths of the existing simulations and our growing atmospheric large-eddy simulation capability to create a sound methodology formore » performing this type of simulation. We used the OpenFOAM CFD toolbox to create our solver. The simulated time-averaged power production of the turbines in the plant agrees well with field observations, except with the sixth turbine and beyond in each wind-aligned. The power produced by each of those turbines is overpredicted by 25-40%. A direct comparison between simulated and field data is difficult because we simulate one wind direction with a speed and turbulence intensity characteristic of Lillgrund, but the field observations were taken over a year of varying conditions. The simulation shows the significant 60-70% decrease in the performance of the turbines behind the front row in this plant that has a spacing of 4.3 rotor diameters in this direction. The overall plant efficiency is well predicted. This work shows the importance of using local grid refinement to simultaneously capture the meter-scale details of the turbine wake and the kilometer-scale turbulent atmospheric structures. Although this work illustrates the power of large-eddy simulation in producing a time-accurate solution, it required about one million processor-hours, showing the significant cost of large-eddy simulation.« less

Thin-film designs by simulated annealing

NASA Astrophysics Data System (ADS)

Boudet, T.; Chaton, P.; Herault, L.; Gonon, G.; Jouanet, L.; Keller, P.

1996-11-01

With the increasing power of computers, new methods in synthesis of optical multilayer systems have appeared. Among these, the simulated-annealing algorithm has proved its efficiency in several fields of physics. We propose to show its performances in the field of optical multilayer systems through different filter designs.

Background and imaging simulations for the hard X-ray camera of the MIRAX mission

NASA Astrophysics Data System (ADS)

Castro, M.; Braga, J.; Penacchioni, A.; D'Amico, F.; Sacahui, R.

2016-07-01

We report the results of detailed Monte Carlo simulations of the performance expected both at balloon altitudes and at the probable satellite orbit of a hard X-ray coded-aperture camera being developed for the Monitor e Imageador de RAios X (MIRAX) mission. Based on a thorough mass model of the instrument and detailed specifications of the spectra and angular dependence of the various relevant radiation fields at both the stratospheric and orbital environments, we have used the well-known package GEANT4 to simulate the instrumental background of the camera. We also show simulated images of source fields to be observed and calculated the detailed sensitivity of the instrument in both situations. The results reported here are especially important to researchers in this field considering that we provide important information, not easily found in the literature, on how to prepare input files and calculate crucial instrumental parameters to perform GEANT4 simulations for high-energy astrophysics space experiments.

Phase-Field Modeling of Sigma-Phase Precipitation in 25Cr7Ni4Mo Duplex Stainless Steel

NASA Astrophysics Data System (ADS)

Malik, Amer; Odqvist, Joakim; Höglund, Lars; Hertzman, Staffan; Ågren, John

2017-10-01

Phase-field modeling is used to simulate the formation of sigma phase in a model alloy mimicking a commercial super duplex stainless steel (SDSS) alloy, in order to study precipitation and growth of sigma phase under linear continuous cooling. The so-called Warren-Boettinger-McFadden (WBM) model is used to build the basis of the multiphase and multicomponent phase-field model. The thermodynamic inconsistency at the multiple junctions associated with the multiphase formulation of the WBM model is resolved by means of a numerical Cut-off algorithm. To make realistic simulations, all the kinetic and the thermodynamic quantities are derived from the CALPHAD databases at each numerical time step, using Thermo-Calc and TQ-Interface. The credibility of the phase-field model is verified by comparing the results from the phase-field simulations with the corresponding DICTRA simulations and also with the empirical data. 2D phase-field simulations are performed for three different cooling rates in two different initial microstructures. A simple model for the nucleation of sigma phase is also implemented in the first case. Simulation results show that the precipitation of sigma phase is characterized by the accumulation of Cr and Mo at the austenite-ferrite and the ferrite-ferrite boundaries. Moreover, it is observed that a slow cooling rate promotes the growth of sigma phase, while a higher cooling rate restricts it, eventually preserving the duplex structure in the SDSS alloy. Results from the phase-field simulations are also compared quantitatively with the experiments, performed on a commercial 2507 SDSS alloy. It is found that overall, the predicted morphological features of the transformation and the composition profiles show good conformity with the empirical data.

Deep eutectic solvent formation: a structural view using molecular dynamics simulations with classical force fields

NASA Astrophysics Data System (ADS)

Mainberger, Sebastian; Kindlein, Moritz; Bezold, Franziska; Elts, Ekaterina; Minceva, Mirjana; Briesen, Heiko

2017-06-01

Deep eutectic solvents (DES) have gained a reputation as inexpensive and easy to handle ionic liquid analogues. This work employs molecular dynamics (MD) to simulate a variety of DES. The hydrogen bond acceptor (HBA) choline chloride was paired with the hydrogen bond donors (HBD) glycerol, 1,4-butanediol, and levulinic acid. Levulinic acid was also paired with the zwitterionic HBA betaine. In order to evaluate the reliability of data MD simulations can provide for DES, two force fields were compared: the Merck Molecular Force Field and the General Amber Force Field with two different sets of partial charges for the latter. The force fields were evaluated by comparing available experimental thermodynamic and transport properties against simulated values. Structural analysis was performed on the eutectic systems and compared to non-eutectic compositions. All force fields could be validated against certain experimental properties, but performance varied depending on the system and property in question. While extensive hydrogen bonding was found for all systems, details about the contribution of individual groups strongly varied among force fields. Interaction potentials revealed that HBA-HBA interactions weaken linearly with increasing HBD ratio, while HBD-HBD interactions grew disproportionally in magnitude, which might hint at the eutectic composition of a system.

SPMHD simulations of structure formation

NASA Astrophysics Data System (ADS)

Barnes, David J.; On, Alvina Y. L.; Wu, Kinwah; Kawata, Daisuke

2018-05-01

The intracluster medium of galaxy clusters is permeated by μ {G} magnetic fields. Observations with current and future facilities have the potential to illuminate the role of these magnetic fields play in the astrophysical processes of galaxy clusters. To obtain a greater understanding of how the initial seed fields evolve to the magnetic fields in the intracluster medium requires magnetohydrodynamic simulations. We critically assess the current smoothed particle magnetohydrodynamic (SPMHD) schemes, especially highlighting the impact of a hyperbolic divergence cleaning scheme and artificial resistivity switch on the magnetic field evolution in cosmological simulations of the formation of a galaxy cluster using the N-body/SPMHD code GCMHD++. The impact and performance of the cleaning scheme and two different schemes for the artificial resistivity switch is demonstrated via idealized test cases and cosmological simulations. We demonstrate that the hyperbolic divergence cleaning scheme is effective at suppressing the growth of the numerical divergence error of the magnetic field and should be applied to any SPMHD simulation. Although the artificial resistivity is important in the strong field regime, it can suppress the growth of the magnetic field in the weak field regime, such as galaxy clusters. With sufficient resolution, simulations with divergence cleaning can reproduce observed magnetic fields. We conclude that the cleaning scheme alone is sufficient for galaxy cluster simulations, but our results indicate that the SPMHD scheme must be carefully chosen depending on the regime of the magnetic field.

A fortran program for Monte Carlo simulation of oil-field discovery sequences

USGS Publications Warehouse

Bohling, Geoffrey C.; Davis, J.C.

1993-01-01

We have developed a program for performing Monte Carlo simulation of oil-field discovery histories. A synthetic parent population of fields is generated as a finite sample from a distribution of specified form. The discovery sequence then is simulated by sampling without replacement from this parent population in accordance with a probabilistic discovery process model. The program computes a chi-squared deviation between synthetic and actual discovery sequences as a function of the parameters of the discovery process model, the number of fields in the parent population, and the distributional parameters of the parent population. The program employs the three-parameter log gamma model for the distribution of field sizes and employs a two-parameter discovery process model, allowing the simulation of a wide range of scenarios. ?? 1993.

Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model.

PubMed

Lemkul, Justin A; Roux, Benoît; van der Spoel, David; MacKerell, Alexander D

2015-07-15

Explicit treatment of electronic polarization in empirical force fields used for molecular dynamics simulations represents an important advancement in simulation methodology. A straightforward means of treating electronic polarization in these simulations is the inclusion of Drude oscillators, which are auxiliary, charge-carrying particles bonded to the cores of atoms in the system. The additional degrees of freedom make these simulations more computationally expensive relative to simulations using traditional fixed-charge (additive) force fields. Thus, efficient tools are needed for conducting these simulations. Here, we present the implementation of highly scalable algorithms in the GROMACS simulation package that allow for the simulation of polarizable systems using extended Lagrangian dynamics with a dual Nosé-Hoover thermostat as well as simulations using a full self-consistent field treatment of polarization. The performance of systems of varying size is evaluated, showing that the present code parallelizes efficiently and is the fastest implementation of the extended Lagrangian methods currently available for simulations using the Drude polarizable force field. © 2015 Wiley Periodicals, Inc.

EVALUATION OF THE AGDISP AERIAL SPRAY ALGORITHMS IN THE AGDRIFT MODEL

EPA Science Inventory

A systematic evaluation of the AgDISP algorithms, which simulate off-site drift and deposition of aerially applied pesticides, contained in the AgDRIFT model was performed by comparing model simulations to field-trial data collected by the Spray Drift Task Force. Field-trial data...

Classical force field for hydrofluorocarbon molecular simulations. Application to the study of gas solubility in poly(vinylidene fluoride).

PubMed

Lachet, V; Teuler, J-M; Rousseau, B

2015-01-08

A classical all-atoms force field for molecular simulations of hydrofluorocarbons (HFCs) has been developed. Lennard-Jones force centers plus point charges are used to represent dispersion-repulsion and electrostatic interactions. Parametrization of this force field has been performed iteratively using three target properties of pentafluorobutane: the quantum energy of an isolated molecule, the dielectric constant in the liquid phase, and the compressed liquid density. The accuracy and transferability of this new force field has been demonstrated through the simulation of different thermophysical properties of several fluorinated compounds, showing significant improvements compared to existing models. This new force field has been applied to study solubilities of several gases in poly(vinylidene fluoride) (PVDF) above the melting temperature of this polymer. The solubility of CH4, CO2, H2S, H2, N2, O2, and H2O at infinite dilution has been computed using test particle insertions in the course of a NpT hybrid Monte Carlo simulation. For CH4, CO2, and their mixtures, some calculations beyond the Henry regime have also been performed using hybrid Monte Carlo simulations in the osmotic ensemble, allowing both swelling and solubility determination. An ideal mixing behavior is observed, with identical solubility coefficients in the mixtures and in pure gas systems.

Particle simulations on transport control in divertors

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

Kashiwagi, Mieko; Ido, Shunji

1995-04-01

Particle orbit simulations are carried out to study the reflection of He ions recycled from a tokamak divertor by RF electric fields, which have the frequency close to ion cyclotron resonance frequency (ICRF). The performance of particle reflection and the requirement to the intensity of RF fields are studied. The control of He recycling by ICRF fields is found to be available. 4 refs., 4 figs.

FDTD simulation of field performance in reverberation chamber excited by two excitation antennas

NASA Astrophysics Data System (ADS)

Wang, Song; Wu, Zhan-cheng; Cui, Yao-zhong

2013-03-01

The excitation source is one of the critical items that determine the electromagnetic fields in a reverberation chamber (RC). In order to optimize the electromagnetic fields performance, a new method of exciting RC with two antennas is proposed based on theoretical analysis. The full 3D simulation of RC is carried out by the finite difference time domain (FDTD) method on two excitation conditions of one antenna and two antennas. The broadband response of RC is obtained by fast Fourier transformation (FFT) after only one simulation. Numerical data show that the field uniformity in the test space is improved on the condition of two transmitting antennas while the normalized electric fields decreased slightly compared to the one antenna condition. It is straightforward to recognize that two antennas excitation can reduce the demands on power amplifier as the total input power is split among the two antennas, and consequently the cost of electromagnetic compatibility (EMC) test in large-scale RC can be reduced.

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.

Performance Predictions for Proposed ILS Facilities at St. Louis Municipal Airport

DOT National Transportation Integrated Search

1978-01-01

The results of computer simulations of performance of proposed ILS facilities on Runway 12L/30R at St. Louis Municipal Airport (Lambert Field) are reported. These simulations indicate that an existing industrial complex located near the runway is com...

The use of computers for perioperative simulation in anesthesia, critical care, and pain medicine.

PubMed

Lambden, Simon; Martin, Bruce

2011-09-01

Simulation in perioperative anesthesia training is a field of considerable interest, with an urgent need for tools that reliably train and facilitate objective assessment of performance. This article reviews the available simulation technologies, their evolution, and the current evidence base for their use. The future directions for research in the field and potential applications of simulation technology in anesthesia, critical care, and pain medicine are discussed. Copyright © 2011 Elsevier Inc. All rights reserved.

Phase-field simulation of microstructure formation in technical castings - A self-consistent homoenthalpic approach to the micro-macro problem

NASA Astrophysics Data System (ADS)

Böttger, B.; Eiken, J.; Apel, M.

2009-10-01

Performing microstructure simulation of technical casting processes suffers from the strong interdependency between latent heat release due to local microstructure formation and heat diffusion on the macroscopic scale: local microstructure formation depends on the macroscopic heat fluxes and, in turn, the macroscopic temperature solution depends on the latent heat release, and therefore on the microstructure formation, in all parts of the casting. A self-consistent homoenthalpic approximation to this micro-macro problem is proposed, based on the assumption of a common enthalpy-temperature relation for the whole casting which is used for the description of latent heat production on the macroscale. This enthalpy-temperature relation is iteratively obtained by phase-field simulations on the microscale, thus taking into account the specific morphological impact on the latent heat production. This new approach is discussed and compared to other approximations for the coupling of the macroscopic heat flux to complex microstructure models. Simulations are performed for the binary alloy Al-3at%Cu, using a multiphase-field solidification model which is coupled to a thermodynamic database. Microstructure formation is simulated for several positions in a simple model plate casting, using a one-dimensional macroscopic temperature solver which can be directly coupled to the microscopic phase-field simulation tool.

A divergence-cleaning scheme for cosmological SPMHD simulations

NASA Astrophysics Data System (ADS)

Stasyszyn, F. A.; Dolag, K.; Beck, A. M.

2013-01-01

In magnetohydrodynamics (MHD), the magnetic field is evolved by the induction equation and coupled to the gas dynamics by the Lorentz force. We perform numerical smoothed particle magnetohydrodynamics (SPMHD) simulations and study the influence of a numerical magnetic divergence. For instabilities arising from {nabla }\\cdot {boldsymbol B} related errors, we find the hyperbolic/parabolic cleaning scheme suggested by Dedner et al. to give good results and prevent numerical artefacts from growing. Additionally, we demonstrate that certain current SPMHD implementations of magnetic field regularizations give rise to unphysical instabilities in long-time simulations. We also find this effect when employing Euler potentials (divergenceless by definition), which are not able to follow the winding-up process of magnetic field lines properly. Furthermore, we present cosmological simulations of galaxy cluster formation at extremely high resolution including the evolution of magnetic fields. We show synthetic Faraday rotation maps and derive structure functions to compare them with observations. Comparing all the simulations with and without divergence cleaning, we are able to confirm the results of previous simulations performed with the standard implementation of MHD in SPMHD at normal resolution. However, at extremely high resolution, a cleaning scheme is needed to prevent the growth of numerical {nabla }\\cdot {boldsymbol B} errors at small scales.

Quasi-One-Dimensional Particle-in-Cell Simulation of Magnetic Nozzles

NASA Technical Reports Server (NTRS)

Ebersohn, Frans H.; Sheehan, J. P.; Gallimore, Alec D.; Shebalin, John V.

2015-01-01

A method for the quasi-one-dimensional simulation of magnetic nozzles is presented and simulations of a magnetic nozzle are performed. The effects of the density variation due to plasma expansion and the magnetic field forces on ion acceleration are investigated. Magnetic field forces acting on the electrons are found to be responsible for the formation of potential structures which accelerate ions. The effects of the plasma density variation alone are found to only weakly affect ion acceleration. Strongly diverging magnetic fields drive more rapid potential drops.

Navier-Stokes Simulation of a Heavy Lift Slowed-Rotor Compound Helicopter Configuration

NASA Technical Reports Server (NTRS)

Allan, Brian G.; Jenkins, Luther N.; Yao, Chung-Sheng; Bartram, Scott M.; Hallissy, Jim B.; Harris, Jerome; Noonan, Kevin W.; Wong, Oliver D.; Jones, Henry E.; Malovrh, Brendon D.;

Numerical simulation of large-scale field-aligned current generation from finite-amplitude magnetosonic waves

NASA Technical Reports Server (NTRS)

Yamauchi, M.

1994-01-01

A two-dimensional numerical simulation of finite-amplitude magnetohydrodynamic (MHD) magnetosonic waves is performed under a finite-velocity background convection condition. Isothermal cases are considered for simplicity. External dissipation is introduced by assuming that the field-aligned currents are generated in proportion to the accumulated charges. The simulation results are as follows: Paired field-aligned currents are found from the simulated waves. The flow directions of these field-aligned currents depend on the angle between the background convection and the wave normal, and hence two pairs of field-aligned currents are found from a bowed wave if we look at the overall structure. The majority of these field-aligned currents are closed within each pair rather than between two wings. These features are not observed under slow background convection. The result could be applied to the cusp current system and the substorm current system.

The inception of pulsed discharges in air: simulations in background fields above and below breakdown

NASA Astrophysics Data System (ADS)

Sun, Anbang; Teunissen, Jannis; Ebert, Ute

2014-11-01

We investigate discharge inception in air, in uniform background electric fields above and below the breakdown threshold. We perform 3D particle simulations that include a natural level of background ionization in the form of positive and \\text{O}2- ions. In background fields below breakdown, we use a strongly ionized seed of electrons and positive ions to enhance the field locally. In the region of enhanced field, we observe the growth of positive streamers, as in previous simulations with 2D plasma fluid models. The inclusion of background ionization has little effect in this case. When the background field is above the breakdown threshold, the situation is very different. Electrons can then detach from \\text{O}2- and start ionization avalanches in the whole volume. These avalanches together create one extended discharge, in contrast to the ‘double-headed’ streamers found in many fluid simulations.

Kinetic simulations of the stability of a plasma confined by the magnetic field of a current rod

NASA Astrophysics Data System (ADS)

Tonge, J.; Leboeuf, J. N.; Huang, C.; Dawson, J. M.

2003-09-01

The kinetic stability of a plasma in the magnetic field of a current rod is investigated for various temperature and density profiles using three-dimensional particle-in-cell simulations. Such a plasma obeys similar physics to a plasma in a dipole magnetic field, while it is easier to perform computer simulations, and do theoretical analysis, of a plasma in the field of a current rod. Simple energy principle calculations and simulations with a variety of temperature and density profiles show that the plasma is stable to interchange for pressure profiles proportional to r-10/3. As predicted by theory the simulations also show that the density profile will be stationary as long as density is proportional to r-2 even though the temperature profile may not be stable.

Opening mechanism of adenylate kinase can vary according to selected molecular dynamics force field

NASA Astrophysics Data System (ADS)

Unan, Hulya; Yildirim, Ahmet; Tekpinar, Mustafa

2015-07-01

Adenylate kinase is a widely used test case for many conformational transition studies. It performs a large conformational transition between closed and open conformations while performing its catalytic function. To understand conformational transition mechanism and impact of force field choice on E. Coli adenylate kinase, we performed all-atom explicit solvent classical molecular dynamics simulations starting from the closed conformation with four commonly used force fields, namely, Amber99, Charmm27, Gromos53a6, Opls-aa. We carried out 40 simulations, each one 200 ns. We analyzed completely 12 of them that show full conformational transition from the closed state to the open one. Our study shows that different force fields can have a bias toward different transition pathways. Transition time scales, frequency of conformational transitions, order of domain motions and free energy landscapes of each force field may also vary. In general, Amber99 and Charmm27 behave similarly while Gromos53a6 results have a resemblance to the Opls-aa force field results.

Neutral Buoyancy Simulator - Fluid line repair kit development

NASA Technical Reports Server (NTRS)

1997-01-01

Marshall's Neutral Buoyancy Simulator (NBS) is used to simulate the gravitational fields and buoyancy effects outer space has on astronauts and their ability to perform tasks in this environment. In this example, a diver performs a temporary fluid line repair task using a repair kit developed by Marshall engineers. The analysis will determine the value of this repair kit and its feasibility.

Gain and Bandwidth Enhancement of Ferrite-Loaded CBS Antenna Using Material Shaping and Positioning

NASA Astrophysics Data System (ADS)

Askarian Amiri, Mikal

Loading a cavity-backed slot (CBS) antenna with ferrite material and applying a biasing static magnetic field can be used to control its resonant frequency. Such a mechanism results in a frequency reconfigurable antenna. However, placing a lossy ferrite material inside the cavity can reduce the gain or negatively impact the impedance bandwidth. This thesis develops guidelines, based on a non-uniform applied magnetic field and non-uniform magnetic field internal to the ferrite specimen, for the design of ferrite-loaded CBS antennas which enhance their gain and tunable bandwidth by shaping the ferrite specimen and judiciously locating it within the cavity. To achieve these objectives, it is necessary to examine the influence of the shape and relative location of the ferrite material, and also the proximity of the ferrite specimen from the probe on the DC magnetic field and RF electric field distributions inside the cavity. The geometry of the probe and its impacts on figures-of-merit of the antenna is of interest as well. Two common cavity backed-slot antennas (rectangular and circular cross-section) were designed, and corresponding simulations and measurements were performed and compared. The cavities were mounted on 30 cm × 30 cm perfect electric conductor (PEC) ground planes and partially loaded with ferrite material. The ferrites were biased with an external magnetic field produced by either an electromagnet or permanent magnets. Simulations were performed using FEM-based commercial software, Ansys' Maxwell 3D and HFSS. Maxwell 3D is utilized to model the non-uniform DC applied magnetic field and non-uniform magnetic field internal to the ferrite specimen; HFSS however, is used to simulate and obtain the RF characteristics of the antenna. To validate the simulations they were compared with measurements performed in ASU's EM Anechoic Chamber. After many examinations using simulations and measurements, some optimal designs guidelines with respect to the gain, return loss and tunable impedance bandwidth, were obtained and recommended for ferrite-loaded CBS antennas.

Monte Carlo modeling of the Siemens Optifocus multileaf collimator.

PubMed

Laliena, Victor; García-Romero, Alejandro

2015-05-01

We have developed a new component module for the BEAMnrc software package, called SMLC, which models the tongue-and-groove structure of the Siemens Optifocus multileaf collimator. The ultimate goal is to perform accurate Monte Carlo simulations of the IMRT treatments carried out with Optifocus. SMLC has been validated by direct geometry checks and by comparing quantitatively the results of simulations performed with it and with the component module VARMLC. Measurements and Monte Carlo simulations of absorbed dose distributions of radiation fields sensitive to the tongue-and-groove effect have been performed to tune the free parameters of SMLC. The measurements cannot be accurately reproduced with VARMLC. Finally, simulations of a typical IMRT field showed that SMLC improves the agreement with experimental measurements with respect to VARMLC in clinically relevant cases. 87.55. K. Copyright © 2015 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Human-robot interaction modeling and simulation of supervisory control and situational awareness during field experimentation with military manned and unmanned ground vehicles

NASA Astrophysics Data System (ADS)

Johnson, Tony; Metcalfe, Jason; Brewster, Benjamin; Manteuffel, Christopher; Jaswa, Matthew; Tierney, Terrance

2010-04-01

The proliferation of intelligent systems in today's military demands increased focus on the optimization of human-robot interactions. Traditional studies in this domain involve large-scale field tests that require humans to operate semiautomated systems under varying conditions within military-relevant scenarios. However, provided that adequate constraints are employed, modeling and simulation can be a cost-effective alternative and supplement. The current presentation discusses a simulation effort that was executed in parallel with a field test with Soldiers operating military vehicles in an environment that represented key elements of the true operational context. In this study, "constructive" human operators were designed to represent average Soldiers executing supervisory control over an intelligent ground system. The constructive Soldiers were simulated performing the same tasks as those performed by real Soldiers during a directly analogous field test. Exercising the models in a high-fidelity virtual environment provided predictive results that represented actual performance in certain aspects, such as situational awareness, but diverged in others. These findings largely reflected the quality of modeling assumptions used to design behaviors and the quality of information available on which to articulate principles of operation. Ultimately, predictive analyses partially supported expectations, with deficiencies explicable via Soldier surveys, experimenter observations, and previously-identified knowledge gaps.

A simple, inexpensive, and field-relevant microcosm tidal simulator for use in marsh macrophyte studies1

PubMed Central

MacTavish, Rachel M.; Cohen, Risa A.

2014-01-01

• Premise of the study: A microcosm unit with tidal simulation was developed to address the challenge of maintaining ecologically relevant tidal regimes while performing controlled greenhouse experiments on smooth cordgrass, Spartina alterniflora. • Methods and Results: We designed a simple, inexpensive, easily replicated microcosm unit with tidal simulation and tested whether S. alterniflora growth in microcosms with tidal simulation was similar to that of tidally influenced plants in the field on Sapelo Island, Georgia. After three months of exposure to either natural or simulated tidal treatment, plants in microcosms receiving tidal simulation had similar stem density, height, and above- and belowground biomass to plants in field plots. • Conclusions: The tidal simulator developed may provide an inexpensive, effective method for conducting studies on S. alterniflora and other tidally influenced plants in controlled settings to be used not only to complement field studies, but also in locations without coastal access. PMID:25383265

Individual Characteristics and Unit Performance: A Review of Research and Methods

DTIC Science & Technology

1985-02-01

behavioral segments, improves performance. Simu- lation exercises , especially those employing new high-technology devices, provide surrogate...high-technology training simulation exercise MOB Military Occupational Specialty ORTT Operational Readiness Training Test-a field test REALTRAIN A...REAListic TRAINing simulation exercise SAM Surface-to-Air Missile SAT Scholastic Aptitude Test SQT Skill Qualification Test-an Army performance meas

Simulation of optically pumped intersubband laser in magnetic field

NASA Astrophysics Data System (ADS)

Erić, Marko; Milanović, Vitomir; Ikonić, Zoran; Indjin, Dragan

2007-06-01

Simulations of an optically pumped intersubband laser in magnetic field up to 60 T are performed within the steady-state rate equations model. The electron-polar optical phonon scattering is calculated using the confined and interface phonon model. A strong oscillatory optical gain vs. magnetic field dependence is found, with two dominant gain peaks occurring at 20 and 40 T, the fields which bring appropriate states into resonance with optical phonons and thus open additional relaxation paths. The peak at 20 T exceeds the value of gain achieved at zero field.

A case study of the Weather Research and Forecasting model applied to the Joint Urban 2003 tracer field experiment. Part 2: Gas tracer dispersion

DOE PAGES

Nelson, Matthew A.; Brown, Michael J.; Halverson, Scot A.; ...

2016-07-28

Here, the Quick Urban & Industrial Complex (QUIC) atmospheric transport, and dispersion modelling, system was evaluated against the Joint Urban 2003 tracer-gas measurements. This was done using the wind and turbulence fields computed by the Weather Research and Forecasting (WRF) model. We compare the simulated and observed plume transport when using WRF-model-simulated wind fields, and local on-site wind measurements. Degradation of the WRF-model-based plume simulations was cased by errors in the simulated wind direction, and limitations in reproducing the small-scale wind-field variability. We explore two methods for importing turbulence from the WRF model simulations into the QUIC system. The firstmore » method uses parametrized turbulence profiles computed from WRF-model-computed boundary-layer similarity parameters; and the second method directly imports turbulent kinetic energy from the WRF model. Using the WRF model’s Mellor-Yamada-Janjic boundary-layer scheme, the parametrized turbulence profiles and the direct import of turbulent kinetic energy were found to overpredict and underpredict the observed turbulence quantities, respectively. Near-source building effects were found to propagate several km downwind. These building effects and the temporal/spatial variations in the observed wind field were often found to have a stronger influence over the lateral and vertical plume spread than the intensity of turbulence. Correcting the WRF model wind directions using a single observational location improved the performance of the WRF-model-based simulations, but using the spatially-varying flow fields generated from multiple observation profiles generally provided the best performance.« less

A case study of the Weather Research and Forecasting model applied to the Joint Urban 2003 tracer field experiment. Part 2: Gas tracer dispersion

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

Nelson, Matthew A.; Brown, Michael J.; Halverson, Scot A.

Here, the Quick Urban & Industrial Complex (QUIC) atmospheric transport, and dispersion modelling, system was evaluated against the Joint Urban 2003 tracer-gas measurements. This was done using the wind and turbulence fields computed by the Weather Research and Forecasting (WRF) model. We compare the simulated and observed plume transport when using WRF-model-simulated wind fields, and local on-site wind measurements. Degradation of the WRF-model-based plume simulations was cased by errors in the simulated wind direction, and limitations in reproducing the small-scale wind-field variability. We explore two methods for importing turbulence from the WRF model simulations into the QUIC system. The firstmore » method uses parametrized turbulence profiles computed from WRF-model-computed boundary-layer similarity parameters; and the second method directly imports turbulent kinetic energy from the WRF model. Using the WRF model’s Mellor-Yamada-Janjic boundary-layer scheme, the parametrized turbulence profiles and the direct import of turbulent kinetic energy were found to overpredict and underpredict the observed turbulence quantities, respectively. Near-source building effects were found to propagate several km downwind. These building effects and the temporal/spatial variations in the observed wind field were often found to have a stronger influence over the lateral and vertical plume spread than the intensity of turbulence. Correcting the WRF model wind directions using a single observational location improved the performance of the WRF-model-based simulations, but using the spatially-varying flow fields generated from multiple observation profiles generally provided the best performance.« less

THE EFFECT OF ANISOTROPIC VISCOSITY ON COLD FRONTS IN GALAXY CLUSTERS

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

ZuHone, J. A.; Markevitch, M.; Kunz, M. W.

2015-01-10

Cold fronts—contact discontinuities in the intracluster medium (ICM) of galaxy clusters—should be disrupted by Kelvin-Helmholtz (K-H) instabilities due to the associated shear velocity. However, many observed cold fronts appear stable. This opens the possibility of placing constraints on microphysical mechanisms that stabilize them, such as the ICM viscosity and/or magnetic fields. We performed exploratory high-resolution simulations of cold fronts arising from subsonic gas sloshing in cluster cores using the grid-based Athena MHD code, comparing the effects of isotropic Spitzer and anisotropic Braginskii viscosity (expected in a magnetized plasma). Magnetized simulations with full Braginskii viscosity or isotropic Spitzer viscosity reduced bymore » a factor f ∼ 0.1 are both in qualitative agreement with observations in terms of suppressing K-H instabilities. The rms velocity of turbulence within the sloshing region is only modestly reduced by Braginskii viscosity. We also performed unmagnetized simulations with and without viscosity and find that magnetic fields have a substantial effect on the appearance of the cold fronts, even if the initial field is weak and the viscosity is the same. This suggests that determining the dominant suppression mechanism of a given cold front from X-ray observations (e.g., viscosity or magnetic fields) by comparison with simulations is not straightforward. Finally, we performed simulations including anisotropic thermal conduction, and find that including Braginskii viscosity in these simulations does not significantly affect the evolution of cold fronts; they are rapidly smeared out by thermal conduction, as in the inviscid case.« less

Poster — Thur Eve — 47: Monte Carlo Simulation of Scp, Sc and Sp

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

Zhan, Lixin; Jiang, Runqing; Osei, Ernest K.

The in-water output ratio (Scp), in-air output ratio (Sc), and phantom scattering factor (Sp) are important parameters for radiotherapy dose calculation. Experimentally, Scp is obtained by measuring the dose rate ratio in water phantom, and Sc the water Kerma rate ratio in air. There is no method that allows direct measurement of Sp. Monte Carlo (MC) method has been used to simulate Scp and Sc in literatures, similar to experimental setup, but no MC direct simulation of Sp available yet to the best of our knowledge. We propose in this report a method of performing direct MC simulation of Sp.more » Starting from the definition, we derived that Sp of a clinical photon beam can be approximated by the ratio of the dose rates contributed from the primary beam for a given field size to the reference field size. Since only the primary beam is used, any Linac head scattering should be excluded from the simulation, which can be realized by using the incident electron as a scoring parameter for MU. We performed MC simulations for Scp, Sc and Sp. Scp matches well with golden beam data. Sp obtained by the proposed method agrees well with what is obtained using the traditional method, Sp=Scp/Sc. Since the smaller the field size, the more the primary beam dominates, our Sp simulation method is accurate for small field. By analyzing the calculated data, we found that this method can be used with no problem for large fields. The difference it introduced is clinically insignificant.« less

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

Tucker, Eric; Boreman, Glenn, E-mail: gboreman@uncc.edu; D'Archangel, Jeffrey

Near- and far-field measurements of phase-ramped loop and patch structures are presented and compared to simulations. The far-field deflection measurements show that the phase-ramped structures can deflect a beam away from specular reflection, consistent with simulations. Scattering scanning near-field optical microscopy of the elements comprising the phase ramped structures reveals part of the underlying near-field phase contribution that dictates the far-field deflection, which correlates with the far-field phase behavior that was expected. These measurements provide insight into the resonances, coupling, and spatial phase variation among phase-ramped frequency selective surface (FSS) elements, which are important for the performance of FSS reflectarrays.

Parameterization of Ca+2-protein interactions for molecular dynamics simulations.

PubMed

Project, Elad; Nachliel, Esther; Gutman, Menachem

2008-05-01

Molecular dynamics simulations of Ca+2 ions near protein were performed with three force fields: GROMOS96, OPLS-AA, and CHARMM22. The simulations reveal major, force-field dependent, inconsistencies in the interaction between the Ca+2 ions with the protein. The variations are attributed to the nonbonded parameterizations of the Ca+2-carboxylates interactions. The simulations results were compared to experimental data, using the Ca+2-HCOO- equilibrium as a model. The OPLS-AA force field grossly overestimates the binding affinity of the Ca+2 ions to the carboxylate whereas the GROMOS96 and CHARMM22 force fields underestimate the stability of the complex. Optimization of the Lennard-Jones parameters for the Ca+2-carboxylate interactions were carried out, yielding new parameters which reproduce experimental data. Copyright 2007 Wiley Periodicals, Inc.

Near-field diffraction from amplitude diffraction gratings: theory, simulation and results

NASA Astrophysics Data System (ADS)

Abedin, Kazi Monowar; Rahman, S. M. Mujibur

2017-08-01

We describe a computer simulation method by which the complete near-field diffract pattern of an amplitude diffraction grating can be generated. The technique uses the method of iterative Fresnel integrals to calculate and generate the diffraction images. Theoretical background as well as the techniques to perform the simulation is described. The program is written in MATLAB, and can be implemented in any ordinary PC. Examples of simulated diffraction images are presented and discussed. The generated images in the far-field where they reduce to Fraunhofer diffraction pattern are also presented for a realistic grating, and compared with the results predicted by the grating equation, which is applicable in the far-field. The method can be used as a tool to teach the complex phenomenon of diffraction in classrooms.

Workflow for Integrating Mesoscale Heterogeneities in Materials Structure with Process Simulation of Titanium Alloys (Postprint)

DTIC Science & Technology

2014-10-01

offer a practical solution to calculating the grain -scale hetero- geneity present in the deformation field. Consequently, crystal plasticity models...process/performance simulation codes (e.g., crystal plasticity finite element method). 15. SUBJECT TERMS ICME; microstructure informatics; higher...iii) protocols for direct and efficient linking of materials models/databases into process/performance simulation codes (e.g., crystal plasticity

Radiation dominated acoustophoresis driven by surface acoustic waves.

PubMed

Guo, Jinhong; Kang, Yuejun; Ai, Ye

2015-10-01

Acoustophoresis-based particle manipulation in microfluidics has gained increasing attention in recent years. Despite the fact that experimental studies have been extensively performed to demonstrate this technique for various microfluidic applications, numerical simulation of acoustophoresis driven by surface acoustic waves (SAWs) has still been largely unexplored. In this work, a numerical model taking into account the acoustic-piezoelectric interaction was developed to simulate the generation of a standing surface acoustic wave (SSAW) field and predict the acoustic pressure field in the liquid. Acoustic radiation dominated particle tracing was performed to simulate acoustophoresis of particles with different sizes undergoing a SSAW field. A microfluidic device composed of two interdigital transducers (IDTs) for SAW generation and a microfluidic channel was fabricated for experimental validation. Numerical simulations could well capture the focusing phenomenon of particles to the pressure nodes in the experimental observation. Further comparison of particle trajectories demonstrated considerably quantitative agreement between numerical simulations and experimental results with fitting in the applied voltage. Particle switching was also demonstrated using the fabricated device that could be further developed as an active particle sorting device. Copyright © 2015 Elsevier Inc. All rights reserved.

Phase-field modeling of liquids splitting between separating surfaces and its application to high-resolution roll-based printing technologies

NASA Astrophysics Data System (ADS)

Hizir, F. E.; Hardt, D. E.

2017-05-01

An in-depth understanding of the liquid transport in roll-based printing systems is essential for advancing the roll-based printing technology and enhancing the performance of the printed products. In this study, phase-field simulations are performed to characterize the liquid transport in roll-based printing systems, and the phase-field method is shown to be an effective tool to simulate the liquid transport. In the phase-field simulations, the liquid transport through the ink transfer rollers is approximated as the stretching and splitting of liquid bridges with pinned or moving contact lines between vertically separating surfaces. First, the effect of the phase-field parameters and the mesh characteristics on the simulation results is examined. The simulation results show that a sharp interface limit is approached as the capillary width decreases while keeping the mobility proportional to the capillary width squared. Close to the sharp interface limit, the mobility changes over a specified range are observed to have no significant influence on the simulation results. Next, the ink transfer from the cells on the surface of an ink-metering roller to the surface of stamp features is simulated. Under negligible inertial effects and in the absence of gravity, the amount of liquid ink transferred from an axisymmetric cell with low surface wettability to a stamp with high surface wettability is found to increase as the cell sidewall steepness and the cell surface wettability decrease and the stamp surface wettability and the capillary number increase. Strategies for improving the resolution and quality of roll-based printing are derived based on an analysis of the simulation results. The application of novel materials that contain cells with irregular surface topography to stamp inking in high-resolution roll-based printing is assessed.

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.

Design and simulation of novel flow field plate geometry for proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Ruan, Hanxia; Wu, Chaoqun; Liu, Shuliang; Chen, Tao

2016-10-01

Bipolar plate is one of the many important components of proton exchange membrane fuel cell (PEMFC) stacks as it supplies fuel and oxidant to the membrane-electrode assembly (MEA), removes water, collects produced current and provides mechanical support for the single cells in the stack. The flow field design of a bipolar plate greatly affects the performance of a PEMFC. It must uniformly distribute the reactant gases over the MEA and prevent product water flooding. This paper aims at improving the fuel cell performance by optimizing flow field designs and flow channel configurations. To achieve this, a novel biomimetic flow channel for flow field designs is proposed based on Murray's Law. Computational fluid dynamics based simulations were performed to compare three different designs (parallel, serpentine and biomimetic channel, respectively) in terms of current density distribution, power density distribution, pressure distribution, temperature distribution, and hydrogen mass fraction distribution. It was found that flow field designs with biomimetic flow channel perform better than that with convectional flow channel under the same operating conditions.

Design and fabrication of a magnetic propulsion system for self-propelled capsule endoscope.

PubMed

Gao, Mingyuan; Hu, Chengzhi; Chen, Zhenzhi; Zhang, Honghai; Liu, Sheng

2010-12-01

This paper investigates design, modeling, simulation, and control issues related to self-propelled endoscopic capsule navigated inside the human body through external magnetic fields. A novel magnetic propulsion system is proposed and fabricated, which has great potential of being used in the field of noninvasive gastrointestinal endoscopy. Magnetic-analysis model is established and finite-element simulations as well as orthogonal design are performed for obtaining optimized mechanical and control parameters for generating appropriate external magnetic field. Simulated intestinal tract experiments are conducted, demonstrating controllable movement of the capsule under the developed magnetic propulsion system.

Gyrokinetic continuum simulation of turbulence in a straight open-field-line plasma

DOE PAGES

Shi, E. L.; Hammett, G. W.; Stoltzfus-Dueck, T.; ...

2017-05-29

Here, five-dimensional gyrokinetic continuum simulations of electrostatic plasma turbulence in a straight, open-field-line geometry have been performed using a full- discontinuous-Galerkin approach implemented in the Gkeyll code. While various simplifications have been used for now, such as long-wavelength approximations in the gyrokinetic Poisson equation and the Hamiltonian, these simulations include the basic elements of a fusion-device scrape-off layer: localised sources to model plasma outflow from the core, cross-field turbulent transport, parallel flow along magnetic field lines, and parallel losses at the limiter or divertor with sheath-model boundary conditions. The set of sheath-model boundary conditions used in the model allows currentsmore » to flow through the walls. In addition to details of the numerical approach, results from numerical simulations of turbulence in the Large Plasma Device, a linear device featuring straight magnetic field lines, are presented.« less

The use of MR B+1 imaging for validation of FDTD electromagnetic simulations of human anatomies.

PubMed

Van den Berg, Cornelis A T; Bartels, Lambertus W; van den Bergen, Bob; Kroeze, Hugo; de Leeuw, Astrid A C; Van de Kamer, Jeroen B; Lagendijk, Jan J W

2006-10-07

In this study, MR B(+)(1) imaging is employed to experimentally verify the validity of FDTD simulations of electromagnetic field patterns in human anatomies. Measurements and FDTD simulations of the B(+)(1) field induced by a 3 T MR body coil in a human corpse were performed. It was found that MR B(+)(1) imaging is a sensitive method to measure the radiofrequency (RF) magnetic field inside a human anatomy with a precision of approximately 3.5%. A good correlation was found between the B(+)(1) measurements and FDTD simulations. The measured B(+)(1) pattern for a human pelvis consisted of a global, diagonal modulation pattern plus local B(+)(1) heterogeneties. It is believed that these local B(+)(1) field variations are the result of peaks in the induced electric currents, which could not be resolved by the FDTD simulations on a 5 mm(3) simulation grid. The findings from this study demonstrate that B(+)(1) imaging is a valuable experimental technique to gain more knowledge about the dielectric interaction of RF fields with the human anatomy.

Simulation of nonlinear superconducting rf losses derived from characteristic topography of etched and electropolished niobium surfaces

DOE PAGES

Xu, Chen; Reece, Charles E.; Kelley, Michael J.

2016-03-22

A simplified numerical model has been developed to simulate nonlinear superconducting radiofrequency (SRF) losses on Nb surfaces. This study focuses exclusively on excessive surface resistance (R s) losses due to the microscopic topographical magnetic field enhancements. When the enhanced local surface magnetic field exceeds the superconducting critical transition magnetic field H c, small volumes of surface material may become normal conducting and increase the effective surface resistance without inducing a quench. We seek to build an improved quantitative characterization of this qualitative model. Using topographic data from typical buffered chemical polish (BCP)- and electropolish (EP)-treated fine grain niobium, we havemore » estimated the resulting field-dependent losses and extrapolated this model to the implications for cavity performance. The model predictions correspond well to the characteristic BCP versus EP high field Q 0 performance differences for fine grain niobium. Lastly, we describe the algorithm of the model, its limitations, and the effects of this nonlinear loss contribution on SRF cavity performance.« less

Optical performance considerations for analysis and simulation of power tower plants

NASA Astrophysics Data System (ADS)

Pidaparthi, Arvind; Landman, Willem; Hoffmann, Jaap; Dinter, Frank

2017-06-01

South Africa has implemented a `time of day' tariff structure for concentrating solar power plants in the Renewable Energy Independent Power Producer Procurement Programme. It is hypothesised that payment allocation factors for the `time of day' and the `time of use' dispatch schedule influence the optimal heliostat field layout. SolarPILOT software is used to generate and optimize the heliostat field layout of a 100 MWe power tower plant in Upington, South Africa with 8 hours of thermal energy storage in the SunShot scenario with a high receiver thermal efficiency of 90%. A large size heliostat with a total area of 115.56 m2 and an external cylindrical receiver are considered for the heliostat field layout. A subset of 12 days is simulated on an hourly basis to achieve convergence and to take seasonal, daily and hourly weather variability into account. During the optimization of a heliostat field layout, the heliostats are ranked and selected according to a performance metric. In this study, two field layouts are compared based on two different performance metrics, namely: power delivered to the receiver and the time of use weighted power. The optical performance is simulated using both the Hermite (analytical) and the Monte-Carlo Ray-Tracing methods. By accounting for the TOU weighted power, it is found that the LCOE increases from 0.1831 /kWh to 0.1870 /kWh using the Hermite (analytical) method. Similarly, when MCRT techniques are used for the optical characterization, the LCOE value increases from 0.1781 /kWh to 0.1832 /kWh. It is recommended that payment allocation factors and the tariff structure for the time of day be included when comparing field layouts with other layout generation and optimization strategies. This study will be useful for power tower developers in identifying practices to be included in the optical characterization of their heliostat field layouts for better simulation results.

Comparison of Full and Partial Admission Flow Fields in the Simplex Turbine

NASA Technical Reports Server (NTRS)

Dorney, Daniel J.; Griffin, Lisa W.; Sondak, Douglas L.

2001-01-01

The objectives of this project were to: (1) determine the effects of partial admission flow on rotor performance as a function of circumferential location and on unsteady rotor loading; and (2) Provide an efficient technique for determining turbine performance. Full admission simulation ws performed for the Simplex turbine and partial admission simulation is underway for the Simplex turbine.

Convergence of highly parallel stray field calculation using the fast multipole method on irregular meshes

NASA Astrophysics Data System (ADS)

Palmesi, P.; Abert, C.; Bruckner, F.; Suess, D.

2018-05-01

Fast stray field calculation is commonly considered of great importance for micromagnetic simulations, since it is the most time consuming part of the simulation. The Fast Multipole Method (FMM) has displayed linear O(N) parallelization behavior on many cores. This article investigates the error of a recent FMM approach approximating sources using linear—instead of constant—finite elements in the singular integral for calculating the stray field and the corresponding potential. After measuring performance in an earlier manuscript, this manuscript investigates the convergence of the relative L2 error for several FMM simulation parameters. Various scenarios either calculating the stray field directly or via potential are discussed.

Modelling the future distribution of ammonium nitrate concentrations in The Netherlands for 2020: The sensitivity to meteorological parameters

NASA Astrophysics Data System (ADS)

Williams, J. E.; van der Swaluw, E.; de Vries, W. J.; Sauter, F. J.; van Pul, W. A. J.; Hoogerbrugge, R.

2015-08-01

We present a parameterization developed to simulate Ammonium particle (NH4+) concentrations in the Operational Priority Substances (OPS) source-receptor model, without the necessity of using a detailed chemical scheme. By using the ratios of the main pre-cursor gases SO2, NO2 and NH3, and utilising calculations performed using a chemical box-model, we show that the parameterization can simulate annual mean NH4+ concentration fields to within ∼15% of measured values at locations throughout the Netherlands. Performing simulations for different decades, we find a strong correlation of simulated NH4+ distributions for both past (1993-1995) and present (2009-2012) time periods. Although the total concentration of NH4+ has decreased over the period, we find that the fraction of NH4+ transported into the Netherlands has increased from around 40% in the past to 50% for present-day. This is due to the variable efficiency of mitigation practises across economic sectors. Performing simulations for the year 2020 using associated emission estimates, we show that there are generally decreases of ∼8-25% compared to present day concentrations. By altering the meteorological fields applied in the future simulations, we show that a significant uncertainty of between ∼50 and 100% exists on this estimated NH4+ distribution as a result of variability in the temperature dependent emission terms and relative humidity. Therefore, any projections of future NH4+ distributions should be performed using well chosen meteorological fields representing recent meteorological situations.

Older Adult Multitasking Performance Using a Gaze-Contingent Useful Field of View.

PubMed

Ward, Nathan; Gaspar, John G; Neider, Mark B; Crowell, James; Carbonari, Ronald; Kaczmarski, Hank; Ringer, Ryan V; Johnson, Aaron P; Loschky, Lester C; Kramer, Arthur F

2018-03-01

Objective We implemented a gaze-contingent useful field of view paradigm to examine older adult multitasking performance in a simulated driving environment. Background Multitasking refers to the ability to manage multiple simultaneous streams of information. Recent work suggests that multitasking declines with age, yet the mechanisms supporting these declines are still debated. One possible framework to better understand this phenomenon is the useful field of view, or the area in the visual field where information can be attended and processed. In particular, the useful field of view allows for the discrimination of two competing theories of real-time multitasking, a general interference account and a tunneling account. Methods Twenty-five older adult subjects completed a useful field of view task that involved discriminating the orientation of lines in gaze-contingent Gabor patches appearing at varying eccentricities (based on distance from the fovea) as they operated a vehicle in a driving simulator. In half of the driving scenarios, subjects also completed an auditory two-back task to manipulate cognitive workload, and during some trials, wind was introduced as a means to alter general driving difficulty. Results Consistent with prior work, indices of driving performance were sensitive to both wind and workload. Interestingly, we also observed a decline in Gabor patch discrimination accuracy under high cognitive workload regardless of eccentricity, which provides support for a general interference account of multitasking. Conclusion The results showed that our gaze-contingent useful field of view paradigm was able to successfully examine older adult multitasking performance in a simulated driving environment. Application This study represents the first attempt to successfully measure dynamic changes in the useful field of view for older adults completing a multitasking scenario involving driving.

The atomic simulation environment-a Python library for working with atoms.

PubMed

Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob; Castelli, Ivano E; Christensen, Rune; Dułak, Marcin; Friis, Jesper; Groves, Michael N; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D; Jennings, Paul C; Bjerre Jensen, Peter; Kermode, James; Kitchin, John R; Leonhard Kolsbjerg, Esben; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Bergmann Maronsson, Jón; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten W

2017-07-12

The atomic simulation environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations. In ASE, tasks are fully scripted in Python. The powerful syntax of Python combined with the NumPy array library make it possible to perform very complex simulation tasks. For example, a sequence of calculations may be performed with the use of a simple 'for-loop' construction. Calculations of energy, forces, stresses and other quantities are performed through interfaces to many external electronic structure codes or force fields using a uniform interface. On top of this calculator interface, ASE provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.

The atomic simulation environment—a Python library for working with atoms

NASA Astrophysics Data System (ADS)

Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob; Castelli, Ivano E.; Christensen, Rune; Dułak, Marcin; Friis, Jesper; Groves, Michael N.; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D.; Jennings, Paul C.; Bjerre Jensen, Peter; Kermode, James; Kitchin, John R.; Leonhard Kolsbjerg, Esben; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Bergmann Maronsson, Jón; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S.; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten W.

2017-07-01

The atomic simulation environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations. In ASE, tasks are fully scripted in Python. The powerful syntax of Python combined with the NumPy array library make it possible to perform very complex simulation tasks. For example, a sequence of calculations may be performed with the use of a simple ‘for-loop’ construction. Calculations of energy, forces, stresses and other quantities are performed through interfaces to many external electronic structure codes or force fields using a uniform interface. On top of this calculator interface, ASE provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.

Visualizing staggered fields and analyzing electromagnetic data with PerceptEM

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

Shasharina, Svetlana

This project resulted in VSimSP: a software for simulating large photonic devices of high-performance computers. It includes: GUI for Photonics Simulations; High-Performance Meshing Algorithm; 2d Order Multimaterials Algorithm; Mode Solver for Waveguides; 2d Order Material Dispersion Algorithm; S Parameters Calculation; High-Performance Workflow at NERSC ; and Large Photonic Devices Simulation Setups We believe we became the only company in the world which can simulate large photonics devices in 3D on modern supercomputers without the need to split them into subparts or do low-fidelity modeling. We started commercial engagement with a manufacturing company.

Molecular dynamics simulations of highly crowded amino acid solutions: comparisons of eight different force field combinations with experiment and with each other

PubMed Central

Andrews, Casey T.

2013-01-01

Although it is now commonly accepted that the highly crowded conditions encountered inside biological cells have the potential to significantly alter the thermodynamic properties of biomolecules, it is not known to what extent the thermodynamics of fundamental types of interactions such as salt bridges and hydrophobic interactions are strengthened or weakened by high biomolecular concentrations. As one way of addressing this question we have performed a series of all-atom explicit solvent molecular dynamics (MD) simulations to investigate the effect of increasing solute concentration on the behavior of four types of zwitterionic amino acids in aqueous solution. We have simulated systems containing glycine, valine, phenylalanine or asparagine at concentrations of 50, 100, 200 and 300 mg/ml. Each molecular system has been simulated for 1 μs in order to obtain statistically converged estimates of thermodynamic parameters, and each has been conducted with 8 different force fields and water models; the combined simulation time is 128 μs. The density, viscosity, and dielectric increments of the four amino acids calculated from the simulations have been compared to corresponding experimental measurements. While all of the force fields perform well at reproducing the density increments, discrepancies for the viscosity and dielectric increments raise questions both about the accuracy of the simulation force fields and, in certain cases, the experimental data. We also observe large differences between the various force fields' descriptions of the interaction thermodynamics of salt bridges and, surprisingly, these differences also lead to qualitatively different predictions of their dependences on solute concentration. For the aliphatic interactions of valine sidechains, fewer differences are observed between the force fields, but significant differences are again observed for aromatic interactions of phenylalanine sidechains. Taken together, the results highlight the potential power of using explicit-solvent simulation methods to understand behavior in concentrated systems but also hint at potential difficulties in using these methods to obtain consistent views of behavior in intracellular environments. PMID:24409104

Robust state preparation in quantum simulations of Dirac dynamics

NASA Astrophysics Data System (ADS)

Song, Xue-Ke; Deng, Fu-Guo; Lamata, Lucas; Muga, J. G.

2017-02-01

A nonrelativistic system such as an ultracold trapped ion may perform a quantum simulation of a Dirac equation dynamics under specific conditions. The resulting Hamiltonian and dynamics are highly controllable, but the coupling between momentum and internal levels poses some difficulties to manipulate the internal states accurately in wave packets. We use invariants of motion to inverse engineer robust population inversion processes with a homogeneous, time-dependent simulated electric field. This exemplifies the usefulness of inverse-engineering techniques to improve the performance of quantum simulation protocols.

Phase field benchmark problems for dendritic growth and linear elasticity

DOE PAGES

Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.; ...

2018-03-26

We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem formore » solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.« less

Phase field benchmark problems for dendritic growth and linear elasticity

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

Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.

We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem formore » solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.« less

Methodology and application of high performance electrostatic field simulation in the KATRIN experiment

NASA Astrophysics Data System (ADS)

Corona, Thomas

The Karlsruhe Tritium Neutrino (KATRIN) experiment is a tritium beta decay experiment designed to make a direct, model independent measurement of the electron neutrino mass. The experimental apparatus employs strong ( O[T]) magnetostatic and (O[10 5 V/m]) electrostatic fields in regions of ultra high (O[10-11 mbar]) vacuum in order to obtain precise measurements of the electron energy spectrum near the endpoint of tritium beta-decay. The electrostatic fields in KATRIN are formed by multiscale electrode geometries, necessitating the development of high performance field simulation software. To this end, we present a Boundary Element Method (BEM) with analytic boundary integral terms in conjunction with the Robin Hood linear algebraic solver, a nonstationary successive subspace correction (SSC) method. We describe an implementation of these techniques for high performance computing environments in the software KEMField, along with the geometry modeling and discretization software KGeoBag. We detail the application of KEMField and KGeoBag to KATRIN's spectrometer and detector sections, and demonstrate its use in furthering several of KATRIN's scientific goals. Finally, we present the results of a measurement designed to probe the electrostatic profile of KATRIN's main spectrometer in comparison to simulated results.

Dynamic simulations of under-rib convection-driven flow-field configurations and comparison with experiment in polymer electrolyte membrane fuel cells

NASA Astrophysics Data System (ADS)

Duy, Vinh Nguyen; Lee, Jungkoo; Kim, Kyungcheol; Ahn, Jiwoong; Park, Seongho; Kim, Taeeun; Kim, Hyung-Man

2015-10-01

The under-rib convection-driven flow-field design for the uniform distribution of reacting gas and the generation of produced water generates broad scientific interest, especially among those who study the performance of polymer electrolyte membrane fuel cells (PEMFCs). In this study, we simulate the effects of an under-rib convection-driven serpentine flow-field with sub-channel and by-pass (SFFSB) and a conventional advanced serpentine flow-field (CASFF) on single cell performance, and we compare the simulation results with experimental measurements. In the under-rib convection-driven flow-field configuration with SFFSB, the pressure drop is decreased because of the greater cross-sectional area for gas flow, and the decreased pressure drop results in the reduction of the parasitic loss. The anode liquid water mass fraction increases with increasing channel height because of increased back diffusion, while the cathode liquid water mass fraction does not depend upon the sub-channels but is ascribed mainly to the electro-osmotic drag. Simulation results verify that the maximum current and the power densities of the SFFSB are increased by 18.85% and 23.74%, respectively, due to the promotion of under-rib convection. The findings in this work may enable the optimization of the design of under-rib convection-driven flow-fields for efficient PEMFCs.

Determination of optimum mounting configurations for flat-plate photovoltaic modules based on a structured field experiment and simulated results from PVFORM, a photovoltaic system performance model

NASA Astrophysics Data System (ADS)

Menicucci, D. F.

1986-01-01

The performance of a photovoltaic (PV) system is affected by its mounting configuration. The optimal configuration is unclear because of lack of experience and data. Sandia National Laboratories, Albuquerque (SNLA), has conducted a controlled field experiment to compare four types of the most common module mounting. The data from the experiment were used to verify the accuracy of PVFORM, a new computer program that simulates PV performance. PVFORM was then used to simulate the performance of identical PV modules on different mounting configurations at 10 sites throughout the US. This report describes the module mounting configurations, the experimental methods used, the specialized statistical techniques used in the analysis, and the final results of the effort. The module mounting configurations are rank ordered at each site according to their annual and seasonal energy production performance, and each is briefly discussed in terms of its advantages and disadvantages in various applications.

Study of transport phenomena in laser-driven, non- equilibrium plasmas in the presence of external magnetic fields

NASA Astrophysics Data System (ADS)

Kemp, G. Elijah; Mariscal, D. A.; Williams, G. J.; Blue, B. E.; Colvin, J. D.; Fears, T. M.; Kerr, S. M.; May, M. J.; Moody, J. D.; Strozzi, D. J.; Lefevre, H. J.; Klein, S. R.; Kuranz, C. C.; Manuel, M. J.-E.; Gautier, D. C.; Montgomery, D. S.

2017-10-01

We present experimental and simulation results from a study of thermal transport inhibition in laser-driven, mid-Z, non-equilibrium plasmas in the presence external magnetic fields. The experiments were performed at the Jupiter Laser Facility at LLNL, where x-ray spectroscopy, proton radiography, and Brillouin backscatter data were simultaneously acquired from sub-critical-density, Ti-doped silica aerogel foams driven by a 2 ω laser at 5 ×1014 W /cm2 . External B-field strengths up to 20 T (aligned antiparallel to the laser propagation axis) were provided by a capacitor-bank-driven Helmholtz coil. Pre-shot simulations with Hydra, a radiation-magnetohydrodyanmics code, showed increasing electron plasma temperature with increasing B-field strength - the result of thermal transport inhibition perpendicular to the B-field. The influence of this thermal transport inhibition on the experimental observables as a function of external field strength and target density will be shown and compared with simulations. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 and funded by LDRD project 17-ERD-027.

Discriminative Random Field Models for Subsurface Contamination Uncertainty Quantification

NASA Astrophysics Data System (ADS)

Arshadi, M.; Abriola, L. M.; Miller, E. L.; De Paolis Kaluza, C.

2017-12-01

Application of flow and transport simulators for prediction of the release, entrapment, and persistence of dense non-aqueous phase liquids (DNAPLs) and associated contaminant plumes is a computationally intensive process that requires specification of a large number of material properties and hydrologic/chemical parameters. Given its computational burden, this direct simulation approach is particularly ill-suited for quantifying both the expected performance and uncertainty associated with candidate remediation strategies under real field conditions. Prediction uncertainties primarily arise from limited information about contaminant mass distributions, as well as the spatial distribution of subsurface hydrologic properties. Application of direct simulation to quantify uncertainty would, thus, typically require simulating multiphase flow and transport for a large number of permeability and release scenarios to collect statistics associated with remedial effectiveness, a computationally prohibitive process. The primary objective of this work is to develop and demonstrate a methodology that employs measured field data to produce equi-probable stochastic representations of a subsurface source zone that capture the spatial distribution and uncertainty associated with key features that control remediation performance (i.e., permeability and contamination mass). Here we employ probabilistic models known as discriminative random fields (DRFs) to synthesize stochastic realizations of initial mass distributions consistent with known, and typically limited, site characterization data. Using a limited number of full scale simulations as training data, a statistical model is developed for predicting the distribution of contaminant mass (e.g., DNAPL saturation and aqueous concentration) across a heterogeneous domain. Monte-Carlo sampling methods are then employed, in conjunction with the trained statistical model, to generate realizations conditioned on measured borehole data. Performance of the statistical model is illustrated through comparisons of generated realizations with the `true' numerical simulations. Finally, we demonstrate how these realizations can be used to determine statistically optimal locations for further interrogation of the subsurface.

Evaluation of WRF Model Against Satellite and Field Measurements During ARM March 2000 IOP

NASA Astrophysics Data System (ADS)

Wu, J.; Zhang, M.

2003-12-01

Meso-scale WRF model is employed to simulate the organization of clouds related with the cyclogenesis occurred during March 1-4, 2000 over ARM SGP CART site. Qualitative comparisons of simulated clouds with GOES8 satellite images show that the WRF model can capture the main features of clouds related with the cyclogenesis. The simulated precipitation patterns also match the Radar reflectivity images well. Further evaluation of the simulated features on GCM grid-scale is conducted against ARM field measurements. The evaluation shows that the evolutions of the simulated state fields such as temperature and moisture, the simulated wind fields and the derived large-scale temperature and moisture tendencies closely follow the observed patterns. These results encourages us to use meso-scale WRF model as a tool to verify the performance of GCMs in simulating cloud feedback processes related with the frontal clouds such that we can test and validate the current cloud parameterizations in climate models, and make possible improvements to different components of current cloud parameterizations in GCMs.

Lunar gravitational field estimation and the effects of mismodeling upon lunar satellite orbit prediction. M.S. Thesis

NASA Technical Reports Server (NTRS)

Davis, John H.

1993-01-01

Lunar spherical harmonic gravity coefficients are estimated from simulated observations of a near-circular low altitude polar orbiter disturbed by lunar mascons. Lunar gravity sensing missions using earth-based nearside observations with and without satellite-based far-side observations are simulated and least squares maximum likelihood estimates are developed for spherical harmonic expansion fit models. Simulations and parameter estimations are performed by a modified version of the Smithsonian Astrophysical Observatory's Planetary Ephemeris Program. Two different lunar spacecraft mission phases are simulated to evaluate the estimated fit models. Results for predicting state covariances one orbit ahead are presented along with the state errors resulting from the mismodeled gravity field. The position errors from planning a lunar landing maneuver with a mismodeled gravity field are also presented. These simulations clearly demonstrate the need to include observations of satellite motion over the far side in estimating the lunar gravity field. The simulations also illustrate that the eighth degree and order expansions used in the simulated fits were unable to adequately model lunar mascons.

Spatial Cognition and Map Interpretation

DTIC Science & Technology

1987-09-01

Terrain association Spatial cognition Map reading Videogames aa mldm II naeaaaaiy and Hontlty by block numbor) Spatial memory span Orientation...ability. Finally, field and classroom performance was compared to wayfinding in a simulated ( videogame ) environment in which position coordinates were...a simulated ( videogame ) environment. Findings: MITAC instruction significantly improved the experimental group’s ability to perform terrain

Improved model of hydrated calcium ion for molecular dynamics simulations using classical biomolecular force fields.

PubMed

Yoo, Jejoong; Wilson, James; Aksimentiev, Aleksei

2016-10-01

Calcium ions (Ca(2+) ) play key roles in various fundamental biological processes such as cell signaling and brain function. Molecular dynamics (MD) simulations have been used to study such interactions, however, the accuracy of the Ca(2+) models provided by the standard MD force fields has not been rigorously tested. Here, we assess the performance of the Ca(2+) models from the most popular classical force fields AMBER and CHARMM by computing the osmotic pressure of model compounds and the free energy of DNA-DNA interactions. In the simulations performed using the two standard models, Ca(2+) ions are seen to form artificial clusters with chloride, acetate, and phosphate species; the osmotic pressure of CaAc2 and CaCl2 solutions is a small fraction of the experimental values for both force fields. Using the standard parameterization of Ca(2+) ions in the simulations of Ca(2+) -mediated DNA-DNA interactions leads to qualitatively wrong outcomes: both AMBER and CHARMM simulations suggest strong inter-DNA attraction whereas, in experiment, DNA molecules repel one another. The artificial attraction of Ca(2+) to DNA phosphate is strong enough to affect the direction of the electric field-driven translocation of DNA through a solid-state nanopore. To address these shortcomings of the standard Ca(2+) model, we introduce a custom model of a hydrated Ca(2+) ion and show that using our model brings the results of the above MD simulations in quantitative agreement with experiment. Our improved model of Ca(2+) can be readily applied to MD simulations of various biomolecular systems, including nucleic acids, proteins and lipid bilayer membranes. © 2016 Wiley Periodicals, Inc. Biopolymers 105: 752-763, 2016. © 2016 Wiley Periodicals, Inc.

Constrained Local UniversE Simulations: a Local Group factory

NASA Astrophysics Data System (ADS)

Carlesi, Edoardo; Sorce, Jenny G.; Hoffman, Yehuda; Gottlöber, Stefan; Yepes, Gustavo; Libeskind, Noam I.; Pilipenko, Sergey V.; Knebe, Alexander; Courtois, Hélène; Tully, R. Brent; Steinmetz, Matthias

2016-05-01

Near-field cosmology is practised by studying the Local Group (LG) and its neighbourhood. This paper describes a framework for simulating the `near field' on the computer. Assuming the Λ cold dark matter (ΛCDM) model as a prior and applying the Bayesian tools of the Wiener filter and constrained realizations of Gaussian fields to the Cosmicflows-2 (CF2) survey of peculiar velocities, constrained simulations of our cosmic environment are performed. The aim of these simulations is to reproduce the LG and its local environment. Our main result is that the LG is likely a robust outcome of the ΛCDMscenario when subjected to the constraint derived from CF2 data, emerging in an environment akin to the observed one. Three levels of criteria are used to define the simulated LGs. At the base level, pairs of haloes must obey specific isolation, mass and separation criteria. At the second level, the orbital angular momentum and energy are constrained, and on the third one the phase of the orbit is constrained. Out of the 300 constrained simulations, 146 LGs obey the first set of criteria, 51 the second and 6 the third. The robustness of our LG `factory' enables the construction of a large ensemble of simulated LGs. Suitable candidates for high-resolution hydrodynamical simulations of the LG can be drawn from this ensemble, which can be used to perform comprehensive studies of the formation of the LG.

VERIFICATION OF THE HYDROLOGIC EVALUATION OF LANDFILL PERFORMANCE (HELP) MODEL USING FIELD DATA

EPA Science Inventory

The report describes a study conducted to verify the Hydrologic Evaluation of Landfill Performance (HELP) computer model using existing field data from a total of 20 landfill cells at 7 sites in the United States. Simulations using the HELP model were run to compare the predicted...

Flocking and self-defense: experiments and simulations of avian mobbing

NASA Astrophysics Data System (ADS)

Kane, Suzanne Amador

2011-03-01

We have performed motion capture studies in the field of avian mobbing, in which flocks of prey birds harass predatory birds. Our empirical studies cover both field observations of mobbing occurring in mid-air, where both predator and prey are in flight, and an experimental system using actual prey birds and simulated predator ``perch and wait'' strategies. To model our results and establish the effectiveness of mobbing flight paths at minimizing risk of capture while optimizing predator harassment, we have performed computer simulations using the actual measured trajectories of mobbing prey birds combined with model predator trajectories. To accurately simulate predator motion, we also measured raptor acceleration and flight dynamics, well as prey-pursuit strategies. These experiments and theoretical studies were all performed with undergraduate research assistants in a liberal arts college setting. This work illustrates how biological physics provides undergraduate research projects well-suited to the abilities of physics majors with interdisciplinary science interests and diverse backgrounds.

The Wide-Field Imaging Interferometry Testbed (WIIT): Recent Progress in the Simulation and Synthesis of WIIT Data

NASA Technical Reports Server (NTRS)

Juanola Parramon, Roser; Leisawitz, David T.; Bolcar, Matthew R.; Maher, Stephen F.; Rinehart, Stephen A.; Iacchetta, Alex; Savini, Giorgio

2016-01-01

The Wide-field Imaging Interferometry Testbed (WIIT) is a double Fourier (DF) interferometer operating at optical wavelengths, and provides data that are highly representative of those from a space-based far-infrared interferometer like SPIRIT. This testbed has been used to measure both a geometrically simple test scene and an astronomically representative test scene. Here we present the simulation of recent WIIT measurements using FIInS (the Far-infrared Interferometer Instrument Simulator), the main goal of which is to simulate both the input and the output of a DFM system. FIInS has been modified to perform calculations at optical wavelengths and to include an extended field of view due to the presence of a detector array.

Phased-array vector velocity estimation using transverse oscillations.

PubMed

Pihl, Michael J; Marcher, Jonne; Jensen, Jorgen A

2012-12-01

A method for estimating the 2-D vector velocity of blood using a phased-array transducer is presented. The approach is based on the transverse oscillation (TO) method. The purposes of this work are to expand the TO method to a phased-array geometry and to broaden the potential clinical applicability of the method. A phased-array transducer has a smaller footprint and a larger field of view than a linear array, and is therefore more suited for, e.g., cardiac imaging. The method relies on suitable TO fields, and a beamforming strategy employing diverging TO beams is proposed. The implementation of the TO method using a phased-array transducer for vector velocity estimation is evaluated through simulation and flow-rig measurements are acquired using an experimental scanner. The vast number of calculations needed to perform flow simulations makes the optimization of the TO fields a cumbersome process. Therefore, three performance metrics are proposed. They are calculated based on the complex TO spectrum of the combined TO fields. It is hypothesized that the performance metrics are related to the performance of the velocity estimates. The simulations show that the squared correlation values range from 0.79 to 0.92, indicating a correlation between the performance metrics of the TO spectrum and the velocity estimates. Because these performance metrics are much more readily computed, the TO fields can be optimized faster for improved velocity estimation of both simulations and measurements. For simulations of a parabolic flow at a depth of 10 cm, a relative (to the peak velocity) bias and standard deviation of 4% and 8%, respectively, are obtained. Overall, the simulations show that the TO method implemented on a phased-array transducer is robust with relative standard deviations around 10% in most cases. The flow-rig measurements show similar results. At a depth of 9.5 cm using 32 emissions per estimate, the relative standard deviation is 9% and the relative bias is -9%. At the center of the vessel, the velocity magnitude is estimated to be 0.25 ± 0.023 m/s, compared with an expected peak velocity magnitude of 0.25 m/s, and the beam-to-flow angle is calculated to be 89.3° ± 0.77°, compared with an expected angle value between 89° and 90°. For steering angles up to ±20° degrees, the relative standard deviation is less than 20%. The results also show that a 64-element transducer implementation is feasible, but with a poorer performance compared with a 128-element transducer. The simulation and experimental results demonstrate that the TO method is suitable for use in conjunction with a phased-array transducer, and that 2-D vector velocity estimation is possible down to a depth of 15 cm.

Multi-mode evaluation of power-maximizing cross-flow turbine controllers

DOE PAGES

Forbush, Dominic; Cavagnaro, Robert J.; Donegan, James; ...

2017-09-21

A general method for predicting and evaluating the performance of three candidate cross-flow turbine power-maximizing controllers is presented in this paper using low-order dynamic simulation, scaled laboratory experiments, and full-scale field testing. For each testing mode and candidate controller, performance metrics quantifying energy capture (ability of a controller to maximize power), variation in torque and rotation rate (related to drive train fatigue), and variation in thrust loads (related to structural fatigue) are quantified for two purposes. First, for metrics that could be evaluated across all testing modes, we considered the accuracy with which simulation or laboratory experiments could predict performancemore » at full scale. Second, we explored the utility of these metrics to contrast candidate controller performance. For these turbines and set of candidate controllers, energy capture was found to only differentiate controller performance in simulation, while the other explored metrics were able to predict performance of the full-scale turbine in the field with various degrees of success. Finally, effects of scale between laboratory and full-scale testing are considered, along with recommendations for future improvements to dynamic simulations and controller evaluation.« less

Multi-mode evaluation of power-maximizing cross-flow turbine controllers

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

Forbush, Dominic; Cavagnaro, Robert J.; Donegan, James

A general method for predicting and evaluating the performance of three candidate cross-flow turbine power-maximizing controllers is presented in this paper using low-order dynamic simulation, scaled laboratory experiments, and full-scale field testing. For each testing mode and candidate controller, performance metrics quantifying energy capture (ability of a controller to maximize power), variation in torque and rotation rate (related to drive train fatigue), and variation in thrust loads (related to structural fatigue) are quantified for two purposes. First, for metrics that could be evaluated across all testing modes, we considered the accuracy with which simulation or laboratory experiments could predict performancemore » at full scale. Second, we explored the utility of these metrics to contrast candidate controller performance. For these turbines and set of candidate controllers, energy capture was found to only differentiate controller performance in simulation, while the other explored metrics were able to predict performance of the full-scale turbine in the field with various degrees of success. Finally, effects of scale between laboratory and full-scale testing are considered, along with recommendations for future improvements to dynamic simulations and controller evaluation.« less

Two- and three-dimensional turbine blade row flow field simulations

NASA Technical Reports Server (NTRS)

Buggeln, R. C.; Briley, W. R.; Mcdonald, H.; Shamroth, S. J.; Weinberg, B. C.

1987-01-01

Work performed in the numerical simulation of turbine passage flows via a Navier-Stokes approach is discussed. Both laminar and turbulent simulations in both two and three dimensions are discussed. An outline of the approach, background, and an overview of the results are given.

Simulation and 'TWINS Observations of the 22 July 2009 Storm

NASA Technical Reports Server (NTRS)

Fok, Mei-Ching; Buzulukova, Natalia Y.; Chen, Sheng-Hsien; Valek, Phil; Goldstein, Jerry; McComas, David

2010-01-01

TWINS is the first mission to perform stereo imaging of the Earth's ring current. The magnetic storm on 22 July 2009 is the largest storm observed since TWINS began routine stereo imaging in June 2008. On 22 July 2009, the Dst dropped to nearly -80nT at 7:00 and 10:00 UT. During the main phase and at the peak of the storm, TWINS 1 and 2 were near apogee and moving from pre-dawn to post-dawn local time. The energetic neutral atom (ENA) imagers on the 2 spacecraft captured the storm intensification and the formation of the partial ring current. The peak of the ENA emissions was seen in the midnight-to-dawn local-time sector. The development of this storm has been simulated using the Comprehensive Ring Current Model (CRCM) to understand and interpret the observed signatures. We perform CRCM runs with constant and time-varying magnetic field. The model calculations are validated by comparing the simulated ENA and ion flux intensities with TWINS ENA images and in-situ ion data from THEMIS satellites. Simulation with static magnetic field produces a strong shielding electric field that skews the ion drift trajectories toward dawn. The model's corresponding peak ENA emissions are always eastward than those in the observed TWINS images. On the other hand, simulation with a dynamic magnetic field gives better spatial agreements with both ENA and insitu particle data, suggesting that temporal variations of the geomagnetic field exert a significant influence upon global ring current ion dynamics.

Simulations of Field-Emission Electron Beams from CNT Cathodes in RF Photoinjectors

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

Mihalcea, Daniel; Faillace, Luigi; Panuganti, Harsha

2015-06-01

Average field emission currents of up to 700 mA were produced by Carbon Nano Tube (CNT) cathodes in a 1.3 GHz RF gun at Fermilab High Brightness Electron Source Lab. (HBESL). The CNT cathodes were manufactured at Xintek and tested under DC conditions at RadiaBeam. The electron beam intensity as well as the other beam properties are directly related to the time-dependent electric field at the cathode and the geometry of the RF gun. This report focuses on simulations of the electron beam generated through field-emission and the results are compared with experimental measurements. These simulations were performed with themore » time-dependent Particle In Cell (PIC) code WARP.« less

Coarse-Graining Polymer Field Theory for Fast and Accurate Simulations of Directed Self-Assembly

NASA Astrophysics Data System (ADS)

Liu, Jimmy; Delaney, Kris; Fredrickson, Glenn

To design effective manufacturing processes using polymer directed self-assembly (DSA), the semiconductor industry benefits greatly from having a complete picture of stable and defective polymer configurations. Field-theoretic simulations are an effective way to study these configurations and predict defect populations. Self-consistent field theory (SCFT) is a particularly successful theory for studies of DSA. Although other models exist that are faster to simulate, these models are phenomenological or derived through asymptotic approximations, often leading to a loss of accuracy relative to SCFT. In this study, we employ our recently-developed method to produce an accurate coarse-grained field theory for diblock copolymers. The method uses a force- and stress-matching strategy to map output from SCFT simulations into parameters for an optimized phase field model. This optimized phase field model is just as fast as existing phenomenological phase field models, but makes more accurate predictions of polymer self-assembly, both in bulk and in confined systems. We study the performance of this model under various conditions, including its predictions of domain spacing, morphology and defect formation energies. Samsung Electronics.

Augmented Reality in a Simulated Tower Environment: Effect of Field of View on Aircraft Detection

NASA Technical Reports Server (NTRS)

Ellis, Stephen R.; Adelstein, Bernard D.; Reisman, Ronald J.; Schmidt-Ott, Joelle R.; Gips, Jonathan; Krozel, Jimmy; Cohen, Malcolm (Technical Monitor)

2002-01-01

An optical see-through, augmented reality display was used to study subjects' ability to detect aircraft maneuvering and landing at the Dallas Ft. Worth International airport in an ATC Tower simulation. Subjects monitored the traffic patterns as if from the airport's western control tower. Three binocular fields of view (14 deg, 28 deg and 47 deg) were studied in an independent groups' design to measure the degradation in detection performance associated with the visual field restrictions. In a second experiment the 14 deg and 28 deg fields were presented either with 46% binocular overlap or 100% overlap for separate groups. The near asymptotic results of the first experiment suggest that binocular fields of view much greater than 47% are unlikely to dramatically improve performance; and those of the second experiment suggest that partial binocular overlap is feasible for augmented reality displays such as may be used for ATC tower applications.

Comparisons of Field Tests with Simulations: Abrams Program Lessons Learned

DTIC Science & Technology

1990-03-01

observed field out conme. Thiirtv-.-ixI\\ (3(-) of thle com parisons resulted in complete iuj .muatchves: thatif -. S ~u,-VSII inever )in its J000...2.REPORT DAE j3 EOTTP ~ AE OEE IMairch 1990 I-Final Jul 87 - Oct 89 4. TitE AND SUBTMTE S . PUNOING NUMBWERS (Comparisons or Field Tests with...Simulations: Abrams Program Lessons Learned 6. AUTHOR( S ) lPaul 11. lDcvtz, Jill I[. Smith. John 11. Stickling 7. PERFORMING ORGANIZATION NAME( S ) AND AIDDRESS

Implementation of interconnect simulation tools in spice

NASA Technical Reports Server (NTRS)

Satsangi, H.; Schutt-Aine, J. E.

1993-01-01

Accurate computer simulation of high speed digital computer circuits and communication circuits requires a multimode approach to simulate both the devices and the interconnects between devices. Classical circuit analysis algorithms (lumped parameter) are needed for circuit devices and the network formed by the interconnected devices. The interconnects, however, have to be modeled as transmission lines which incorporate electromagnetic field analysis. An approach to writing a multimode simulator is to take an existing software package which performs either lumped parameter analysis or field analysis and add the missing type of analysis routines to the package. In this work a traditionally lumped parameter simulator, SPICE, is modified so that it will perform lossy transmission line analysis using a different model approach. Modifying SPICE3E2 or any other large software package is not a trivial task. An understanding of the programming conventions used, simulation software, and simulation algorithms is required. This thesis was written to clarify the procedure for installing a device into SPICE3E2. The installation of three devices is documented and the installations of the first two provide a foundation for installation of the lossy line which is the third device. The details of discussions are specific to SPICE, but the concepts will be helpful when performing installations into other circuit analysis packages.

Prediction of Gas Injection Performance for Heterogeneous Reservoirs

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

Blunt, Martin J.; Orr, Franklin M.

This report describes research carried out in the Department of Petroleum Engineering at Stanford University from September 1997 - September 1998 under the second year of a three-year grant from the Department of Energy on the "Prediction of Gas Injection Performance for Heterogeneous Reservoirs." The research effort is an integrated study of the factors affecting gas injection, from the pore scale to the field scale, and involves theoretical analysis, laboratory experiments, and numerical simulation. The original proposal described research in four areas: (1) Pore scale modeling of three phase flow in porous media; (2) Laboratory experiments and analysis of factorsmore » influencing gas injection performance at the core scale with an emphasis on the fundamentals of three phase flow; (3) Benchmark simulations of gas injection at the field scale; and (4) Development of streamline-based reservoir simulator. Each state of the research is planned to provide input and insight into the next stage, such that at the end we should have an integrated understanding of the key factors affecting field scale displacements.« less

Simulated stellar kinematics studies of high-redshift galaxies with the HARMONI Integral Field Spectrograph

NASA Astrophysics Data System (ADS)

Kendrew, S.; Zieleniewski, S.; Houghton, R. C. W.; Thatte, N.; Devriendt, J.; Tecza, M.; Clarke, F.; O'Brien, K.; Häußler, B.

2016-05-01

We present a study into the capabilities of integrated and spatially resolved integral field spectroscopy of galaxies at z = 2-4 with the future HARMONI spectrograph for the European Extremely Large Telescope (E-ELT) using the simulation pipeline, HSIM. We focus particularly on the instrument's capabilities in stellar absorption line integral field spectroscopy, which will allow us to study the stellar kinematics and stellar population characteristics. Such measurements for star-forming and passive galaxies around the peak star formation era will provide a critical insight into the star formation, quenching and mass assembly history of high-z, and thus present-day galaxies. First, we perform a signal-to-noise study for passive galaxies at a range of stellar masses for z = 2-4, assuming different light profiles; for this population, we estimate that integrated stellar absorption line spectroscopy with HARMONI will be limited to galaxies with M* ≳ 1010.7 M⊙. Secondly, we use HSIM to perform a mock observation of a typical star-forming 1010 M⊙ galaxy at z = 3 generated from the high-resolution cosmological simulation NUTFB. We demonstrate that the input stellar kinematics of the simulated galaxy can be accurately recovered from the integrated spectrum in a 15-h observation, using common analysis tools. Whilst spatially resolved spectroscopy is likely to remain out of reach for this particular galaxy, we estimate HARMONI's performance limits in this regime from our findings. This study demonstrates how instrument simulators such as HSIM can be used to quantify instrument performance and study observational biases on kinematics retrieval; and shows the potential of making observational predictions from cosmological simulation output data.

Incorporating dynamic root growth enhances the performance of Noah-MP at two contrasting winter wheat field sites

NASA Astrophysics Data System (ADS)

Gayler, Sebastian; Wöhling, Thomas; Ingwersen, Joachim; Wizemann, Hans-Dieter; Warrach-Sagi, Kirsten; Attinger, Sabine; Streck, Thilo; Wulmeyer, Volker

2014-05-01

Interactions between the soil, the vegetation, and the atmospheric boundary layer require close attention when predicting water fluxes in the hydrogeosystem, agricultural systems, weather and climate. However, land-surface schemes used in large scale models continue to show deficits in consistently simulating fluxes of water and energy from the subsurface through vegetation layers to the atmosphere. In this study, the multi-physics version of the Noah land-surface model (Noah-MP) was used to identify the processes, which are most crucial for a simultaneous simulation of water and heat fluxes between land-surface and the lower atmosphere. Comprehensive field data sets of latent and sensible heat fluxes, ground heat flux, soil moisture, and leaf area index from two contrasting field sites in South-West Germany are used to assess the accuracy of simulations. It is shown that an adequate representation of vegetation-related processes is the most important control for a consistent simulation of energy and water fluxes in the soil-plant-atmosphere system. In particular, using a newly implemented sub-module to simulate root growth dynamics has enhanced the performance of Noah-MP at both field sites. We conclude that further advances in the representation of leaf area dynamics and root/soil moisture interactions are the most promising starting points for improving the simulation of feedbacks between the sub-soil, land-surface and atmosphere in fully-coupled hydrological and atmospheric models.

Measurement and numerical simulation of high intensity focused ultrasound field in water

NASA Astrophysics Data System (ADS)

Lee, Kang Il

2017-11-01

In the present study, the acoustic field of a high intensity focused ultrasound (HIFU) transducer in water was measured by using a commercially available needle hydrophone intended for HIFU use. To validate the results of hydrophone measurements, numerical simulations of HIFU fields were performed by integrating the axisymmetric Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation from the frequency-domain perspective with the help of a MATLAB-based software package developed for HIFU simulation. Quantitative values for the focal waveforms, the peak pressures, and the size of the focal spot were obtained in various regimes of linear, quasilinear, and nonlinear propagation up to the source pressure levels when the shock front was formed in the waveform. The numerical results with the HIFU simulator solving the KZK equation were compared with the experimental data and found to be in good agreement. This confirms that the numerical simulation based on the KZK equation is capable of capturing the nonlinear pressure field of therapeutic HIFU transducers well enough to make it suitable for HIFU treatment planning.

Reconnection and Associated Flares in Global Relativistic Jets Containing Helical Magnetic Fields with PIC Simulations

NASA Astrophysics Data System (ADS)

Nishikawa, Ken-Ichi; Hartmann, Dieter; Mizuno, Yosuke; Niemiec, Jacek; Dutan, Ioana; Kobzar, Oleh; Gomez, Jose; Meli, Athina; POHL, Martin

2018-01-01

In the study of relativistic jets one of the key open questions is their interaction with theenvironment on the microscopic level. Here, we study the initial evolution of both electron–proton and electron–positron relativistic jets containing helical magnetic fields, focusing on their interaction with an ambient plasma. We have performed simulations of “global” jets containing helical magnetic fields in order to examine how helical magnetic fields affect kinetic instabilities such as the Weibel instability, the kinetic Kelvin-Helmholtz instability (kKHI) and the Mushroom instability (MI) using a larger jet radius. In our initial simulation study these kinetic instabilities are suppressed and new types of instabilities can grow. In the electron-proton jet simulation a recollimation-like instability occurs near the center of jet. In the electron-positron jet simulation mixed kinetic instabilities grow and the jet electrons are accelerated. The evolution of electron-ion jets will be investigated with different mass ratios. Simulations using much larger systems are required in order to thoroughly follow the evolution of global jets containing helical magnetic fields. We will investigate mechanisms of flares possibly due to reconnection.

Simulation study of geometric shape factor approach to estimating earth emitted flux densities from wide field-of-view radiation measurements

NASA Technical Reports Server (NTRS)

Weaver, W. L.; Green, R. N.

1980-01-01

A study was performed on the use of geometric shape factors to estimate earth-emitted flux densities from radiation measurements with wide field-of-view flat-plate radiometers on satellites. Sets of simulated irradiance measurements were computed for unrestricted and restricted field-of-view detectors. In these simulations, the earth radiation field was modeled using data from Nimbus 2 and 3. Geometric shape factors were derived and applied to these data to estimate flux densities on global and zonal scales. For measurements at a satellite altitude of 600 km, estimates of zonal flux density were in error 1.0 to 1.2%, and global flux density errors were less than 0.2%. Estimates with unrestricted field-of-view detectors were about the same for Lambertian and non-Lambertian radiation models, but were affected by satellite altitude. The opposite was found for the restricted field-of-view detectors.

Electron-cyclotron damping of helicon waves in low diverging magnetic fields

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

Lafleur, T.; Charles, C.; Boswell, R. W.

2011-04-15

Particle-in-cell simulations are performed to investigate wave propagation and absorption behavior of low-field (B{sub 0}<5 mT) helicon waves in the presence of a diverging magnetic field. The 1D electromagnetic simulations, which include experimental external magnetic field profiles, provide strong evidence for electron-cyclotron damping of helicon waves in the spatially decaying nonuniform magnetic field. For a dipole-type magnetic field configuration, the helicon waves are absence in the downstream (lower field) region of the plasma and are observed to be completely absorbed. As the magnetic field is changed slightly however, wave damping decreases, and waves are able to propagate freely downstream, confirmingmore » previous experimental measurements of this phenomenon.« less

Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform.

PubMed

Peng, Xiangda; Zhang, Yuebin; Chu, Huiying; Li, Guohui

2016-03-05

The free energy calculation library PLUMED has been incorporated into the OpenMM simulation toolkit, with the purpose to perform enhanced sampling MD simulations using the AMOEBA polarizable force field on GPU platform. Two examples, (I) the free energy profile of water pair separation (II) alanine dipeptide dihedral angle free energy surface in explicit solvent, are provided here to demonstrate the accuracy and efficiency of our implementation. The converged free energy profiles could be obtained within an affordable MD simulation time when the AMOEBA polarizable force field is employed. Moreover, the free energy surfaces estimated using the AMOEBA polarizable force field are in agreement with those calculated from experimental data and ab initio methods. Hence, the implementation in this work is reliable and would be utilized to study more complicated biological phenomena in both an accurate and efficient way. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

Impact of the initial specification of moisture and vertical motion on precipitation forecasts with a mesoscale model Implications for a satellite mesoscale data base

NASA Technical Reports Server (NTRS)

Mlynczak, Pamela E.; Houghton, David D.; Diak, George R.

1986-01-01

Using a numerical mesoscale model, four simulations were performed to determine the effects of suppressing the initial mesoscale information in the moisture and wind fields on the precipitation forecasts. The simulations included a control forecast 12-h simulation that began at 1200 GMT March 1982 and three experiment simulations with modifications to the moisture and vertical motion fields incorporated at 1800 GMT. The forecasts from 1800 GMT were compared to the second half of the control forecast. It was found that, compared to the control forecast, suppression of the moisture and/or wind initial field(s) produces a drier forecast. However, the characteristics of the precipitation forecasts of the experiments were not different enough to conclude that either mesoscale moisture or mesoscale vertical velocity at the initial time are more important for producing a forecast closer to that of the control.

Simulating Ordinal Data

ERIC Educational Resources Information Center

Ferrari, Pier Alda; Barbiero, Alessandro

2012-01-01

The increasing use of ordinal variables in different fields has led to the introduction of new statistical methods for their analysis. The performance of these methods needs to be investigated under a number of experimental conditions. Procedures to simulate from ordinal variables are then required. In this article, we deal with simulation from…

Surrogate Reservoir Model

NASA Astrophysics Data System (ADS)

Mohaghegh, Shahab

2010-05-01

Surrogate Reservoir Model (SRM) is new solution for fast track, comprehensive reservoir analysis (solving both direct and inverse problems) using existing reservoir simulation models. SRM is defined as a replica of the full field reservoir simulation model that runs and provides accurate results in real-time (one simulation run takes only a fraction of a second). SRM mimics the capabilities of a full field model with high accuracy. Reservoir simulation is the industry standard for reservoir management. It is used in all phases of field development in the oil and gas industry. The routine of simulation studies calls for integration of static and dynamic measurements into the reservoir model. Full field reservoir simulation models have become the major source of information for analysis, prediction and decision making. Large prolific fields usually go through several versions (updates) of their model. Each new version usually is a major improvement over the previous version. The updated model includes the latest available information incorporated along with adjustments that usually are the result of single-well or multi-well history matching. As the number of reservoir layers (thickness of the formations) increases, the number of cells representing the model approaches several millions. As the reservoir models grow in size, so does the time that is required for each run. Schemes such as grid computing and parallel processing helps to a certain degree but do not provide the required speed for tasks such as: field development strategies using comprehensive reservoir analysis, solving the inverse problem for injection/production optimization, quantifying uncertainties associated with the geological model and real-time optimization and decision making. These types of analyses require hundreds or thousands of runs. Furthermore, with the new push for smart fields in the oil/gas industry that is a natural growth of smart completion and smart wells, the need for real time reservoir modeling becomes more pronounced. SRM is developed using the state of the art in neural computing and fuzzy pattern recognition to address the ever growing need in the oil and gas industry to perform accurate, but high speed simulation and modeling. Unlike conventional geo-statistical approaches (response surfaces, proxy models …) that require hundreds of simulation runs for development, SRM is developed only with a few (from 10 to 30 runs) simulation runs. SRM can be developed regularly (as new versions of the full field model become available) off-line and can be put online for real-time processing to guide important decisions. SRM has proven its value in the field. An SRM was developed for a giant oil field in the Middle East. The model included about one million grid blocks with more than 165 horizontal wells and took ten hours for a single run on 12 parallel CPUs. Using only 10 simulation runs, an SRM was developed that was able to accurately mimic the behavior of the reservoir simulation model. Performing a comprehensive reservoir analysis that included making millions of SRM runs, wells in the field were divided into five clusters. It was predicted that wells in cluster one & two are best candidates for rate relaxation with minimal, long term water production while wells in clusters four and five are susceptive to high water cuts. Two and a half years and 20 wells later, rate relaxation results from the field proved that all the predictions made by the SRM analysis were correct. While incremental oil production increased in all wells (wells in clusters 1 produced the most followed by wells in cluster 2, 3 …) the percent change in average monthly water cut for wells in each cluster clearly demonstrated the analytic power of SRM. As it was correctly predicted, wells in clusters 1 and 2 actually experience a reduction in water cut while a substantial increase in water cut was observed in wells classified into clusters 4 and 5. Performing these analyses would have been impossible using the original full field simulation model.

Around Marshall

NASA Image and Video Library

1997-04-18

Marshall's Neutral Buoyancy Simulator (NBS) is used to simulate the gravitational fields and buoyancy effects outer space has on astronauts and their ability to perform tasks in this environment. In this example, a diver performs a temporary fluid line repair task using a repair kit developed by Marshall engineers. The analysis will determine the value of this repair kit and its feasibility.

Pulsed Lidar Performance/Technical Maturity Assessment

NASA Technical Reports Server (NTRS)

Gimmestad, Gary G.; West, Leanne L.; Wood, Jack W.; Frehlich, Rod

2004-01-01

This report describes the results of investigations performed by the Georgia Tech Research Institute (GTRI) and the National Center for Atmospheric Research (NCAR) under a task entitled 'Pulsed Lidar Performance/Technical Maturity Assessment' funded by the Crew Systems Branch of the Airborne Systems Competency at the NASA Langley Research Center. The investigations included two tasks, 1.1(a) and 1.1(b). The Tasks discussed in this report are in support of the NASA Virtual Airspace Modeling and Simulation (VAMS) program and are designed to evaluate a pulsed lidar that will be required for active wake vortex avoidance solutions. The Coherent Technologies, Inc. (CTI) WindTracer LIDAR is an eye-safe, 2-micron, coherent, pulsed Doppler lidar with wake tracking capability. The actual performance of the WindTracer system was to be quantified. In addition, the sensor performance has been assessed and modeled, and the models have been included in simulation efforts. The WindTracer LIDAR was purchased by the Federal Aviation Administration (FAA) for use in near-term field data collection efforts as part of a joint NASA/FAA wake vortex research program. In the joint research program, a minimum common wake and weather data collection platform will be defined. NASA Langley will use the field data to support wake model development and operational concept investigation in support of the VAMS project, where the ultimate goal is to improve airport capacity and safety. Task 1.1(a), performed by NCAR in Boulder, Colorado to analyze the lidar system to determine its performance and capabilities based on results from simulated lidar data with analytic wake vortex models provided by NASA, which were then compared to the vendor's claims for the operational specifications of the lidar. Task 1.1(a) is described in Section 3, including the vortex model, lidar parameters and simulations, and results for both detection and tracking of wake vortices generated by Boeing 737s and 747s. Task 1.1(b) was performed by GTRI in Atlanta, Georgia and is described in Section 4. Task 1.1(b) includes a description of the St. Louis Airport (STL) field test being conducted by the Volpe National Transportation Systems Center, and it also addresses the development of a test plan to validate simulation studies conducted as part of Task 1.1(a). Section 4.2 provides a description of the Volpe STL field tests, and Section 4.3 describes 3 possible ways to validate the WindTracer lidar simulations performed in Task 1.1(a).

The use of total simulator training in transitioning air-carrier pilots: A field evaluation

NASA Technical Reports Server (NTRS)

Randle, R. J., Jr.; Tanner, T. A.; Hamerman, J. A.; Showalter, T. H.

1981-01-01

A field study was conducted in which the performance of air carrier transitioning pilots who had landing training in a landing maneuver approved simulator was compared with the performance of pilots who had landing training in the aircraft. Forty-eight trainees transitioning to the B-727 aircraft and eighty-seven trainees transitioning to the DC-10 were included in the study. The study results in terms of both objectively measured performance indicants and observer and check-pilot ratings did not demonstrate a clear distinction between the two training groups. The results suggest that, for these highly skilled transitioning pilots, a separate training module in the aircraft may be of dubious value.

A diagram for evaluating multiple aspects of model performance in simulating vector fields

NASA Astrophysics Data System (ADS)

Xu, Zhongfeng; Hou, Zhaolu; Han, Ying; Guo, Weidong

2016-12-01

Vector quantities, e.g., vector winds, play an extremely important role in climate systems. The energy and water exchanges between different regions are strongly dominated by wind, which in turn shapes the regional climate. Thus, how well climate models can simulate vector fields directly affects model performance in reproducing the nature of a regional climate. This paper devises a new diagram, termed the vector field evaluation (VFE) diagram, which is a generalized Taylor diagram and able to provide a concise evaluation of model performance in simulating vector fields. The diagram can measure how well two vector fields match each other in terms of three statistical variables, i.e., the vector similarity coefficient, root mean square length (RMSL), and root mean square vector difference (RMSVD). Similar to the Taylor diagram, the VFE diagram is especially useful for evaluating climate models. The pattern similarity of two vector fields is measured by a vector similarity coefficient (VSC) that is defined by the arithmetic mean of the inner product of normalized vector pairs. Examples are provided, showing that VSC can identify how close one vector field resembles another. Note that VSC can only describe the pattern similarity, and it does not reflect the systematic difference in the mean vector length between two vector fields. To measure the vector length, RMSL is included in the diagram. The third variable, RMSVD, is used to identify the magnitude of the overall difference between two vector fields. Examples show that the VFE diagram can clearly illustrate the extent to which the overall RMSVD is attributed to the systematic difference in RMSL and how much is due to the poor pattern similarity.

Force field dependent solution properties of glycine oligomers

PubMed Central

Drake, Justin A.

2015-01-01

Molecular simulations can be used to study disordered polypeptide systems and to generate hypotheses on the underlying structural and thermodynamic mechanisms that govern their function. As the number of disordered protein systems investigated with simulations increase, it is important to understand how particular force fields affect the structural properties of disordered polypeptides in solution. To this end, we performed a comparative structural analysis of Gly3 and Gly10 in aqueous solution from all-atom, microsecond MD simulations using the CHARMM 27 (C27), CHARMM 36 (C36), and Amber ff12SB force fields. For each force field, Gly3 and Gly10 were simulated for at least 300 ns and 1 μs, respectively. Simulating oligoglycines of two different lengths allows us to evaluate how force field effects depend on polypeptide length. Using a variety of structural metrics (e.g. end-to-end distance, radius of gyration, dihedral angle distributions), we characterize the distribution of oligoglycine conformers for each force field and show that each sample conformation space differently, yielding considerably different structural tendencies of the same oligoglycine model in solution. Notably, we find that C36 samples more extended oligoglycine structures than both C27 and ff12SB. PMID:25952623

Gynecologic simulation training increases medical student confidence and interest in women's health.

PubMed

Nitschmann, Caroline; Bartz, Deborah; Johnson, Natasha R

2014-01-01

Exposure to commonly performed gynecologic procedures via simulation has potential to improve medical student knowledge and foster confidence with procedures. To implement and evaluate a gynecologic simulation curriculum for 3rd-year medical students during their obstetrics and gynecology core clerkship. A gynecologic simulation curriculum was implemented for medical students during their obstetrics and gynecology clerkship. Participants completed pre-and postsurveys to assess learner confidence; effect on interest in a surgical field, women's health, and obstetrics and gynecology as a career; and whether the session met their learning needs. Fifty-nine students participated. Improved confidence in performing the procedures was noted when comparing mean survey scores before and after the simulation for IUD insertion and removal (1.9 pre, 4.3 post, p < .0001), for dilatation and curettage (1.7 pre, 3.8 post, p < .0001), and basic laparoscopy skills (2.1 pre, 4.3 post, p < .0001). An increase in pursuing a surgical field (3.3 pre, 3.6 post, p < .003) and interest in women's health (3.7 pre, 4.9 post, p < .004) was noted among students after the simulation session. The curriculum strongly met the students learning needs with a mean score of 4.54 on the 5-point scale. Gynecologic simulation training for medical students can increase confidence in procedures, interest in pursuing a surgical field and women's health, and was highly effective in meeting student learning needs.

Evaluation of urban surface parameterizations in the WRF model using measurements during the Texas Air Quality Study 2006 field campaign

NASA Astrophysics Data System (ADS)

Lee, S.-H.; Kim, S.-W.; Angevine, W. M.; Bianco, L.; McKeen, S. A.; Senff, C. J.; Trainer, M.; Tucker, S. C.; Zamora, R. J.

2011-03-01

The performance of different urban surface parameterizations in the WRF (Weather Research and Forecasting) in simulating urban boundary layer (UBL) was investigated using extensive measurements during the Texas Air Quality Study 2006 field campaign. The extensive field measurements collected on surface (meteorological, wind profiler, energy balance flux) sites, a research aircraft, and a research vessel characterized 3-dimensional atmospheric boundary layer structures over the Houston-Galveston Bay area, providing a unique opportunity for the evaluation of the physical parameterizations. The model simulations were performed over the Houston metropolitan area for a summertime period (12-17 August) using a bulk urban parameterization in the Noah land surface model (original LSM), a modified LSM, and a single-layer urban canopy model (UCM). The UCM simulation compared quite well with the observations over the Houston urban areas, reducing the systematic model biases in the original LSM simulation by 1-2 °C in near-surface air temperature and by 200-400 m in UBL height, on average. A more realistic turbulent (sensible and latent heat) energy partitioning contributed to the improvements in the UCM simulation. The original LSM significantly overestimated the sensible heat flux (~200 W m-2) over the urban areas, resulting in warmer and higher UBL. The modified LSM slightly reduced warm and high biases in near-surface air temperature (0.5-1 °C) and UBL height (~100 m) as a result of the effects of urban vegetation. The relatively strong thermal contrast between the Houston area and the water bodies (Galveston Bay and the Gulf of Mexico) in the LSM simulations enhanced the sea/bay breezes, but the model performance in predicting local wind fields was similar among the simulations in terms of statistical evaluations. These results suggest that a proper surface representation (e.g. urban vegetation, surface morphology) and explicit parameterizations of urban physical processes are required for accurate urban atmospheric numerical modeling.

Discharge Chamber Primary Electron Modeling Activities in Three-Dimensions

NASA Technical Reports Server (NTRS)

Steuber, Thomas J.

2004-01-01

Designing discharge chambers for ion thrusters involves many geometric configuration decisions. Various decisions will impact discharge chamber performance with respect to propellant utilization efficiency, ion production costs, and grid lifetime. These hardware design decisions can benefit from the assistance of computational modeling. Computational modeling for discharge chambers has been limited to two-dimensional codes that leveraged symmetry for interpretation into three-dimensional analysis. This paper presents model development activities towards a three-dimensional discharge chamber simulation to aid discharge chamber design decisions. Specifically, of the many geometric configuration decisions toward attainment of a worthy discharge chamber, this paper focuses on addressing magnetic circuit considerations with a three-dimensional discharge chamber simulation as a tool. With this tool, candidate discharge chamber magnetic circuit designs can be analyzed computationally to gain insight into factors that may influence discharge chamber performance such as: primary electron loss width in magnetic cusps, cathode tip position with respect to the low magnetic field volume, definition of a low magnetic field region, and maintenance of a low magnetic field region across the grid span. Corroborating experimental data will be obtained from mockup hardware tests. Initially, simulated candidate magnetic circuit designs will resemble previous successful thruster designs. To provide opportunity to improve beyond previous performance benchmarks, off-design modifications will be simulated and experimentally tested.

Comparison between simulations and lab results on the ASSIST test-bench

NASA Astrophysics Data System (ADS)

Le Louarn, Miska; Madec, Pierre-Yves; Kolb, Johann; Paufique, Jerome; Oberti, Sylvain; La Penna, Paolo; Arsenault, Robin

2016-07-01

We present the latest comparison results between laboratory tests carried out on the ASSIST test bench and Octopus end-to end simulations. We simulated, as closely to the lab conditions as possible, the different AOF modes (Maintenance and commissioning mode (SCAO), GRAAL (GLAO in the near IR), Galacsi Wide Field mode (GLAO in the visible) and Galacsi narrow field mode (LTAO in the visible)). We then compared the simulation results to the ones obtained on the lab bench. Several aspects were investigated, like number of corrected modes, turbulence wind speeds, LGS photon flux etc. The agreement between simulations and lab is remarkably good for all investigated parameters, giving great confidence in both simulation tool and performance of the AO system in the lab.

Field programmable gate array-assigned complex-valued computation and its limits

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

Bernard-Schwarz, Maria, E-mail: maria.bernardschwarz@ni.com; Institute of Applied Physics, TU Wien, Wiedner Hauptstrasse 8, 1040 Wien; Zwick, Wolfgang

We discuss how leveraging Field Programmable Gate Array (FPGA) technology as part of a high performance computing platform reduces latency to meet the demanding real time constraints of a quantum optics simulation. Implementations of complex-valued operations using fixed point numeric on a Virtex-5 FPGA compare favorably to more conventional solutions on a central processing unit. Our investigation explores the performance of multiple fixed point options along with a traditional 64 bits floating point version. With this information, the lowest execution times can be estimated. Relative error is examined to ensure simulation accuracy is maintained.

The effects of solarization on the performance of a gas turbine

NASA Astrophysics Data System (ADS)

Homann, Christiaan; van der Spuy, Johan; von Backström, Theodor

2016-05-01

Various hybrid solar gas turbine configurations exist. The Stellenbosch University Solar Power Thermodynamic (SUNSPOT) cycle consists of a heliostat field, solar receiver, primary Brayton gas turbine cycle, thermal storage and secondary Rankine steam cycle. This study investigates the effect of the solarization of a gas turbine on its performance and details the integration of a gas turbine into a solar power plant. A Rover 1S60 gas turbine was modelled in Flownex, a thermal-fluid system simulation and design code, and validated against a one-dimensional thermodynamic model at design input conditions. The performance map of a newly designed centrifugal compressor was created and implemented in Flownex. The effect of the improved compressor on the performance of the gas turbine was evident. The gas turbine cycle was expanded to incorporate different components of a CSP plant, such as a solar receiver and heliostat field. The solarized gas turbine model simulates the gas turbine performance when subjected to a typical variation in solar resource. Site conditions at the Helio100 solar field were investigated and the possibility of integrating a gas turbine within this system evaluated. Heat addition due to solar irradiation resulted in a decreased fuel consumption rate. The influence of the additional pressure drop over the solar receiver was evident as it leads to decreased net power output. The new compressor increased the overall performance of the gas turbine and compensated for pressure losses incurred by the addition of solar components. The simulated integration of the solarized gas turbine at Helio100 showed potential, although the solar irradiation is too little to run the gas turbine on solar heat alone. The simulation evaluates the feasibility of solarizing a gas turbine and predicts plant performance for such a turbine cycle.

Detached Eddy Simulation of Flap Side-Edge Flow

NASA Technical Reports Server (NTRS)

Balakrishnan, Shankar K.; Shariff, Karim R.

2016-01-01

Detached Eddy Simulation (DES) of flap side-edge flow was performed with a wing and half-span flap configuration used in previous experimental and numerical studies. The focus of the study is the unsteady flow features responsible for the production of far-field noise. The simulation was performed at a Reynolds number (based on the main wing chord) of 3.7 million. Reynolds Averaged Navier-Stokes (RANS) simulations were performed as a precursor to the DES. The results of these precursor simulations match previous experimental and RANS results closely. Although the present DES simulations have not reached statistical stationary yet, some unsteady features of the developing flap side-edge flowfield are presented. In the final paper it is expected that statistically stationary results will be presented including comparisons of surface pressure spectra with experimental data.

Extended magnetohydrodynamic simulations of field reversed configuration formation and sustainment with rotating magnetic field current drive

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

Milroy, R. D.; Kim, C. C.; Sovinec, C. R.

Three-dimensional simulations of field reversed configuration (FRC) formation and sustainment with rotating magnetic field (RMF) current drive have been performed with the NIMROD code [C. R. Sovinec et al., J. Comput. Phys. 195, 355 (2004)]. The Hall term is a zeroth order effect with strong coupling between Fourier components, and recent enhancements to the NIMROD preconditioner allow much larger time steps than was previously possible. Boundary conditions to capture the effects of a finite length RMF antenna have been added, and simulations of FRC formation from a uniform background plasma have been performed with parameters relevant to the translation, confinement,more » and sustainment-upgrade experiment at the University of Washington [H. Y. Guo, A. L. Hoffman, and R. D. Milroy, Phys. Plasmas 14, 112502 (2007)]. The effects of both even-parity and odd-parity antennas have been investigated, and there is no evidence of a disruptive instability for either antenna type. It has been found that RMF effects extend considerably beyond the ends of the antenna, and that a large n=0 B{sub t}heta can develop in the open-field line region, producing a back torque opposing the RMF.« less

Simulation of gaseous pollutant dispersion around an isolated building using the k-ω SST (shear stress transport) turbulence model.

PubMed

Yu, Hesheng; Thé, Jesse

2017-05-01

The dispersion of gaseous pollutant around buildings is complex due to complex turbulence features such as flow detachment and zones of high shear. Computational fluid dynamics (CFD) models are one of the most promising tools to describe the pollutant distribution in the near field of buildings. Reynolds-averaged Navier-Stokes (RANS) models are the most commonly used CFD techniques to address turbulence transport of the pollutant. This research work studies the use of [Formula: see text] closure model for the gas dispersion around a building by fully resolving the viscous sublayer for the first time. The performance of standard [Formula: see text] model is also included for comparison, along with results of an extensively validated Gaussian dispersion model, the U.S. Environmental Protection Agency (EPA) AERMOD (American Meteorological Society/U.S. Environmental Protection Agency Regulatory Model). This study's CFD models apply the standard [Formula: see text] and the [Formula: see text] turbulence models to obtain wind flow field. A passive concentration transport equation is then calculated based on the resolved flow field to simulate the distribution of pollutant concentrations. The resultant simulation of both wind flow and concentration fields are validated rigorously by extensive data using multiple validation metrics. The wind flow field can be acceptably modeled by the [Formula: see text] model. However, the [Formula: see text] model fails to simulate the gas dispersion. The [Formula: see text] model outperforms [Formula: see text] in both flow and dispersion simulations, with higher hit rates for dimensionless velocity components and higher "factor of 2" of observations (FAC2) for normalized concentration. All these validation metrics of [Formula: see text] model pass the quality assurance criteria recommended by The Association of German Engineers (Verein Deutscher Ingenieure, VDI) guideline. Furthermore, these metrics are better than or the same as those in the literature. Comparison between the performances of [Formula: see text] and AERMOD shows that the CFD simulation is superior to Gaussian-type model for pollutant dispersion in the near wake of obstacles. AERMOD can perform as a screening tool for near-field gas dispersion due to its expeditious calculation and the ability to handle complicated cases. The utilization of [Formula: see text] to simulate gaseous pollutant dispersion around an isolated building is appropriate and is expected to be suitable for complex urban environment. Multiple validation metrics of [Formula: see text] turbulence model in CFD quantitatively indicated that this turbulence model was appropriate for the simulation of gas dispersion around buildings. CFD is, therefore, an attractive alternative to wind tunnel for modeling gas dispersion in urban environment due to its excellent performance, and lower cost.

Schaben field, Kansas: Improving performance in a Mississippian shallow-shelf carbonate

USGS Publications Warehouse

Montgomery, S.L.; Franseen, E.K.; Bhattacharya, S.; Gerlach, P.; Byrnes, A.; Guy, W.; Carr, T.R.

2000-01-01

Schaben field (Kansas), located along the northeastern shelf of the Hugoton embayment, produces from Mississippian carbonates in erosional highs immediately beneath a regional unconformity. Production comes from depths of around 4400 ft (1342 m) in partially dolomitized shelf deposits. A detailed reservoir characterization/simulation study, recently performed as part of a Department of Energy Reservoir Class Oil Field Demonstration Project, has led to important revision in explanations for observed patterns of production. Cores recovered from three new data wells identify three main facies: Spicule-rich wackestone-packstone, echinoderm wackestone/packstone/grainstone, and dolomitic mudstone-wackestone. Reservoir quality is highest in spicule-rich wackestone/packstones but is subject to a very high degree of vertical heterogeneity due to facies interbedding, silification, and variable natural fracturing. The oil reservoir is underlain by an active aquifer, which helps maintain reservoir pressure but supports significant water production. Reservoir simulation, using public-domain, PC-based software, suggests that infill drilling is an efficient approach to enhanced recovery. Recent drilling directed by simulation results has shown considerable success in improving field production rates. Results from the Schaben field demonstration project are likely to have wide application for independent oil and exploration companies in western Kansas.Schaben field (Kansas), located along the northeastern shelf of the Hugoton embayment, produces from Mississippian carbonates in erosional highs immediately beneath a regional unconformity. Production comes from depths of around 4400 ft (1342 m) in partially dolomitized shelf deposits. A detailed reservoir characterization/simulation study, recently performed as part of a Department of Energy Reservoir Class Oil Field Demonstration Project, has led to important revision in explanations for observed patterns of production. Cores recovered from three new data wells identify three main facies: spicule-rich wackestone-packstone, echinoderm wackestone/packstone/grainstone, and dolomitic mudstone-wackestone. Reservoir quality is highest in spicule-rich wackestone/packstones but is subject to a very high degree of vertical heterogeneity due to facies interbedding, silification, and variable natural fracturing. The oil reservoir is underlain by an active aquifer, which helps maintain reservoir pressure but supports significant water production. Reservoir simulation, using public-domain, PC-based software, suggests that infill drilling is an efficient approach to enhanced recovery. Recent drilling directed by simulation results has shown considerable success in improving field production rates. Results from the Schaben field demonstration project are likely to have wide application for independent oil and exploration companies in western Kansas.

A Reference Field for GCR Simulation and an LET-Based Implementation at NSRL

NASA Technical Reports Server (NTRS)

Slaba, Tony C.; Blattnig, Steve R.; Walker, Steven A.; Norbury, John W.

2015-01-01

Exposure to galactic cosmic rays (GCR) on long duration deep space missions presents a serious health risk to astronauts, with large uncertainties connected to the biological response. In order to reduce the uncertainties and gain understanding about the basic mechanisms through which space radiation initiates cancer and other endpoints, radiobiology experiments are performed. Some of the accelerator facilities supporting such experiments have matured to a point where simulating the broad range of particles and energies characteristic of the GCR environment in a single experiment is feasible from a technology, usage, and cost perspective. In this work, several aspects of simulating the GCR environment in the laboratory are discussed. First, comparisons are made between direct simulation of the external, free space GCR field and simulation of the induced tissue field behind shielding. It is found that upper energy constraints at the NASA Space Radiation Laboratory (NSRL) limit the ability to simulate the external, free space field directly (i.e. shielding placed in the beam line in front of a biological target and exposed to a free space spectrum). Second, variation in the induced tissue field associated with shielding configuration and solar activity is addressed. It is found that the observed variation is within physical uncertainties, allowing a single reference field for deep space missions to be defined. Third, an approach for simulating the reference field at NSRL is presented. The approach allows for the linear energy transfer (LET) spectrum of the reference field to be approximately represented with discrete ion and energy beams and implicitly maintains a reasonably accurate charge spectrum (or, average quality factor). Drawbacks of the proposed methodology are discussed and weighed against alternative simulation strategies. The neutron component and track structure characteristics of the proposed strategy are discussed in this context.

An overview of the ENEA activities in the field of coupled codes NPP simulation

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

Parisi, C.; Negrenti, E.; Sepielli, M.

2012-07-01

In the framework of the nuclear research activities in the fields of safety, training and education, ENEA (the Italian National Agency for New Technologies, Energy and the Sustainable Development) is in charge of defining and pursuing all the necessary steps for the development of a NPP engineering simulator at the 'Casaccia' Research Center near Rome. A summary of the activities in the field of the nuclear power plants simulation by coupled codes is here presented with the long term strategy for the engineering simulator development. Specifically, results from the participation in international benchmarking activities like the OECD/NEA 'Kalinin-3' benchmark andmore » the 'AER-DYN-002' benchmark, together with simulations of relevant events like the Fukushima accident, are here reported. The ultimate goal of such activities performed using state-of-the-art technology is the re-establishment of top level competencies in the NPP simulation field in order to facilitate the development of Enhanced Engineering Simulators and to upgrade competencies for supporting national energy strategy decisions, the nuclear national safety authority, and the R and D activities on NPP designs. (authors)« less

MAGNETOHYDRODYNAMIC SIMULATION-DRIVEN KINEMATIC MEAN FIELD MODEL OF THE SOLAR CYCLE

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

Simard, Corinne; Charbonneau, Paul; Bouchat, Amelie, E-mail: corinne@astro.umontreal.ca, E-mail: paulchar@astro.umontreal.ca, E-mail: amelie.bouchat@mail.mcgill.ca

We construct a series of kinematic axisymmetric mean-field dynamo models operating in the {alpha}{Omega}, {alpha}{sup 2}{Omega} and {alpha}{sup 2} regimes, all using the full {alpha}-tensor extracted from a global magnetohydrodynamical simulation of solar convection producing large-scale magnetic fields undergoing solar-like cyclic polarity reversals. We also include an internal differential rotation profile produced in a purely hydrodynamical parent simulation of solar convection, and a simple meridional flow profile described by a single cell per meridional quadrant. An {alpha}{sup 2}{Omega} mean-field model, presumably closest to the mode of dynamo action characterizing the MHD simulation, produces a spatiotemporal evolution of magnetic fields thatmore » share some striking similarities with the zonally-averaged toroidal component extracted from the simulation. Comparison with {alpha}{sup 2} and {alpha}{Omega} mean-field models operating in the same parameter regimes indicates that much of the complexity observed in the spatiotemporal evolution of the large-scale magnetic field in the simulation can be traced to the turbulent electromotive force. Oscillating {alpha}{sup 2} solutions are readily produced, and show some similarities with the observed solar cycle, including a deep-seated toroidal component concentrated at low latitudes and migrating equatorward in the course of the solar cycle. Various numerical experiments performed using the mean-field models reveal that turbulent pumping plays an important role in setting the global characteristics of the magnetic cycles.« less

Brownian dynamics simulation of rigid particles of arbitrary shape in external fields.

PubMed

Fernandes, Miguel X; de la Torre, José García

2002-12-01

We have developed a Brownian dynamics simulation algorithm to generate Brownian trajectories of an isolated, rigid particle of arbitrary shape in the presence of electric fields or any other external agents. Starting from the generalized diffusion tensor, which can be calculated with the existing HYDRO software, the new program BROWNRIG (including a case-specific subprogram for the external agent) carries out a simulation that is analyzed later to extract the observable dynamic properties. We provide a variety of examples of utilization of this method, which serve as tests of its performance, and also illustrate its applicability. Examples include free diffusion, transport in an electric field, and diffusion in a restricting environment.

Numerical Analysis of the Acoustic Field of Tip-Clearance Flow

NASA Astrophysics Data System (ADS)

Alavi Moghadam, S. M.; M. Meinke Team; W. Schröder Team

2015-11-01

Numerical simulations of the acoustic field generated by a shrouded axial fan are studied by a hybrid fluid-dynamics-acoustics method. In a first step, large-eddy simulations are performed to investigate the dynamics of tip clearance flow for various tip gap sizes and to determine the acoustic sources. The simulations are performed for a single blade out of five blades with periodic boundary conditions in the circumferential direction on a multi-block structured mesh with 1.4 ×108 grid points. The turbulent flow is simulated at a Reynolds number of 9.36 ×105 at undisturbed inflow condition and the results are compared with experimental data. The diameter and strength of the tip vortex increase with the tip gap size, while simultaneously the efficiency of the fan decreases. In a second step, the acoustic field on the near field is determined by solving the acoustic perturbation equations (APE) on a mesh for a single blade consisting of approx. 9.8 ×108 grid points. The overall agreement of the pressure spectrum and its directivity with measurements confirm the correct identification of the sound sources and accurate prediction of the acoustic duct propagation. The results show that the longer the tip gap size the higher the broadband noise level. Senior Scientist, Institute of Aerodynamics, RWTH Aachen University.

Effects of valerian on subjective sedation, field sobriety testing and driving simulator performance.

PubMed

Thomas, Kelan; Canedo, Joanne; Perry, Paul J; Doroudgar, Shadi; Lopes, Ingrid; Chuang, Hannah Mae; Bohnert, Kimberly

2016-07-01

The availability of herbal medicines over-the-counter (OTC) has increased the use of natural products for self-treatment. Valerian has been used to effectively treat generalized anxiety disorder and insomnia. Studies suggest that valerenic acid may increase gamma-aminobutyric acid (GABA) modulation in the brain. Benzodiazepines have a similar mechanism of action and have been linked to an increased risk of hospitalizations due to traffic accidents. Despite the risk of somnolence, the safety of driving while under the influence of valerian remains unknown. The purpose of the study was to determine the effects of a one-time valerian 1600mg dose on subjective sedation effects, standardized field sobriety testing (SFST) and driving simulator performance parameters. The study design was a randomized, placebo-controlled, double-blind, cross-over trial. For each session, participants received either a dose of valerian or placebo. The outcome measures included a simple visual reaction test (SVRT), subjective sleepiness scales, SFST performance scores, and driving simulator performance parameters. There were no significant differences in the SVRT or sleepiness scales between placebo and valerian exposures, but the study may have been underpowered. SFST total and individual test failure rates were not significantly different between the two exposures. The driving simulator performance parameters were equivalent between the two exposure conditions. A one-time valerian 1600mg dose, often used to treat insomnia, does not appear to impair driving simulator performance after acute ingestion. Copyright © 2016 Elsevier Ltd. All rights reserved.

Computer-Based Simulation Systems and Role-Playing: An Effective Combination for Fostering Conditional Knowledge.

ERIC Educational Resources Information Center

Shlechter, Theodore M.; And Others

1992-01-01

Examines the effectiveness of SIMNET (Simulation Networking), a virtual reality training simulation system, combined with a program of role-playing activities for helping Army classes to master the conditional knowledge needed for successful field performance. The value of active forms of learning for promoting higher order cognitive thinking is…

Pilot/vehicle model analysis of visual and motion cue requirements in flight simulation. [helicopter hovering

NASA Technical Reports Server (NTRS)

Baron, S.; Lancraft, R.; Zacharias, G.

1980-01-01

The optimal control model (OCM) of the human operator is used to predict the effect of simulator characteristics on pilot performance and workload. The piloting task studied is helicopter hover. Among the simulator characteristics considered were (computer generated) visual display resolution, field of view and time delay.

Nucleic acids: theory and computer simulation, Y2K.

PubMed

Beveridge, D L; McConnell, K J

2000-04-01

Molecular dynamics simulations on DNA and RNA that include solvent are now being performed under realistic environmental conditions of water activity and salt. Improvements to force-fields and treatments of long-range interactions have significantly increased the reliability of simulations. New studies of sequence effects, axis bending, solvation and conformational transitions have appeared.

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

NASA Astrophysics Data System (ADS)

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

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

Simulation and Twins Observations of the 22 July 2009 Storm

NASA Technical Reports Server (NTRS)

Fok, M.-C.; Buzulukova, N.; Chen, S.-H.; Valek, P. W.; Goldstein, J.; McComas, D. J.

2011-01-01

TWINS is the first mission to perform stereo imaging of the Earth's ring current. The magnetic storm on 22 July 2009 was at the time the largest storm observed since TWINS began routine stereo imaging in June 2008. On 22 July 2009, the Dst dropped to nearly .80 nT at 0700 and 1000 UT. During the main phase, and at the peak of the storm, TWINS 1 and 2 were near apogee and moving between predawn and postdawn local time. The energetic neutral atom (ENA) imagers on the two spacecraft captured the storm intensification and the formation of the partial ring current. The peak of the high-altitude ENA emissions was seen in the midnight-to-dawn local time sector. The development of this storm has been simulated using the comprehensive ring current model (CRCM) to understand and interpret the observed signatures. We perform CRCM runs with constant and time-varying magnetic field. The model calculations are validated by comparing the simulated ENA and ion flux intensities with TWINS ENA images and in situ ion data from a THEMIS satellite. Simulation with a static magnetic field produces a strong shielding electric field that skews the ion drift trajectories toward dawn. The model's corresponding peak ENA emissions are always more eastward than those in the observed TWINS images. On the other hand, the simulation with a dynamic magnetic field gives better spatial agreement with both ENA and in situ particle data, suggesting that temporal variations of the geomagnetic field exert a significant influence upon global ring current ion dynamics.

Evaluation of General and Tailor Made Force Fields via X-ray Thermal Diffuse Scattering Using Molecular Dynamics and Monte Carlo Simulations of Crystalline Aspirin.

PubMed

Chan, Eric J; Neumann, Marcus A

2018-04-10

We have performed a comparison of the experimental thermal diffuse scattering (TDS) from crystalline Aspirin (form I) to that calculated from molecular dynamics (MD) simulations based on a variety of general force fields and a tailor-made force field (TMFF). A comparison is also made with Monte Carlo (MC) simulations which use a "harmonic network" approach to describe the intermolecular interactions. These comparisons were based on the hypothesis that TDS could be a useful experimental data in validation of such simulation parameter sets, especially when calculations of dynamical properties (e.g., thermodynamic free energies) from molecular crystals are concerned. Currently such a validation of force field parameters against experimental data is often limited to calculation of specific physical properties, e.g., absolute lattice energies usually at 0 K or heat capacity measurements. TDS harvested from in-house or synchrotron experiments comprises highly detailed structural information representative of the dynamical motions of the crystal lattice. Thus, TDS is a well-suited experimental data-driven means of cross validating theoretical approaches targeted at understanding dynamical properties of crystals. We found from the results of our investigation that the TMFF and COMPASS (from the commercial software "Materials Studio") parameter sets gave the best agreement with experiment. From our homologous MC simulation analysis we are able to show that force constants associated with the molecular torsion angles are likely to be a strong contributing factor for the apparent reason why these aforementioned force fields performed better.

Simulation of a shock tube with a small exit nozzle

NASA Astrophysics Data System (ADS)

Luan, Yigang; Olzmann, Matthias; Magagnato, Franco

2018-02-01

Shock tubes are frequently used to rapidly heat up reaction mixtures to study chemical reaction mechanisms and kinetics in the field of combustion chemistry [1]. In the present work, the flow field inside a shock tube with a small nozzle in the end plate has been investigated to support the analysis of reacting chemical mixtures with an attached mass spectrometer and to clarify whether the usual assumptions for the flow field and the related thermodynamics are fulfilled. In the present work, the details of the flow physics inside the tube and the flow out of the nozzle in the end plate have been investigated. Due to the large differences in the typical length scales and the large pressure ratios of this special device, a very strong numerical stiffness prevails during the simulation process. Second-order ROE numerical schemes have been employed to simulate the flow field inside the shock tube. The simulations were performed with the commercial code ANSYS Fluent [2]. Axial-symmetric boundary conditions are employed to reduce the consumption of CPU time. A density-based transient scheme has been used and validated in terms of accuracy and efficiency. The simulation results for pressure and density are compared with analytical solutions. Numerical results show that a density-based numerical scheme performs better when dealing with shock-tube problems [5]. The flow field near the nozzle is studied in detail, and the effects of the nozzle to pressure and temperature variations inside the tube are investigated. The results show that this special shock-tube setup can be used to study high-temperature gas-phase chemical reactions with reasonable accuracy.

The effect of the earth's and stray magnetic fields on mobile mass spectrometer systems.

PubMed

Bell, Ryan J; Davey, Nicholas G; Martinsen, Morten; Short, R Timothy; Gill, Chris G; Krogh, Erik T

2015-02-01

Development of small, field-portable mass spectrometers has enabled a rapid growth of in-field measurements on mobile platforms. In such in-field measurements, unexpected signal variability has been observed by the authors in portable ion traps with internal electron ionization. The orientation of magnetic fields (such as the Earth's) relative to the ionization electron beam trajectory can significantly alter the electron flux into a quadrupole ion trap, resulting in significant changes in the instrumental sensitivity. Instrument simulations and experiments were performed relative to the earth's magnetic field to assess the importance of (1) nonpoint-source electron sources, (2) vertical versus horizontal electron beam orientation, and (3) secondary magnetic fields created by the instrument itself. Electron lens focus effects were explored by additional simulations, and were paralleled by experiments performed with a mass spectrometer mounted on a rotating platform. Additionally, magnetically permeable metals were used to shield (1) the entire instrument from the Earth's magnetic field, and (2) the electron beam from both the Earth's and instrument's magnetic fields. Both simulation and experimental results suggest the predominant influence on directionally dependent signal variability is the result of the summation of two magnetic vectors. As such, the most effective method for reducing this effect is the shielding of the electron beam from both magnetic vectors, thus improving electron beam alignment and removing any directional dependency. The improved ionizing electron beam alignment also allows for significant improvements in overall instrument sensitivity.

Chiral magnetic effect in lattice QCD with a chiral chemical potential.

PubMed

Yamamoto, Arata

2011-07-15

We perform a first lattice QCD simulation including a two-flavor dynamical fermion with a chiral chemical potential. Because the chiral chemical potential gives rise to no sign problem, we can exactly analyze a chirally imbalanced QCD matter by Monte Carlo simulation. By applying an external magnetic field to this system, we obtain a finite induced current along the magnetic field, which corresponds to the chiral magnetic effect. The obtained induced current is proportional to the magnetic field and to the chiral chemical potential, which is consistent with an analytical prediction.

An RF phased array applicator designed for hyperthermia breast cancer treatments

PubMed Central

Wu, Liyong; McGough, Robert J; Arabe, Omar Ali; Samulski, Thaddeus V

2007-01-01

An RF phased array applicator has been constructed for hyperthermia treatments in the intact breast. This RF phased array consists of four antennas mounted on a Lexan water tank, and geometric focusing is employed so that each antenna points in the direction of the intended target. The operating frequency for this phased array is 140 MHz. The RF array has been characterized both by electric field measurements in a water tank and by electric field simulations using the finite-element method. The finite-element simulations are performed with HFSS software, where the mesh defined for finite-element calculations includes the geometry of the tank enclosure and four end-loaded dipole antennas. The material properties of the water tank enclosure and the antennas are also included in each simulation. The results of the finite-element simulations are compared to the measured values for this configuration, and the results, which include the effects of amplitude shading and phase shifting, show that the electric field predicted by finite-element simulations is similar to the measured field. Simulations also show that the contributions from standing waves are significant, which is consistent with measurement results. Simulated electric field and bio-heat transfer results are also computed within a simple 3D breast model. Temperature simulations show that, although peak temperatures are generated outside the simulated tumour target, this RF phased array applicator is an effective device for regional hyperthermia in the intact breast. PMID:16357427

Comparisons of observed seasonal climate features with a winter and summer numerical simulation produced with the GLAS general circulation model

NASA Technical Reports Server (NTRS)

Halem, M.; Shukla, J.; Mintz, Y.; Wu, M. L.; Godbole, R.; Herman, G.; Sud, Y.

1979-01-01

Results are presented from numerical simulations performed with the general circulation model (GCM) for winter and summer. The monthly mean simulated fields for each integration are compared with observed geographical distributions and zonal averages. In general, the simulated sea level pressure and upper level geopotential height field agree well with the observations. Well simulated features are the winter Aleutian and Icelandic lows, the summer southwestern U.S. low, the summer and winter oceanic subtropical highs in both hemispheres, and the summer upper level Tibetan high and Atlantic ridge. The surface and upper air wind fields in the low latitudes are in good agreement with the observations. The geographical distirbutions of the Earth-atmosphere radiation balance and of the precipitation rates over the oceans are well simulated, but not all of the intensities of these features are correct. Other comparisons are shown for precipitation along the ITCZ, rediation balance, zonally averaged temperatures and zonal winds, and poleward transports of momentum and sensible heat.

Assessment of simulation fidelity using measurements of piloting technique in flight. II

NASA Technical Reports Server (NTRS)

Ferguson, S. W.; Clement, W. F.; Hoh, R. H.; Cleveland, W. B.

1985-01-01

Two components of the Vertical Motion Simulator (presently being used to assess the fidelity of UH-60A simulation) are evaluated: (1) the dash/quickstop Nap-of-the-earth (NOE) piloting task, and (2) the bop-up task. Data from these two flight test experiments are presented which provide information on the effect of reduced visual field of view, variation in scene content and texture, and the affect of pure time delay in the closed-loop pilot response. In comparison with task performance results obtained in flight tests, the results from the simulation indicate that the pilot's NOE task performance in the simulator is significantly degraded.

Role of Magnetic Diffusion Induced by Turbulent Magnetic Reconnection for Star Formation

NASA Astrophysics Data System (ADS)

Lazarian, Alex; Santos de Lima, R.; de Gouveia Dal Pino, E.

2010-01-01

The diffusion of astrophysical magnetic fields in conducting fluids in the presence of turbulence depends on whether magnetic fields can change their topology or reconnect in highly conducting media. Recent progress in understanding fast magnetic reconnection in the presence of turbulence is reassuring that the magnetic field behavior in the computer simulations and turbulent astrophysical environments is similar, as far as the magnetic reconnection is concerned. This makes it meaningful to perform MHD simulations of turbulent flows in order to understand the diffusion of magnetic field in astrophysical environments. Our study of magnetic field diffusion reveals important propertie s of the process. First of all, our 3D MHD simulations initiated with anti-correlating magnetic field and gaseous density exhibit at later times a decorrelation of the magnetic field and density, which corresponds well to the observations of the interstellar media. In the presence of gravity, our 3D simulations show the decrease of the flux to mass ratio with density concentration when turbulence is present. We observe this effect both in the situations when we start with the equilibrium distributions of gas and magnetic field and when we start with collapsing dynamically unstable configurations. Thus the process of turbulent magnetic field removal should be applicable both to quasistatic subcritical molecular clouds and cores and violently collapsing supercritical entities. The increase of the gravitational potential as well as the magnetization of the gas increases the segregation of the mass and flux in the saturated final state of simulations, supporting the notion that turbulent diffusivity relaxes the magnetic field + gas system in the gravitational field to its minimal energy state. At the same time, turbulence of high level may get the system unbound making the flux to mass ratio more uniform through the simulation box.

The application of simulation modeling to the cost and performance ranking of solar thermal power plants

NASA Technical Reports Server (NTRS)

Rosenberg, L. S.; Revere, W. R.; Selcuk, M. K.

1981-01-01

Small solar thermal power systems (up to 10 MWe in size) were tested. The solar thermal power plant ranking study was performed to aid in experiment activity and support decisions for the selection of the most appropriate technological approach. The cost and performance were determined for insolation conditions by utilizing the Solar Energy Simulation computer code (SESII). This model optimizes the size of the collector field and energy storage subsystem for given engine generator and energy transport characteristics. The development of the simulation tool, its operation, and the results achieved from the analysis are discussed.

An active interference projector for the electro-optical test facility

NASA Astrophysics Data System (ADS)

Crowe, D. G.; Nowak, T. M.

1980-09-01

A projection system is described which can simulate emissions from flares, muzzle-flashes, shellbursts, and other emissive agents which may degrade the performance of electro-optical systems in the 0.5-15 micron spectral range. The simulation capability obtained will allow the apparent radiance and temporal characteristics of muzzleflashes and shellbursts to be mimicked at simulated ranges as close as 23 m within the Electro-Optical Test Facility. This demonstrates that tests of electro-optical system performance in the presence of interferers can be performed under laboratory conditions with higher repeatability and lower cost than field tests.

Ultrasound imaging based on nonlinear pressure field properties

NASA Astrophysics Data System (ADS)

Bouakaz, Ayache; Frinking, Peter J. A.; de Jong, Nico

2000-07-01

Ultrasound image quality has experienced a significant improvement over the past years with the utilization of harmonic frequencies. This brings the need to understand the physical processes involved in the propagation of finite amplitude sound beams, and the issues for redesigning and optimizing the phased array transducers. New arrays with higher imaging performances are essential for tissue imaging and contrast imaging as well. This study presents measurements and simulations on a 4.6 MHz square transducer. The numerical scheme used solves the KZK equation in the time domain. Comparison of measured and computed data showed good agreement for low and high excitation levels. In a similar way, a numerical simulation was performed on a linear array with five elements. The simulation showed that the second harmonic beam is narrower than the fundamental with less energy in the near field. In addition, the grating lobes are significantly lower. Accordingly, selective harmonic imaging shows less near field artifacts and will lower the clutter, resulting in much cleaner images.

Molecular dynamics simulations of polarizable DNA in crystal environment

NASA Astrophysics Data System (ADS)

Babin, Volodymyr; Baucom, Jason; Darden, Thomas A.; Sagui, Celeste

We have investigated the role of the electrostatic description and cell environment in molecular dynamics (MD) simulations of DNA. Multiple unrestrained MD simulations of the DNA duplex d(CCAACGTTGG)2 have been carried out using two different force fields: a traditional description based on atomic point charges and a polarizable force field. For the time scales probed, and given the ?right? distribution of divalent ions, the latter performs better than the nonpolarizable force field. In particular, by imposing the experimental unit cell environment, an initial configuration with ideal B-DNA duplexes in the unit cell acquires sequence-dependent features that very closely resemble the crystallographic ones. Simultaneously, the all-atom root-mean-square coordinates deviation (RMSD) with respect to the crystallographic structure is seen to decay. At later times, the polarizable force field is able to maintain this lower RMSD, while the nonpolarizable force field starts to drift away.

Scaling of graphene field-effect transistors supported on hexagonal boron nitride: radio-frequency stability as a limiting factor

NASA Astrophysics Data System (ADS)

Feijoo, Pedro C.; Pasadas, Francisco; Iglesias, José M.; Martín, María J.; Rengel, Raúl; Li, Changfeng; Kim, Wonjae; Riikonen, Juha; Lipsanen, Harri; Jiménez, David

2017-12-01

The quality of graphene in nanodevices has increased hugely thanks to the use of hexagonal boron nitride as a supporting layer. This paper studies to which extent hBN together with channel length scaling can be exploited in graphene field-effect transistors (GFETs) to get a competitive radio-frequency (RF) performance. Carrier mobility and saturation velocity were obtained from an ensemble Monte Carlo simulator that accounted for the relevant scattering mechanisms (intrinsic phonons, scattering with impurities and defects, etc). This information is fed into a self-consistent simulator, which solves the drift-diffusion equation coupled with the two-dimensional Poisson’s equation to take full account of short channel effects. Simulated GFET characteristics were benchmarked against experimental data from our fabricated devices. Our simulations show that scalability is supposed to bring to RF performance an improvement that is, however, highly limited by instability. Despite the possibility of a lower performance, a careful choice of the bias point can avoid instability. Nevertheless, maximum oscillation frequencies are still achievable in the THz region for channel lengths of a few hundreds of nanometers.

Simulations of extragalactic magnetic fields and of their observables

NASA Astrophysics Data System (ADS)

Vazza, F.; Brüggen, M.; Gheller, C.; Hackstein, S.; Wittor, D.; Hinz, P. M.

2017-12-01

The origin of extragalactic magnetic fields is still poorly understood. Based on a dedicated suite of cosmological magneto-hydrodynamical simulations with the ENZO code we have performed a survey of different models that may have caused present-day magnetic fields in galaxies and galaxy clusters. The outcomes of these models differ in cluster outskirts, filaments, sheets and voids and we use these simulations to find observational signatures of magnetogenesis. With these simulations, we predict the signal of extragalactic magnetic fields in radio observations of synchrotron emission from the cosmic web, in Faraday rotation, in the propagation of ultra high energy cosmic rays, in the polarized signal from fast radio bursts at cosmological distance and in spectra of distant blazars. In general, primordial scenarios in which present-day magnetic fields originate from the amplification of weak (⩽nG ) uniform seed fields result in more homogeneous and relatively easier to observe magnetic fields than astrophysical scenarios, in which present-day fields are the product of feedback processes triggered by stars and active galaxies. In the near future the best evidence for the origin of cosmic magnetic fields will most likely come from a combination of synchrotron emission and Faraday rotation observed at the periphery of large-scale structures.

Far-Field Acoustic Power Level and Performance Analyses of F31/A31 Open Rotor Model at Simulated Scaled Takeoff, Nominal Takeoff, and Approach Conditions: Technical Report I

NASA Technical Reports Server (NTRS)

Sree, Dave

2015-01-01

Far-field acoustic power level and performance analyses of open rotor model F31/A31 have been performed to determine its noise characteristics at simulated scaled takeoff, nominal takeoff, and approach flight conditions. The nonproprietary parts of the data obtained from experiments in 9- by 15-Foot Low-Speed Wind Tunnel (9?15 LSWT) tests were provided by NASA Glenn Research Center to perform the analyses. The tone and broadband noise components have been separated from raw test data by using a new data analysis tool. Results in terms of sound pressure levels, acoustic power levels, and their variations with rotor speed, angle of attack, thrust, and input shaft power have been presented and discussed. The effect of an upstream pylon on the noise levels of the model has been addressed. Empirical equations relating model's acoustic power level, thrust, and input shaft power have been developed. The far-field acoustic efficiency of the model is also determined for various simulated flight conditions. It is intended that the results presented in this work will serve as a database for comparison and improvement of other open rotor blade designs and also for validating open rotor noise prediction codes.

Coupled field effects in BWR stability simulations using SIMULATE-3K

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

Borkowski, J.; Smith, K.; Hagrman, D.

1996-12-31

The SIMULATE-3K code is the transient analysis version of the Studsvik advanced nodal reactor analysis code, SIMULATE-3. Recent developments have focused on further broadening the range of transient applications by refinement of core thermal-hydraulic models and on comparison with boiling water reactor (BWR) stability measurements performed at Ringhals unit 1, during the startups of cycles 14 through 17.

EFFECTS OF SIMULATED ACIDIC RAIN ON YIELDS OF FIELD-GROWN CROPS

EPA Science Inventory

Experiments were performed to determine the effects of simulated acidic rainfall on yields of radish (Raphanus sativa), garden beet (Beta vulgaris), kidney bean (Phaseolus vulgaris), and alfalfa (Medicago sativa) grown under standard agronomic practices. The experimental design a...

Studies of aggregated nanoparticles steering during magnetic-guided drug delivery in the blood vessels

NASA Astrophysics Data System (ADS)

Hoshiar, Ali Kafash; Le, Tuan-Anh; Amin, Faiz Ul; Kim, Myeong Ok; Yoon, Jungwon

2017-04-01

Magnetic-guided targeted drug delivery (TDD) systems can enhance the treatment of diverse diseases. Despite the potential and promising results of nanoparticles, aggregation prevents precise particle guidance in the vasculature. In this study, we developed a simulation platform to investigate aggregation during steering of nanoparticles using a magnetic field function. The magnetic field function (MFF) comprises a positive and negative pulsed magnetic field generated by electromagnetic coils, which prevents adherence of particles to the vessel wall during magnetic guidance. A commonly used Y-shaped vessel was simulated and the performance of the MFF analyzed; the experimental data were in agreement with the simulation results. Moreover, the effects of various parameters on magnetic guidance were evaluated and the most influential identified. The simulation results presented herein will facilitate more precise guidance of nanoparticles in vivo.

Simulation of the Flow Field Associated with a Rocket Thruster Having an Attached Panel

NASA Technical Reports Server (NTRS)

Davoudzadeh, Farhad; Liu, Nan-Suey

2003-01-01

Two-dimensional inviscid and viscous numerical simulations are performed to predict the flow field induced by a H2-O2 rocket thruster and to provide insight into the heat load on the articles placed in the hot gas exhaust of the thruster under a variety of operating conditions, using the National Combustion Code (NCC). The simulations have captured physical details of the flow field, such as the plume formation and expansion, formation of the shock waves and their effects on the temperature and pressure distributions on the walls of the apparatus and the flat panel. Comparison between the computed results for 2-D and adiabatic walls and the related experimental measurements for 3-D and cooled walls shows that the results of the simulations are consistent with those obtained from the related rig tests.

Route complexity and simulated physical ageing negatively influence wayfinding.

PubMed

Zijlstra, Emma; Hagedoorn, Mariët; Krijnen, Wim P; van der Schans, Cees P; Mobach, Mark P

2016-09-01

The aim of this age-simulation field experiment was to assess the influence of route complexity and physical ageing on wayfinding. Seventy-five people (aged 18-28) performed a total of 108 wayfinding tasks (i.e., 42 participants performed two wayfinding tasks and 33 performed one wayfinding task), of which 59 tasks were performed wearing gerontologic ageing suits. Outcome variables were wayfinding performance (i.e., efficiency and walking speed) and physiological outcomes (i.e., heart and respiratory rates). Analysis of covariance showed that persons on more complex routes (i.e., more floor and building changes) walked less efficiently than persons on less complex routes. In addition, simulated elderly participants perform worse in wayfinding than young participants in terms of speed (p < 0.001). Moreover, a linear mixed model showed that simulated elderly persons had higher heart rates and respiratory rates compared to young people during a wayfinding task, suggesting that simulated elderly consumed more energy during this task. Copyright © 2016 Elsevier Ltd. All rights reserved.

CFD simulation of coaxial injectors

NASA Technical Reports Server (NTRS)

Landrum, D. Brian

1993-01-01

The development of improved performance models for the Space Shuttle Main Engine (SSME) is an important, ongoing program at NASA MSFC. These models allow prediction of overall system performance, as well as analysis of run-time anomalies which might adversely affect engine performance or safety. Due to the complexity of the flow fields associated with the SSME, NASA has increasingly turned to Computational Fluid Dynamics (CFD) techniques as modeling tools. An important component of the SSME system is the fuel preburner, which consists of a cylindrical chamber with a plate containing 264 coaxial injector elements at one end. A fuel rich mixture of gaseous hydrogen and liquid oxygen is injected and combusted in the chamber. This process preheats the hydrogen fuel before it enters the main combustion chamber, powers the hydrogen turbo-pump, and provides a heat dump for nozzle cooling. Issues of interest include the temperature and pressure fields at the turbine inlet and the thermal compatibility between the preburner chamber and injector plate. Performance anomalies can occur due to incomplete combustion, blocked injector ports, etc. The performance model should include the capability to simulate the effects of these anomalies. The current approach to the numerical simulation of the SSME fuel preburner flow field is to use a global model based on the MSFC sponsored FNDS code. This code does not have the capabilities of modeling several aspects of the problem such as detailed modeling of the coaxial injectors. Therefore, an effort has been initiated to develop a detailed simulation of the preburner coaxial injectors and provide gas phase boundary conditions just downstream of the injector face as input to the FDNS code. This simulation should include three-dimensional geometric effects such as proximity of injectors to baffles and chamber walls and interaction between injectors. This report describes an investigation into the numerical simulation of GH2/LOX coaxial injectors. The following sections will discuss the physical aspects of injectors, the CFD code employed, and preliminary results of a simulation of a single coaxial injector for which experimental data is available. It is hoped that this work will lay the foundation for the development of a unique and useful tool to support the SSME program.

Development and application of incrementally complex tools for wind turbine aerodynamics

NASA Astrophysics Data System (ADS)

Gundling, Christopher H.

Advances and availability of computational resources have made wind farm design using simulation tools a reality. Wind farms are battling two issues, affecting the cost of energy, that will make or break many future investments in wind energy. The most significant issue is the power reduction of downstream turbines operating in the wake of upstream turbines. The loss of energy from wind turbine wakes is difficult to predict and the underestimation of energy losses due to wakes has been a common problem throughout the industry. The second issue is a shorter lifetime of blades and past failures of gearboxes due to increased fluctuations in the unsteady loading of waked turbines. The overall goal of this research is to address these problems by developing a platform for a multi-fidelity wind turbine aerodynamic performance and wake prediction tool. Full-scale experiments in the field have dramatically helped researchers understand the unique issues inside a large wind farm, but experimental methods can only be used to a limited extent due to the cost of such field studies and the size of wind farms. The uncertainty of the inflow is another inherent drawback of field experiments. Therefore, computational fluid dynamics (CFD) predictions, strategically validated using carefully performed wind farm field campaigns, are becoming a more standard design practice. The developed CFD models include a blade element model (BEM) code with a free-vortex wake, an actuator disk or line based method with large eddy simulations (LES) and a fully resolved rotor based method with detached eddy simulations (DES) and adaptive mesh refinement (AMR). To create more realistic simulations, performance of a one-way coupling between different mesoscale atmospheric boundary layer (ABL) models and the three microscale CFD solvers is tested. These methods are validated using data from incrementally complex test cases that include the NREL Phase VI wind tunnel test, the Sexbierum wind farm and the Lillgrund offshore wind farm. By cross-comparing the lowest complexity free-vortex method with the higher complexity methods, a fast and accurate simulation tool has been generated that can perform wind farm simulations in a few hours.

Molecular dynamics simulations of fluid cyclopropane with MP2/CBS-fitted intermolecular interaction potentials

NASA Astrophysics Data System (ADS)

Ho, Yen-Ching; Wang, Yi-Siang; Chao, Sheng D.

2017-08-01

Modeling fluid cycloalkanes with molecular dynamics simulations has proven to be a very challenging task partly because of lacking a reliable force field based on quantum chemistry calculations. In this paper, we construct an ab initio force field for fluid cyclopropane using the second-order Møller-Plesset perturbation theory. We consider 15 conformers of the cyclopropane dimer for the orientation sampling. Single-point energies at important geometries are calibrated by the coupled cluster with single, double, and perturbative triple excitation method. Dunning's correlation consistent basis sets (up to aug-cc-pVTZ) are used in extrapolating the interaction energies at the complete basis set limit. The force field parameters in a 9-site Lennard-Jones model are regressed by the calculated interaction energies without using empirical data. With this ab initio force field, we perform molecular dynamics simulations of fluid cyclopropane and calculate both the structural and dynamical properties. We compare the simulation results with those using an empirical force field and obtain a quantitative agreement for the detailed atom-wise radial distribution functions. The experimentally observed gross radial distribution function (extracted from the neutron scattering measurements) is well reproduced in our simulation. Moreover, the calculated self-diffusion coefficients and shear viscosities are in good agreement with the experimental data over a wide range of thermodynamic conditions. To the best of our knowledge, this is the first ab initio force field which is capable of competing with empirical force fields for simulating fluid cyclopropane.

Magnetohydrodynamic Modeling of Solar Coronal Dynamics with an Initial Non-force-free Magnetic Field

NASA Astrophysics Data System (ADS)

Prasad, A.; Bhattacharyya, R.; Kumar, Sanjay

2017-05-01

The magnetic fields in the solar corona are generally neither force-free nor axisymmetric and have complex dynamics that are difficult to characterize. Here we simulate the topological evolution of solar coronal magnetic field lines (MFLs) using a magnetohydrodynamic model. The simulation is initialized with a non-axisymmetric non-force-free magnetic field that best correlates with the observed vector magnetograms of solar active regions (ARs). To focus on these ideas, simulations are performed for the flaring AR 11283 noted for its complexity and well-documented dynamics. The simulated dynamics develops as the initial Lorentz force pushes the plasma and facilitates successive magnetic reconnections at the two X-type null lines present in the initial field. Importantly, the simulation allows for the spontaneous development of mass flow, unique among contemporary works, that preferentially reconnects field lines at one of the X-type null lines. Consequently, a flux rope consisting of low-lying twisted MFLs, which approximately traces the major polarity inversion line, undergoes an asymmetric monotonic rise. The rise is attributed to a reduction in the magnetic tension force at the region overlying the rope, resulting from the reconnection. A monotonic rise of the rope is in conformity with the standard scenario of flares. Importantly, the simulated dynamics leads to bifurcations of the flux rope, which, being akin to the observed filament bifurcation in AR 11283, establishes the appropriateness of the initial field in describing ARs.

Magnetohydrodynamic Modeling of Solar Coronal Dynamics with an Initial Non-force-free Magnetic Field

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

Prasad, A.; Bhattacharyya, R.; Kumar, Sanjay

The magnetic fields in the solar corona are generally neither force-free nor axisymmetric and have complex dynamics that are difficult to characterize. Here we simulate the topological evolution of solar coronal magnetic field lines (MFLs) using a magnetohydrodynamic model. The simulation is initialized with a non-axisymmetric non-force-free magnetic field that best correlates with the observed vector magnetograms of solar active regions (ARs). To focus on these ideas, simulations are performed for the flaring AR 11283 noted for its complexity and well-documented dynamics. The simulated dynamics develops as the initial Lorentz force pushes the plasma and facilitates successive magnetic reconnections atmore » the two X-type null lines present in the initial field. Importantly, the simulation allows for the spontaneous development of mass flow, unique among contemporary works, that preferentially reconnects field lines at one of the X-type null lines. Consequently, a flux rope consisting of low-lying twisted MFLs, which approximately traces the major polarity inversion line, undergoes an asymmetric monotonic rise. The rise is attributed to a reduction in the magnetic tension force at the region overlying the rope, resulting from the reconnection. A monotonic rise of the rope is in conformity with the standard scenario of flares. Importantly, the simulated dynamics leads to bifurcations of the flux rope, which, being akin to the observed filament bifurcation in AR 11283, establishes the appropriateness of the initial field in describing ARs.« less

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.

Two-step simulation of velocity and passive scalar mixing at high Schmidt number in turbulent jets

NASA Astrophysics Data System (ADS)

Rah, K. Jeff; Blanquart, Guillaume

2016-11-01

Simulation of passive scalar in the high Schmidt number turbulent mixing process requires higher computational cost than that of velocity fields, because the scalar is associated with smaller length scales than velocity. Thus, full simulation of both velocity and passive scalar with high Sc for a practical configuration is difficult to perform. In this work, a new approach to simulate velocity and passive scalar mixing at high Sc is suggested to reduce the computational cost. First, the velocity fields are resolved by Large Eddy Simulation (LES). Then, by extracting the velocity information from LES, the scalar inside a moving fluid blob is simulated by Direct Numerical Simulation (DNS). This two-step simulation method is applied to a turbulent jet and provides a new way to examine a scalar mixing process in a practical application with smaller computational cost. NSF, Samsung Scholarship.

Particle-in-cell simulations of Hall plasma thrusters

NASA Astrophysics Data System (ADS)

Miranda, Rodrigo; Ferreira, Jose Leonardo; Martins, Alexandre

2016-07-01

Hall plasma thrusters can be modelled using particle-in-cell (PIC) simulations. In these simulations, the plasma is described by a set of equations which represent a coupled system of charged particles and electromagnetic fields. The fields are computed using a spatial grid (i.e., a discretization in space), whereas the particles can move continuously in space. Briefly, the particle and fields dynamics are computed as follows. First, forces due to electric and magnetic fields are employed to calculate the velocities and positions of particles. Next, the velocities and positions of particles are used to compute the charge and current densities at discrete positions in space. Finally, these densities are used to solve the electromagnetic field equations in the grid, which are interpolated at the position of the particles to obtain the acting forces, and restart this cycle. We will present numerical simulations using software for PIC simulations to study turbulence, wave and instabilities that arise in Hall plasma thrusters. We have sucessfully reproduced a numerical simulation of a SPT-100 Hall thruster using a two-dimensional (2D) model. In addition, we are developing a 2D model of a cylindrical Hall thruster. The results of these simulations will contribute to improve the performance of plasma thrusters to be used in Cubesats satellites currenty in development at the Plasma Laboratory at University of Brasília.

Current induced perpendicular-magnetic-anisotropy racetrack memory with magnetic field assistance

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

Zhang, Y.; Klein, J.-O.; Chappert, C.

2014-01-20

High current density is indispensable to shift domain walls (DWs) in magnetic nanowires, which limits the using of racetrack memory (RM) for low power and high density purposes. In this paper, we present perpendicular-magnetic-anisotropy (PMA) Co/Ni RM with global magnetic field assistance, which lowers the current density for DW motion. By using a compact model of PMA RM and 40 nm design kit, we perform mixed simulation to validate the functionality of this structure and analyze its density potential. Stochastic DW motion behavior has been taken into account and statistical Monte-Carlo simulations are carried out to evaluate its reliability performance.

Output factor determination based on Monte Carlo simulation for small cone field in 10-MV photon beam.

PubMed

Fukata, Kyohei; Sugimoto, Satoru; Kurokawa, Chie; Saito, Akito; Inoue, Tatsuya; Sasai, Keisuke

2018-06-01

The difficulty of measuring output factor (OPF) in a small field has been frequently discussed in recent publications. This study is aimed to determine the OPF in a small field using 10-MV photon beam and stereotactic conical collimator (cone). The OPF was measured by two diode detectors (SFD, EDGE detector) and one micro-ion chamber (PinPoint 3D chamber) in a water phantom. A Monte Carlo simulation using simplified detector model was performed to obtain the correction factor for the detector measurements. About 12% OPF difference was observed in the measurement at the smallest field (7.5 mm diameter) for EDGE detector and PinPoint 3D chamber. By applying the Monte Carlo-based correction factor to the measurement, the maximum discrepancy among the three detectors was reduced to within 3%. The results indicate that determination of OPF in a small field should be carefully performed. Especially, detector choice and appropriate correction factor application are very important in this regard.

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.

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

Shi, E. L.; Hammett, G. W.; Stoltzfus-Dueck, T.

Here, five-dimensional gyrokinetic continuum simulations of electrostatic plasma turbulence in a straight, open-field-line geometry have been performed using a full- discontinuous-Galerkin approach implemented in the Gkeyll code. While various simplifications have been used for now, such as long-wavelength approximations in the gyrokinetic Poisson equation and the Hamiltonian, these simulations include the basic elements of a fusion-device scrape-off layer: localised sources to model plasma outflow from the core, cross-field turbulent transport, parallel flow along magnetic field lines, and parallel losses at the limiter or divertor with sheath-model boundary conditions. The set of sheath-model boundary conditions used in the model allows currentsmore » to flow through the walls. In addition to details of the numerical approach, results from numerical simulations of turbulence in the Large Plasma Device, a linear device featuring straight magnetic field lines, are presented.« less

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

van den Berg, R.; Brandino, G. P.; El Araby, O.

In this study, we introduce an integrability-based method enabling the study of semiconductor quantum dot models incorporating both the full hyperfine interaction as well as a mean-field treatment of dipole-dipole interactions in the nuclear spin bath. By performing free induction decay and spin echo simulations we characterize the combined effect of both types of interactions on the decoherence of the electron spin, for external fields ranging from low to high values. We show that for spin echo simulations the hyperfine interaction is the dominant source of decoherence at short times for low fields, and competes with the dipole-dipole interactions atmore » longer times. On the contrary, at high fields the main source of decay is due to the dipole-dipole interactions. In the latter regime an asymmetry in the echo is observed. Furthermore, the non-decaying fraction previously observed for zero field free induction decay simulations in quantum dots with only hyperfine interactions, is destroyed for longer times by the mean-field treatment of the dipolar interactions.« less

Competing interactions in semiconductor quantum dots

DOE PAGES

van den Berg, R.; Brandino, G. P.; El Araby, O.; ...

2014-10-14

In this study, we introduce an integrability-based method enabling the study of semiconductor quantum dot models incorporating both the full hyperfine interaction as well as a mean-field treatment of dipole-dipole interactions in the nuclear spin bath. By performing free induction decay and spin echo simulations we characterize the combined effect of both types of interactions on the decoherence of the electron spin, for external fields ranging from low to high values. We show that for spin echo simulations the hyperfine interaction is the dominant source of decoherence at short times for low fields, and competes with the dipole-dipole interactions atmore » longer times. On the contrary, at high fields the main source of decay is due to the dipole-dipole interactions. In the latter regime an asymmetry in the echo is observed. Furthermore, the non-decaying fraction previously observed for zero field free induction decay simulations in quantum dots with only hyperfine interactions, is destroyed for longer times by the mean-field treatment of the dipolar interactions.« less

DNA Polymorphism: A Comparison of Force Fields for Nucleic Acids

PubMed Central

Reddy, Swarnalatha Y.; Leclerc, Fabrice; Karplus, Martin

2003-01-01

The improvements of the force fields and the more accurate treatment of long-range interactions are providing more reliable molecular dynamics simulations of nucleic acids. The abilities of certain nucleic acid force fields to represent the structural and conformational properties of nucleic acids in solution are compared. The force fields are AMBER 4.1, BMS, CHARMM22, and CHARMM27; the comparison of the latter two is the primary focus of this paper. The performance of each force field is evaluated first on its ability to reproduce the B-DNA decamer d(CGATTAATCG)2 in solution with simulations in which the long-range electrostatics were treated by the particle mesh Ewald method; the crystal structure determined by Quintana et al. (1992) is used as the starting point for all simulations. A detailed analysis of the structural and solvation properties shows how well the different force fields can reproduce sequence-specific features. The results are compared with data from experimental and previous theoretical studies. PMID:12609851

Rigorous numerical modeling of scattering-type scanning near-field optical microscopy and spectroscopy

NASA Astrophysics Data System (ADS)

Chen, Xinzhong; Lo, Chiu Fan Bowen; Zheng, William; Hu, Hai; Dai, Qing; Liu, Mengkun

2017-11-01

Over the last decade, scattering-type scanning near-field optical microscopy and spectroscopy have been widely used in nano-photonics and material research due to their fine spatial resolution and broad spectral range. A number of simplified analytical models have been proposed to quantitatively understand the tip-scattered near-field signal. However, a rigorous interpretation of the experimental results is still lacking at this stage. Numerical modelings, on the other hand, are mostly done by simulating the local electric field slightly above the sample surface, which only qualitatively represents the near-field signal rendered by the tip-sample interaction. In this work, we performed a more comprehensive numerical simulation which is based on realistic experimental parameters and signal extraction procedures. By directly comparing to the experiments as well as other simulation efforts, our methods offer a more accurate quantitative description of the near-field signal, paving the way for future studies of complex systems at the nanoscale.

Divergence-Free SPH for Incompressible and Viscous Fluids.

PubMed

Bender, Jan; Koschier, Dan

2017-03-01

In this paper we present a novel Smoothed Particle Hydrodynamics (SPH) method for the efficient and stable simulation of incompressible fluids. The most efficient SPH-based approaches enforce incompressibility either on position or velocity level. However, the continuity equation for incompressible flow demands to maintain a constant density and a divergence-free velocity field. We propose a combination of two novel implicit pressure solvers enforcing both a low volume compression as well as a divergence-free velocity field. While a compression-free fluid is essential for realistic physical behavior, a divergence-free velocity field drastically reduces the number of required solver iterations and increases the stability of the simulation significantly. Thanks to the improved stability, our method can handle larger time steps than previous approaches. This results in a substantial performance gain since the computationally expensive neighborhood search has to be performed less frequently. Moreover, we introduce a third optional implicit solver to simulate highly viscous fluids which seamlessly integrates into our solver framework. Our implicit viscosity solver produces realistic results while introducing almost no numerical damping. We demonstrate the efficiency, robustness and scalability of our method in a variety of complex simulations including scenarios with millions of turbulent particles or highly viscous materials.

Comparison of electric field exposure monitoring instrumentation. Final report

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

Bracken, T.D.

1985-06-01

Electric field exposure monitoring instrumentation was compared and evaluated during three days of tests performed in 60-Hz electric fields. A conducting vest exposure meter and a small electric field exposure meter (EFEM) located in a shirt pocket, arm band or hard hat were compared in a series of static and dynamic tests. In some tests, the devices were worn simultaneously without interference to provide separate measures of identical exposure. Tests with stationary subjects wearing the instruments were used to measure the effects of grounding, and to establish the meter response in a standard posture for each subject. Dynamic occupational exposuremore » simulations were used to compare accumulated measurements of exposure between instruments and to compare measurements with predicted exposures. The simulations were based on analysis of the work-related behavior of substation electricians and operators. Electrician's tasks at ground level and in a bucket truck were simulated near an energized test line. A simulated substation inspection was performed in a 230 kV substation. The exposure measurements demonstrated an overall consistency between the meters. The vest demonstrated less intersubject variability and less detailed exposure characterization. Measurements with the shirt pocket EFEM were below those made with the vest and with the EFEM in other locations. Insulation provided by shoe soles appeared to be the largest factor in reducing measured exposures during the substation inspection below those predicted from the unperturbed field. Improvements in meter design and additional measurements are suggested. 11 refs., 20 figs., 28 tabs.« less

MHD Simulation for Investigating the Dynamic State Transition Responsible for a Solar Eruption in Active Region 12158

NASA Astrophysics Data System (ADS)

Lee, Hwanhee; Magara, Tetsuya

2018-06-01

We present a magnetohydrodynamic model of solar eruption based on the dynamic state transition from the quasi-static state to the eruptive state of an active region (AR) magnetic field. For the quasi-static state before an eruption, we consider the existence of a slow solar wind originating from an AR, which may continuously make the AR magnetic field deviate from mechanical equilibrium. In this model, we perform a three-dimensional magnetohydrodynamic simulation of AR 12158 producing a coronal mass ejection, where the initial magnetic structure of the simulation is given by a nonlinear force-free field derived from an observed photospheric vector magnetic field. We then apply a pressure-driven outflow to the upper part of the magnetic structure to achieve a quasi-static pre-eruptive state. The simulation shows that the eruptive process observed in this AR may be caused by the dynamic state transition of an AR magnetic field, which is essentially different from the destabilization of a static magnetic field. The dynamic state transition is determined from the shape evolution of the magnetic field line according to the κH-mechanism. This work demonstrates how the mechanism works to produce a solar eruption in the dynamic solar corona governed by the gravitational field and the continuous outflows of solar wind.

A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation

NASA Astrophysics Data System (ADS)

Saez, David Adrian; Vöhringer-Martinez, Esteban

2015-10-01

S-Adenosylmethionine (AdoMet) is involved in many biological processes as cofactor in enzymes transferring its sulfonium methyl group to various substrates. Additionally, it is used as drug and nutritional supplement to reduce the pain in osteoarthritis and against depression. Due to the biological relevance of AdoMet it has been part of various computational simulation studies and will also be in the future. However, to our knowledge no rigorous force field parameter development for its simulation in biological systems has been reported. Here, we use electronic structure calculations combined with molecular dynamics simulations in explicit solvent to develop force field parameters compatible with the AMBER99 force field. Additionally, we propose new dynamic Hirshfeld-I atomic charges which are derived from the polarized electron density of AdoMet in aqueous solution to describe its electrostatic interactions in biological systems. The validation of the force field parameters and the atomic charges is performed against experimental interproton NOE distances of AdoMet in aqueous solution and crystal structures of AdoMet in the cavity of three representative proteins.

Direct folding simulation of helical proteins using an effective polarizable bond force field.

PubMed

Duan, Lili; Zhu, Tong; Ji, Changge; Zhang, Qinggang; Zhang, John Z H

2017-06-14

We report a direct folding study of seven helical proteins (, Trpcage, , C34, N36, , ) ranging from 17 to 53 amino acids through standard molecular dynamics simulations using a recently developed polarizable force field-Effective Polarizable Bond (EPB) method. The backbone RMSDs, radius of gyrations, native contacts and native helix content are in good agreement with the experimental results. Cluster analysis has also verified that these folded structures with the highest population are in good agreement with their corresponding native structures for these proteins. In addition, the free energy landscape of seven proteins in the two dimensional space comprised of RMSD and radius of gyration proved that these folded structures are indeed of the lowest energy conformations. However, when the corresponding simulations were performed using the standard (nonpolarizable) AMBER force fields, no stable folded structures were observed for these proteins. Comparison of the simulation results based on a polarizable EPB force field and a nonpolarizable AMBER force field clearly demonstrates the importance of polarization in the folding of stable helical structures.

Field development planning using simulated annealing - optimal economic well scheduling and placement

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

Beckner, B.L.; Xong, X.

1995-12-31

A method for optimizing the net present value of a full field development by varying the placement and sequence of production wells is presented. This approach is automated and combines an economics package and Mobil`s in-house simulator, PEGASUS, within a simulated annealing optimization engine. A novel framing of the well placement and scheduling problem as a classic {open_quotes}travelling salesman problem{close_quotes} is required before optimization via simulated annealing can be applied practically. An example of a full field development using this technique shows that non-uniform well spacings are optimal (from an NPV standpoint) when the effects of well interference and variablemore » reservoir properties are considered. Examples of optimizing field NPV with variable well costs also show that non-uniform wells spacings are optimal. Project NPV increases of 25 to 30 million dollars were shown using the optimal, nonuniform development versus reasonable, uniform developments. The ability of this technology to deduce these non-uniform well spacings opens up many potential applications that should materially impact the economic performance of field developments.« less

Adaptive quantum computation in changing environments using projective simulation

NASA Astrophysics Data System (ADS)

Tiersch, M.; Ganahl, E. J.; Briegel, H. J.

2015-08-01

Quantum information processing devices need to be robust and stable against external noise and internal imperfections to ensure correct operation. In a setting of measurement-based quantum computation, we explore how an intelligent agent endowed with a projective simulator can act as controller to adapt measurement directions to an external stray field of unknown magnitude in a fixed direction. We assess the agent’s learning behavior in static and time-varying fields and explore composition strategies in the projective simulator to improve the agent’s performance. We demonstrate the applicability by correcting for stray fields in a measurement-based algorithm for Grover’s search. Thereby, we lay out a path for adaptive controllers based on intelligent agents for quantum information tasks.

Adaptive quantum computation in changing environments using projective simulation

PubMed Central

Tiersch, M.; Ganahl, E. J.; Briegel, H. J.

2015-01-01

Quantum information processing devices need to be robust and stable against external noise and internal imperfections to ensure correct operation. In a setting of measurement-based quantum computation, we explore how an intelligent agent endowed with a projective simulator can act as controller to adapt measurement directions to an external stray field of unknown magnitude in a fixed direction. We assess the agent’s learning behavior in static and time-varying fields and explore composition strategies in the projective simulator to improve the agent’s performance. We demonstrate the applicability by correcting for stray fields in a measurement-based algorithm for Grover’s search. Thereby, we lay out a path for adaptive controllers based on intelligent agents for quantum information tasks. PMID:26260263

Evaluation of a Eulerian and Lagrangian air quality model using perfluorocarbon tracers released in Texas for the BRAVO haze study

NASA Astrophysics Data System (ADS)

Schichtel, Bret A.; Barna, Michael G.; Gebhart, Kristi A.; Malm, William C.

The Big Bend Regional Aerosol and Visibility Observational (BRAVO) study was designed to determine the sources of haze at Big Bend National Park, Texas, using a combination of source and receptor models. BRAVO included an intensive monitoring campaign from July to October 1999 that included the release of perfluorocarbon tracers from four locations at distances 230-750 km from Big Bend and measured at 24 sites. The tracer measurements near Big Bend were used to evaluate the dispersion mechanisms in the REMSAD Eulerian model and the CAPITA Monte Carlo (CMC) Lagrangian model used in BRAVO. Both models used 36 km MM5 wind fields as input. The CMC model also used a combination of routinely available 80 and 190 km wind fields from the National Weather Service's National Centers for Environmental Prediction (NCEP) as input. A model's performance is limited by inherent uncertainties due to errors in the tracer concentrations and a model's inability to simulate sub-resolution variability. A range in the inherent uncertainty was estimated by comparing tracer data at nearby monitoring sites. It was found that the REMSAD and CMC models, using the MM5 wind field, produced performance statistics generally within this inherent uncertainty. The CMC simulation using the NCEP wind fields could reproduce the timing of tracer impacts at Big Bend, but not the concentration values, due to a systematic underestimation. It appears that the underestimation was partly due to excessive vertical dilution from high mixing depths. The model simulations were more sensitive to the input wind fields than the models' different dispersion mechanisms. Comparisons of REMSAD to CMC tracer simulations using the MM5 wind fields had correlations between 0.75 and 0.82, depending on the tracer, but the tracer simulations using the two wind fields in the CMC model had correlations between 0.37 and 0.5.

Effects of Mass Flow Rate on the Thermal-Flow Characteristics of Microwave CO2 Plasma.

PubMed

Hong, Chang-Ki; Na, Young-Ho; Uhm, Han-Sup; Kim, Youn-Jea

2015-03-01

In this study, the thermal-flow characteristics of atmospheric pressure microwave CO2 plasma were numerically investigated by simulation. The electric and gas flow fields in the reaction chamber with a microwave axial injection torch operated at 2.45 GHz were simulated. The microwave launcher had the standard rectangular waveguide WR340 geometry. The simulation was performed by using the COMSOL Multiphysics plasma model with various mass flow rates of CO2. The electric fields, temperature profiles and the density of electrons were graphically depicted for different CO2 inlet mass flow rates.

Dual-scale phase-field simulation of Mg-Al alloy solidification

NASA Astrophysics Data System (ADS)

Monas, A.; Shchyglo, O.; Höche, D.; Tegeler, M.; Steinbach, I.

2015-06-01

Phase-field simulations of the nucleation and growth of primary α-Mg phase as well as secondary, β-phase of a Mg-Al alloy are presented. The nucleation model for α- and β-Mg phases is based on the “free growth model” by Greer et al.. After the α-Mg phase solidification we study a divorced eutectic growth of α- and β-Mg phases in a zoomed in melt channel between α-phase dendrites. The simulated cooling curves and final microstructures of α-grains are compared with experiments. In order to further enhance the resolution of the interdendritic region a high-performance computing approach has been used allowing significant simulation speed gain when using supercomputing facilities.

Evaluating the Performance of the ff99SB Force Field Based on NMR Scalar Coupling Data

PubMed Central

Wickstrom, Lauren; Okur, Asim; Simmerling, Carlos

2009-01-01

Abstract Force-field validation is essential for the identification of weaknesses in current models and the development of more accurate models of biomolecules. NMR coupling and relaxation methods have been used to effectively diagnose the strengths and weaknesses of many existing force fields. Studies using the ff99SB force field have shown excellent agreement between experimental and calculated order parameters and residual dipolar calculations. However, recent studies have suggested that ff99SB demonstrates poor agreement with J-coupling constants for short polyalanines. We performed extensive replica-exchange molecular-dynamics simulations on Ala3 and Ala5 in TIP3P and TIP4P-Ew solvent models. Our results suggest that the performance of ff99SB is among the best of currently available models. In addition, scalar coupling constants derived from simulations in the TIP4P-Ew model show a slight improvement over those obtained using the TIP3P model. Despite the overall excellent agreement, the data suggest areas for possible improvement. PMID:19651043

Reducing Errors in Satellite Simulated Views of Clouds with an Improved Parameterization of Unresolved Scales

NASA Astrophysics Data System (ADS)

Hillman, B. R.; Marchand, R.; Ackerman, T. P.

2016-12-01

Satellite instrument simulators have emerged as a means to reduce errors in model evaluation by producing simulated or psuedo-retrievals from model fields, which account for limitations in the satellite retrieval process. Because of the mismatch in resolved scales between satellite retrievals and large-scale models, model cloud fields must first be downscaled to scales consistent with satellite retrievals. This downscaling is analogous to that required for model radiative transfer calculations. The assumption is often made in both model radiative transfer codes and satellite simulators that the unresolved clouds follow maximum-random overlap with horizontally homogeneous cloud condensate amounts. We examine errors in simulated MISR and CloudSat retrievals that arise due to these assumptions by applying the MISR and CloudSat simulators to cloud resolving model (CRM) output generated by the Super-parameterized Community Atmosphere Model (SP-CAM). Errors are quantified by comparing simulated retrievals performed directly on the CRM fields with those simulated by first averaging the CRM fields to approximately 2-degree resolution, applying a "subcolumn generator" to regenerate psuedo-resolved cloud and precipitation condensate fields, and then applying the MISR and CloudSat simulators on the regenerated condensate fields. We show that errors due to both assumptions of maximum-random overlap and homogeneous condensate are significant (relative to uncertainties in the observations and other simulator limitations). The treatment of precipitation is particularly problematic for CloudSat-simulated radar reflectivity. We introduce an improved subcolumn generator for use with the simulators, and show that these errors can be greatly reduced by replacing the maximum-random overlap assumption with the more realistic generalized overlap and incorporating a simple parameterization of subgrid-scale cloud and precipitation condensate heterogeneity. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. SAND NO. SAND2016-7485 A

Tools for 3D scientific visualization in computational aerodynamics at NASA Ames Research Center

NASA Technical Reports Server (NTRS)

Bancroft, Gordon; Plessel, Todd; Merritt, Fergus; Watson, Val

1989-01-01

Hardware, software, and techniques used by the Fluid Dynamics Division (NASA) for performing visualization of computational aerodynamics, which can be applied to the visualization of flow fields from computer simulations of fluid dynamics about the Space Shuttle, are discussed. Three visualization techniques applied, post-processing, tracking, and steering, are described, as well as the post-processing software packages used, PLOT3D, SURF (Surface Modeller), GAS (Graphical Animation System), and FAST (Flow Analysis software Toolkit). Using post-processing methods a flow simulation was executed on a supercomputer and, after the simulation was complete, the results were processed for viewing. It is shown that the high-resolution, high-performance three-dimensional workstation combined with specially developed display and animation software provides a good tool for analyzing flow field solutions obtained from supercomputers.

Computational Aerodynamic Simulations of a Spacecraft Cabin Ventilation Fan Design

NASA Technical Reports Server (NTRS)

Tweedt, Daniel L.

2010-01-01

Quieter working environments for astronauts are needed if future long-duration space exploration missions are to be safe and productive. Ventilation and payload cooling fans are known to be dominant sources of noise, with the International Space Station being a good case in point. To address this issue cost effectively, early attention to fan design, selection, and installation has been recommended, leading to an effort by NASA to examine the potential for small-fan noise reduction by improving fan aerodynamic design. As a preliminary part of that effort, the aerodynamics of a cabin ventilation fan designed by Hamilton Sundstrand has been simulated using computational fluid dynamics codes, and the computed solutions analyzed to quantify various aspects of the fan aerodynamics and performance. Four simulations were performed at the design rotational speed: two at the design flow rate and two at off-design flow rates. Following a brief discussion of the computational codes, various aerodynamic- and performance-related quantities derived from the computed flow fields are presented along with relevant flow field details. The results show that the computed fan performance is in generally good agreement with stated design goals.

Multi-GPU hybrid programming accelerated three-dimensional phase-field model in binary alloy

NASA Astrophysics Data System (ADS)

Zhu, Changsheng; Liu, Jieqiong; Zhu, Mingfang; Feng, Li

2018-03-01

In the process of dendritic growth simulation, the computational efficiency and the problem scales have extremely important influence on simulation efficiency of three-dimensional phase-field model. Thus, seeking for high performance calculation method to improve the computational efficiency and to expand the problem scales has a great significance to the research of microstructure of the material. A high performance calculation method based on MPI+CUDA hybrid programming model is introduced. Multi-GPU is used to implement quantitative numerical simulations of three-dimensional phase-field model in binary alloy under the condition of multi-physical processes coupling. The acceleration effect of different GPU nodes on different calculation scales is explored. On the foundation of multi-GPU calculation model that has been introduced, two optimization schemes, Non-blocking communication optimization and overlap of MPI and GPU computing optimization, are proposed. The results of two optimization schemes and basic multi-GPU model are compared. The calculation results show that the use of multi-GPU calculation model can improve the computational efficiency of three-dimensional phase-field obviously, which is 13 times to single GPU, and the problem scales have been expanded to 8193. The feasibility of two optimization schemes is shown, and the overlap of MPI and GPU computing optimization has better performance, which is 1.7 times to basic multi-GPU model, when 21 GPUs are used.

Tools for 3D scientific visualization in computational aerodynamics

NASA Technical Reports Server (NTRS)

Bancroft, Gordon; Plessel, Todd; Merritt, Fergus; Watson, Val

1989-01-01

The purpose is to describe the tools and techniques in use at the NASA Ames Research Center for performing visualization of computational aerodynamics, for example visualization of flow fields from computer simulations of fluid dynamics about vehicles such as the Space Shuttle. The hardware used for visualization is a high-performance graphics workstation connected to a super computer with a high speed channel. At present, the workstation is a Silicon Graphics IRIS 3130, the supercomputer is a CRAY2, and the high speed channel is a hyperchannel. The three techniques used for visualization are post-processing, tracking, and steering. Post-processing analysis is done after the simulation. Tracking analysis is done during a simulation but is not interactive, whereas steering analysis involves modifying the simulation interactively during the simulation. Using post-processing methods, a flow simulation is executed on a supercomputer and, after the simulation is complete, the results of the simulation are processed for viewing. The software in use and under development at NASA Ames Research Center for performing these types of tasks in computational aerodynamics is described. Workstation performance issues, benchmarking, and high-performance networks for this purpose are also discussed as well as descriptions of other hardware for digital video and film recording.

Impact of large-scale atmospheric refractive structures on optical wave propagation

NASA Astrophysics Data System (ADS)

Nunalee, Christopher G.; He, Ping; Basu, Sukanta; Vorontsov, Mikhail A.; Fiorino, Steven T.

2014-10-01

Conventional techniques used to model optical wave propagation through the Earth's atmosphere typically as- sume flow fields based on various empirical relationships. Unfortunately, these synthetic refractive index fields do not take into account the influence of transient macroscale and mesoscale (i.e. larger than turbulent microscale) atmospheric phenomena. Nevertheless, a number of atmospheric structures that are characterized by various spatial and temporal scales exist which have the potential to significantly impact refractive index fields, thereby resulting dramatic impacts on optical wave propagation characteristics. In this paper, we analyze a subset of spatio-temporal dynamics found to strongly affect optical waves propagating through these atmospheric struc- tures. Analysis of wave propagation was performed in the geometrical optics approximation using a standard ray tracing technique. Using a numerical weather prediction (NWP) approach, we simulate multiple realistic atmospheric events (e.g., island wakes, low-level jets, etc.), and estimate the associated refractivity fields prior to performing ray tracing simulations. By coupling NWP model output with ray tracing simulations, we demon- strate the ability to quantitatively assess the potential impacts of coherent atmospheric phenomena on optical ray propagation. Our results show a strong impact of spatio-temporal characteristics of the refractive index field on optical ray trajectories. Such correlations validate the effectiveness of NWP models as they offer a more comprehensive representation of atmospheric refractivity fields compared to conventional methods based on the assumption of horizontal homogeneity.

Bifocal computational near eye light field displays and Structure parameters determination scheme for bifocal computational display.

PubMed

Liu, Mali; Lu, Chihao; Li, Haifeng; Liu, Xu

2018-02-19

We propose a bifocal computational near eye light field display (bifocal computational display) and structure parameters determination scheme (SPDS) for bifocal computational display that achieves greater depth of field (DOF), high resolution, accommodation and compact form factor. Using a liquid varifocal lens, two single-focal computational light fields are superimposed to reconstruct a virtual object's light field by time multiplex and avoid the limitation on high refresh rate. By minimizing the deviation between reconstructed light field and original light field, we propose a determination framework to determine the structure parameters of bifocal computational light field display. When applied to different objective to SPDS, it can achieve high average resolution or uniform resolution display over scene depth range. To analyze the advantages and limitation of our proposed method, we have conducted simulations and constructed a simple prototype which comprises a liquid varifocal lens, dual-layer LCDs and a uniform backlight. The results of simulation and experiments with our method show that the proposed system can achieve expected performance well. Owing to the excellent performance of our system, we motivate bifocal computational display and SPDS to contribute to a daily-use and commercial virtual reality display.

Simulation and analysis of a geopotential research mission

NASA Technical Reports Server (NTRS)

Schutz, B. E.

1986-01-01

A computer simulation was performed for a Geopotential Research Mission (GRM) to enable study of the gravitational sensitivity of the range/rate measurement between two satellites and to provide a set of simulated measurements to assist in the evaluation of techniques developed for the determination of the gravity field. The simulation, identified as SGRM 8511, was conducted with two satellites in near circular, frozen orbits at 160 km altitude and separated by 300 km. High precision numerical integration of the polar orbits was used with a gravitational field complete to degree and order 180 coefficients and to degree 300 in orders 0 to 10. The set of simulated data for a mission duration of about 32 days was generated on a Cray X-MP computer. The characteristics of the simulation and the nature of the results are described.

A novel flexible field-aligned coordinate system for tokamak edge plasma simulation

NASA Astrophysics Data System (ADS)

Leddy, J.; Dudson, B.; Romanelli, M.; Shanahan, B.; Walkden, N.

2017-03-01

Tokamak plasmas are confined by a magnetic field that limits the particle and heat transport perpendicular to the field. Parallel to the field the ionised particles can move freely, so to obtain confinement the field lines are "closed" (i.e. form closed surfaces of constant poloidal flux) in the core of a tokamak. Towards, the edge, however, the field lines intersect physical surfaces, leading to interaction between neutral and ionised particles, and the potential melting of the material surface. Simulation of this interaction is important for predicting the performance and lifetime of future tokamak devices such as ITER. Field-aligned coordinates are commonly used in the simulation of tokamak plasmas due to the geometry and magnetic topology of the system. However, these coordinates are limited in the geometry they allow in the poloidal plane due to orthogonality requirements. A novel 3D coordinate system is proposed herein that relaxes this constraint so that any arbitrary, smoothly varying geometry can be matched in the poloidal plane while maintaining a field-aligned coordinate. This system is implemented in BOUT++ and tested for accuracy using the method of manufactured solutions. A MAST edge cross-section is simulated using a fluid plasma model and the results show expected behaviour for density, temperature, and velocity. Finally, simulations of an isolated divertor leg are conducted with and without neutrals to demonstrate the ion-neutral interaction near the divertor plate and the corresponding beneficial decrease in plasma temperature.

ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins

PubMed Central

2015-01-01

We present the ff14ipq force field, implementing the previously published IPolQ charge set for simulations of complete proteins. Minor modifications to the charge derivation scheme and van der Waals interactions between polar atoms are introduced. Torsion parameters are developed through a generational learning approach, based on gas-phase MP2/cc-pVTZ single-point energies computed of structures optimized by the force field itself rather than the quantum benchmark. In this manner, we sacrifice information about the true quantum minima in order to ensure that the force field maintains optimal agreement with the MP2/cc-pVTZ benchmark for the ensembles it will actually produce in simulations. A means of making the gas-phase torsion parameters compatible with solution-phase IPolQ charges is presented. The ff14ipq model is an alternative to ff99SB and other Amber force fields for protein simulations in programs that accommodate pair-specific Lennard–Jones combining rules. The force field gives strong performance on α-helical and β-sheet oligopeptides as well as globular proteins over microsecond time scale simulations, although it has not yet been tested in conjunction with lipid and nucleic acid models. We show how our choices in parameter development influence the resulting force field and how other choices that may have appeared reasonable would actually have led to poorer results. The tools we developed may also aid in the development of future fixed-charge and even polarizable biomolecular force fields. PMID:25328495

Micro- and Macro-Fluid Dynamics and Acoustics of Resonant Liners

NASA Technical Reports Server (NTRS)

Tam, Christopher K. W.; Watson, Willie (Technical Monitor)

2002-01-01

The objectives of this project are to perform direct numerical simulation of the micro-fluid and acoustic fields of a resonant acoustic liner and to investigate the physical processes by which incident sound waves are damped by the acoustic liner. We would like to report that our research work and results have fulfilled both objectives of the grant. The following is a summary of the important accomplishments: (1) Two dimensional direct numerical simulation of the flow and acoustic field around the cavity of resonant liner were successfully carried out; (2) The simulations of (1) were extended to include a laminar grazing flow; (3) The numerical simulations provided strong evidence that there are two principal mechanisms by which a resonant liner damps out an incident acoustic wave; (4) A validation test was performed by comparing the computed dissipation coefficients (not impedance) with impedance tube measurements done at GTRI; and (5) Some resources of this grant were used to support the development of new CAA methods. (Our work on numerical simulation of acoustic liners has benefited by the availability of these improved methods).

Railroads and the Environment : Estimation of Fuel Consumption in Rail Transportation : Volume 3. Comparison of Computer Simulations with Field Measurements

DOT National Transportation Integrated Search

1978-09-01

This report documents comparisons between extensive rail freight service measurements (previously presented in Volume II) and simulations of the same operations using a sophisticated train performance calculator computer program. The comparisons cove...

[Effect of air-electric fields on driving and reaction patterns. Test subjects in the car driving simulator (author's transl)].

PubMed

Anselm, D; Danner, M; Kirmaier, N; König, H L; Müller-Limmroth, W; Reis, A; Schauerte, W

1977-06-10

In the relevant frequency range of about 10 Hertz cars can be considered very largely as Faraday cages and consequently as screens against air-electric fields. This may have a negative influence on driving and reaction patterns as a result. In an extensive investigation 48 subjects in a driving simulator were exposed to definite artificially produced air-electric fields. The self-rating of the performance and concentration of the subjects, reaction times and driving errors were determined. While the reaction times remained practically constant, the driving behavior of the subjects improved.

Magnetic biosensors: Modelling and simulation.

PubMed

Nabaei, Vahid; Chandrawati, Rona; Heidari, Hadi

2018-04-30

In the past few years, magnetoelectronics has emerged as a promising new platform technology in various biosensors for detection, identification, localisation and manipulation of a wide spectrum of biological, physical and chemical agents. The methods are based on the exposure of the magnetic field of a magnetically labelled biomolecule interacting with a complementary biomolecule bound to a magnetic field sensor. This Review presents various schemes of magnetic biosensor techniques from both simulation and modelling as well as analytical and numerical analysis points of view, and the performance variations under magnetic fields at steady and nonstationary states. This is followed by magnetic sensors modelling and simulations using advanced Multiphysics modelling software (e.g. Finite Element Method (FEM) etc.) and home-made developed tools. Furthermore, outlook and future directions of modelling and simulations of magnetic biosensors in different technologies and materials are critically discussed. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

Potential energy functions for atomic-level simulations of water and organic and biomolecular systems.

PubMed

Jorgensen, William L; Tirado-Rives, Julian

2005-05-10

An overview is provided on the development and status of potential energy functions that are used in atomic-level statistical mechanics and molecular dynamics simulations of water and of organic and biomolecular systems. Some topics that are considered are the form of force fields, their parameterization and performance, simulations of organic liquids, computation of free energies of hydration, universal extension for organic molecules, and choice of atomic charges. The discussion of water models covers some history, performance issues, and special topics such as nuclear quantum effects.

Removing the Impact of Baluns from Measurements of a Novel Antenna for Cosmological HI Measurements

NASA Astrophysics Data System (ADS)

Trung, Vincent; Ewall-Wice, Aaron Michael; Li, Jianshu; Hewitt, Jacqueline; Riley, Daniel; Bradley, Richard F.; Makhija, Krishna; Garza, Sierra; HERA Collaboration

2018-01-01

The Hydrogen Epoch of Reionization Array (HERA) is a low-frequency radio interferometer aiming to detect redshifted 21 cm emission from neutral hydrogen during the Epoch of Reionization at frequencies between 100 and 200 MHz. Extending HERA’s performance to lower frequencies will enable detection of radio waves at higher redshifts, when models predict that gas between galaxies was heated by X-rays from the first stellar-mass black holes. The isolation of foregrounds that are four orders of magnitude brighter than the faint cosmological signal presents and unprecedented set of design specifications for our antennas, including sensitivity and spectral smoothness over a large bandwidth. We are developing a broadband sinuous antenna feed for HERA, extending the bandwidth from 50 to 220 MHz, and we are verifying antenna performance with field measurements and simulations. Electromagnetic simulations compute the differential S-parameters of the antenna. We measure these S-parameters through a lossy balun attached to an unbalanced vector network analyzer. Removing the impact of this balun is critical in obtaining an accurate comparison between our simulations and measurements. I describe measurements to characterize the baluns and how they are used to remove the balun’s impact on the antenna S-parameter measurements. Field measurements of the broadband sinuous antenna dish at MIT and Green Bank Observatory are used to verify our electromagnetic simulations of the broadband sinuous antenna design. After applying our balun corrections, we find that our field measurements are in good agreement with the simulation, giving us confidence that our feeds will perform as designed.

MHD Turbulence, div B = 0 and Lattice Boltzmann Simulations

NASA Astrophysics Data System (ADS)

Phillips, Nate; Keating, Brian; Vahala, George; Vahala, Linda

2006-10-01

The question of div B = 0 in MHD simulations is a crucial issue. Here we consider lattice Boltzmann simulations for MHD (LB-MHD). One introduces a scalar distribution function for the velocity field and a vector distribution function for the magnetic field. This asymmetry is due to the different symmetries in the tensors arising in the time evolution of these fields. The simple algorithm of streaming and local collisional relaxation is ideally parallelized and vectorized -- leading to the best sustained performance/PE of any code run on the Earth Simulator. By reformulating the BGK collision term, a simple implicit algorithm can be immediately transformed into an explicit algorithm that permits simulations at quite low viscosity and resistivity. However the div B is not an imposed constraint. Currently we are examining a new formulations of LB-MHD that impose the div B constraint -- either through an entropic like formulation or by introducing forcing terms into the momentum equations and permitting simpler forms of relaxation distributions.

Current Status of Protein Force Fields for Molecular Dynamics

PubMed Central

Lopes, Pedro E.M.; Guvench, Olgun

2015-01-01

Summary The current status of classical force fields for proteins is reviewed. These include additive force fields as well as the latest developments in the Drude and AMOEBA polarizable force fields. Parametrization strategies developed specifically for the Drude force field are described and compared with the additive CHARMM36 force field. Results from molecular simulations of proteins and small peptides are summarized to illustrate the performance of the Drude and AMOEBA force fields. PMID:25330958

Intraoperative tremor in surgeons and trainees.

PubMed

Verrelli, David I; Qian, Yi; Wilson, Michael K; Wood, James; Savage, Craig

2016-09-01

Tremor may be expected to interfere with the performance of fine motor tasks such as surgery. While tremor is readily quantified in inactive subjects, it is more challenging to measure tremor as the subjects perform complex tasks. The objective of this work was to quantify tremor during the performance of a realistic simulated surgery. Our novel surgical simulator incorporates a force sensor that allows identification and quantification of the intraoperative effects of tremor on the manipulandum. We have collected preliminary data from trainees and experienced surgeons carrying out multiple simulated anastomoses on silicone vessels, mimicking a procedure such as distal coronary anastomosis. We calculated transient and overall tremor intensity, and tested for a hypothesized 'learning effect'. Several of the recordings of intraoperative force data manifested distinctive features corresponding to substantial oscillation in the range of 8-12 Hz. We attribute this to enhanced physiological tremor. These early results indicate a significant reduction in the transmission of surgeon's tremor to the operative field from the first attempt to later attempts (P = 0.039, standardized effect size = 0.91), which may be associated with increasing confidence. This new method does not just quantify tremor, but quantifies the transmission of tremor to a manipulandum in the operative field during high-fidelity simulated coronary surgery. This may be used to assess and provide feedback on the performance of trainees and experienced surgeons, along with other fields in which fine motor skills are of vital importance. © The Author 2016. Published by Oxford University Press on behalf of the European Association for Cardio-Thoracic Surgery. All rights reserved.

Finite element analysis and performance study of switched reluctance generator

NASA Astrophysics Data System (ADS)

Zhang, Qianhan; Guo, Yingjun; Xu, Qi; Yu, Xiaoying; Guo, Yajie

2017-03-01

Analyses a three-phase 12/8 switched reluctance generator (SRG) which is based on its structure and performance principle. The initial size data were calculated by MathCAD, and the simulation model was set up in the ANSOFT software environment with the maximum efficiency and the maximum output power as the main reference parameters. The outer diameter of the stator and the inner diameter of the rotor were parameterized. The static magnetic field distribution, magnetic flux, magnetic energy, torque, inductance characteristics, back electromotive force and phase current waveform of SRG is obtained by analyzing the static magnetic field and the steady state motion of two-dimensional transient magnetic field in ANSOFT environment. Finally, the experimental data of the prototype are compared with the simulation results, which provide a reliable basis for the design and research of SRG wind turbine system.

Surgical simulators in cataract surgery training.

PubMed

Sikder, Shameema; Tuwairqi, Khaled; Al-Kahtani, Eman; Myers, William G; Banerjee, Pat

2014-02-01

Virtual simulators have been widely implemented in medical and surgical training, including ophthalmology. The increasing number of published articles in this field mandates a review of the available results to assess current technology and explore future opportunities. A PubMed search was conducted and a total of 10 articles were reviewed. Virtual simulators have shown construct validity in many modules, successfully differentiating user experience levels during simulated phacoemulsification surgery. Simulators have also shown improvements in wet-lab performance. The implementation of simulators in the residency training has been associated with a decrease in cataract surgery complication rates. Virtual reality simulators are an effective tool in measuring performance and differentiating trainee skill level. Additionally, they may be useful in improving surgical skill and patient outcomes in cataract surgery. Future opportunities rely on taking advantage of technical improvements in simulators for education and research.

Parallel methodology to capture cyclic variability in motored engines

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

Ameen, Muhsin M.; Yang, Xiaofeng; Kuo, Tang-Wei

2016-07-28

Numerical prediction of of cycle-to-cycle variability (CCV) in SI engines is extremely challenging for two key reasons: (i) high-fidelity methods such as large eddy simulation (LES) are require to accurately capture the in-cylinder turbulent flowfield, and (ii) CCV is experienced over long timescales and hence the simulations need to be performed for hundreds of consecutive cycles. In this study, a new methodology is proposed to dissociate this long time-scale problem into several shorter time-scale problems, which can considerably reduce the computational time without sacrificing the fidelity of the simulations. The strategy is to perform multiple single-cycle simulations in parallel bymore » effectively perturbing the simulation parameters such as the initial and boundary conditions. It is shown that by perturbing the initial velocity field effectively based on the intensity of the in-cylinder turbulence, the mean and variance of the in-cylinder flowfield is captured reasonably well. Adding perturbations in the initial pressure field and the boundary pressure improves the predictions. It is shown that this new approach is able to give accurate predictions of the flowfield statistics in less than one-tenth of time required for the conventional approach of simulating consecutive engine cycles.« less

Deficits in Attention and Visual Processing but not Global Cognition Predict Simulated Driving Errors in Drivers Diagnosed With Mild Alzheimer's Disease.

PubMed

Yamin, Stephanie; Stinchcombe, Arne; Gagnon, Sylvain

2016-06-01

This study sought to predict driving performance of drivers with Alzheimer's disease (AD) using measures of attention, visual processing, and global cognition. Simulated driving performance of individuals with mild AD (n = 20) was contrasted with performance of a group of healthy controls (n = 21). Performance on measures of global cognitive function and specific tests of attention and visual processing were examined in relation to simulated driving performance. Strong associations were observed between measures of attention, notably the Test of Everyday Attention (sustained attention; r = -.651, P = .002) and the Useful Field of View (r = .563, P = .010), and driving performance among drivers with mild AD. The Visual Object and Space Perception Test-object was significantly correlated with the occurrence of crashes (r = .652, P = .002). Tests of global cognition did not correlate with simulated driving outcomes. The results suggest that professionals exercise caution when extrapolating driving performance based on global cognitive indicators. © The Author(s) 2015.

Numerical simulation of electromagnetic fields and impedance of CERN LINAC4 H(-) source taking into account the effect of the plasma.

PubMed

Grudiev, A; Lettry, J; Mattei, S; Paoluzzi, M; Scrivens, R

2014-02-01

Numerical simulation of the CERN LINAC4 H(-) source 2 MHz RF system has been performed taking into account a realistic geometry from 3D Computer Aided Design model using commercial FEM high frequency simulation code. The effect of the plasma has been added to the model by the approximation of a homogenous electrically conducting medium. Electric and magnetic fields, RF power losses, and impedance of the circuit have been calculated for different values of the plasma conductivity. Three different regimes have been found depending on the plasma conductivity: (1) Zero or low plasma conductivity results in RF electric field induced by the RF antenna being mainly capacitive and has axial direction; (2) Intermediate conductivity results in the expulsion of capacitive electric field from plasma and the RF power coupling, which is increasing linearly with the plasma conductivity, is mainly dominated by the inductive azimuthal electric field; (3) High conductivity results in the shielding of both the electric and magnetic fields from plasma due to the skin effect, which reduces RF power coupling to plasma. From these simulations and measurements of the RF power coupling on the CERN source, a value of the plasma conductivity has been derived. It agrees well with an analytical estimate calculated from the measured plasma parameters. In addition, the simulated and measured impedances with and without plasma show very good agreement as well demonstrating validity of the plasma model used in the RF simulations.

Organic field effect transistors - Study of performance parameters for different dielectric layer thickness

NASA Astrophysics Data System (ADS)

Assis, Anu; Shahul Hameed T., A.; Predeep, P.

2017-06-01

Mobility and current handling capabilities of Organic Field Effect Transistor (OFET) are vitally important parameters in the electrical performance where the material parameters and thickness of different layers play significant role. In this paper, we report the simulation of an OFET using multi physics tool, where the active layer is pentacene and Poly Methyl Methacrylate (PMMA) forms the dielectric. Electrical characterizations of the OFET on varying the thickness of the dielectric layer from 600nm to 400nm are simulated and drain current, transconductance and mobility are analyzed. In the study it is found that even though capacitance increases with reduction in dielectric layer thickness, the transconductance effect is reflected many more times in the mobility which in turn could be attributed to the variations in transverse electric field. The layer thickness below 300nm may result in gate leakage current points to the requirement of optimizing the thickness of different layers for better performance.

Accounting for the fringe magnetic field from the bending magnet in a Monte Carlo accelerator treatment head simulation.

PubMed

O'Shea, Tuathan P; Foley, Mark J; Faddegon, Bruce A

2011-06-01

Monte Carlo (MC) simulation can be used for accurate electron beam treatment planning and modeling. Measurement of large electron fields, with the applicator removed and secondary collimator wide open, has been shown to provide accurate simulation parameters, including asymmetry in the measured dose, for the full range of clinical field sizes and patient positions. Recently, disassembly of the treatment head of a linear accelerator has been used to refine the simulation of the electron beam, setting tightly measured constraints on source and geometry parameters used in simulation. The simulation did not explicitly include the known deflection of the electron beam by a fringe magnetic field from the bending magnet, which extended into the treatment head. Instead, the secondary scattering foil and monitor chamber were unrealistically laterally offset to account for the beam deflection. This work is focused on accounting for this fringe magnetic field in treatment head simulation. The magnetic field below the exit window of a Siemens Oncor linear accelerator was measured with a Tesla-meter from 0 to 12 cm from the exit window and 1-3 cm off-axis. Treatment head simulation was performed with the EGSnrc/BEAMnrc code, modified to incorporate the effect of the magnetic field on charged particle transport. Simulations were used to analyze the sensitivity of dose profiles to various sources of asymmetry in the treatment head. This included the lateral spot offset and beam angle at the exit window, the fringe magnetic field and independent lateral offsets of the secondary scattering foil and electron monitor chamber. Simulation parameters were selected within the limits imposed by measurement uncertainties. Calculated dose distributions were then compared with those measured in water. The magnetic field was a maximum at the exit window, increasing from 0.006 T at 6 MeV to 0.020 T at 21 MeV and dropping to approximately 5% of the maximum at the secondary scattering foil. It was up to three times higher in the bending plane, away from the electron gun, and symmetric within measurement uncertainty in the transverse plane. Simulations showed the magnetic field resulted in an offset of the electron beam of 0.80 cm (mean) at the machine isocenter for the exit window only configuration. The fringe field resulted in a 3.5%-7.6% symmetry and 0.25-0.35 cm offset of the clinical beam R(max) profiles. With the magnetic field included in simulations, a single (realistic) position of the secondary scattering foil and monitor chamber was selected. Measured and simulated dose profiles showed agreement to an average of 2.5%/0.16 cm (maximum: 3%/0.2 cm), which is a better match than previously achieved without incorporating the magnetic field in the simulation. The undulations from the 3 stepped layers of the secondary scattering foil, evident in the measured profiles of the higher energy beams, are now aligned with those in the simulated beam. The simulated fringe magnetic field had negligible effect on the central axis depth dose curves and cross-plane dose profiles. The fringe magnetic field is a significant contributor to the electron beam in-plane asymmetry. With the magnetic field included explicitly in the simulation, realistic monitor chamber and secondary scattering foil positions have been achieved, and the calculated fluence and dose distributions are more accurate.

Simulating and stimulating performance: introducing distributed simulation to enhance musical learning and performance.

PubMed

Williamon, Aaron; Aufegger, Lisa; Eiholzer, Hubert

2014-01-01

Musicians typically rehearse far away from their audiences and in practice rooms that differ significantly from the concert venues in which they aspire to perform. Due to the high costs and inaccessibility of such venues, much current international music training lacks repeated exposure to realistic performance situations, with students learning all too late (or not at all) how to manage performance stress and the demands of their audiences. Virtual environments have been shown to be an effective training tool in the fields of medicine and sport, offering practitioners access to real-life performance scenarios but with lower risk of negative evaluation and outcomes. The aim of this research was to design and test the efficacy of simulated performance environments in which conditions of "real" performance could be recreated. Advanced violin students (n = 11) were recruited to perform in two simulations: a solo recital with a small virtual audience and an audition situation with three "expert" virtual judges. Each simulation contained back-stage and on-stage areas, life-sized interactive virtual observers, and pre- and post-performance protocols designed to match those found at leading international performance venues. Participants completed a questionnaire on their experiences of using the simulations. Results show that both simulated environments offered realistic experience of performance contexts and were rated particularly useful for developing performance skills. For a subset of 7 violinists, state anxiety and electrocardiographic data were collected during the simulated audition and an actual audition with real judges. Results display comparable levels of reported state anxiety and patterns of heart rate variability in both situations, suggesting that responses to the simulated audition closely approximate those of a real audition. The findings are discussed in relation to their implications, both generalizable and individual-specific, for performance training.

Simulating and stimulating performance: introducing distributed simulation to enhance musical learning and performance

PubMed Central

Williamon, Aaron; Aufegger, Lisa; Eiholzer, Hubert

2014-01-01

Musicians typically rehearse far away from their audiences and in practice rooms that differ significantly from the concert venues in which they aspire to perform. Due to the high costs and inaccessibility of such venues, much current international music training lacks repeated exposure to realistic performance situations, with students learning all too late (or not at all) how to manage performance stress and the demands of their audiences. Virtual environments have been shown to be an effective training tool in the fields of medicine and sport, offering practitioners access to real-life performance scenarios but with lower risk of negative evaluation and outcomes. The aim of this research was to design and test the efficacy of simulated performance environments in which conditions of “real” performance could be recreated. Advanced violin students (n = 11) were recruited to perform in two simulations: a solo recital with a small virtual audience and an audition situation with three “expert” virtual judges. Each simulation contained back-stage and on-stage areas, life-sized interactive virtual observers, and pre- and post-performance protocols designed to match those found at leading international performance venues. Participants completed a questionnaire on their experiences of using the simulations. Results show that both simulated environments offered realistic experience of performance contexts and were rated particularly useful for developing performance skills. For a subset of 7 violinists, state anxiety and electrocardiographic data were collected during the simulated audition and an actual audition with real judges. Results display comparable levels of reported state anxiety and patterns of heart rate variability in both situations, suggesting that responses to the simulated audition closely approximate those of a real audition. The findings are discussed in relation to their implications, both generalizable and individual-specific, for performance training. PMID:24550856

Structure of supersonic jet flow and its radiated sound

NASA Technical Reports Server (NTRS)

Mankbadi, Reda R.; Hayer, M. Ehtesham; Povinelli, Louis A.

1994-01-01

The present paper explores the use of large-eddy simulations as a tool for predicting noise from first principles. A high-order numerical scheme is used to perform large-eddy simulations of a supersonic jet flow with emphasis on capturing the time-dependent flow structure representating the sound source. The wavelike nature of this structure under random inflow disturbances is demonstrated. This wavelike structure is then enhanced by taking the inflow disturbances to be purely harmonic. Application of Lighthill's theory to calculate the far-field noise, with the sound source obtained from the calculated time-dependent near field, is demonstrated. Alternative approaches to coupling the near-field sound source to the far-field sound are discussed.

Monte Carlo study of the impact of a magnetic field on the dose distribution in MRI-guided HDR brachytherapy using Ir-192

NASA Astrophysics Data System (ADS)

Beld, E.; Seevinck, P. R.; Lagendijk, J. J. W.; Viergever, M. A.; Moerland, M. A.

2016-09-01

In the process of developing a robotic MRI-guided high-dose-rate (HDR) prostate brachytherapy treatment, the influence of the MRI scanner’s magnetic field on the dose distribution needs to be investigated. A magnetic field causes a deflection of electrons in the plane perpendicular to the magnetic field, and it leads to less lateral scattering along the direction parallel with the magnetic field. Monte Carlo simulations were carried out to determine the influence of the magnetic field on the electron behavior and on the total dose distribution around an Ir-192 source. Furthermore, the influence of air pockets being present near the source was studied. The Monte Carlo package Geant4 was utilized for the simulations. The simulated geometries consisted of a simplified point source inside a water phantom. Magnetic field strengths of 0 T, 1.5 T, 3 T, and 7 T were considered. The simulation results demonstrated that the dose distribution was nearly unaffected by the magnetic field for all investigated magnetic field strengths. Evidence was found that, from a dose perspective, the HDR prostate brachytherapy treatment using Ir-192 can be performed safely inside the MRI scanner. No need was found to account for the magnetic field during treatment planning. Nevertheless, the presence of air pockets in close vicinity to the source, particularly along the direction parallel with the magnetic field, appeared to be an important point for consideration.

Monte Carlo study of the impact of a magnetic field on the dose distribution in MRI-guided HDR brachytherapy using Ir-192.

PubMed

Beld, E; Seevinck, P R; Lagendijk, J J W; Viergever, M A; Moerland, M A

2016-09-21

In the process of developing a robotic MRI-guided high-dose-rate (HDR) prostate brachytherapy treatment, the influence of the MRI scanner's magnetic field on the dose distribution needs to be investigated. A magnetic field causes a deflection of electrons in the plane perpendicular to the magnetic field, and it leads to less lateral scattering along the direction parallel with the magnetic field. Monte Carlo simulations were carried out to determine the influence of the magnetic field on the electron behavior and on the total dose distribution around an Ir-192 source. Furthermore, the influence of air pockets being present near the source was studied. The Monte Carlo package Geant4 was utilized for the simulations. The simulated geometries consisted of a simplified point source inside a water phantom. Magnetic field strengths of 0 T, 1.5 T, 3 T, and 7 T were considered. The simulation results demonstrated that the dose distribution was nearly unaffected by the magnetic field for all investigated magnetic field strengths. Evidence was found that, from a dose perspective, the HDR prostate brachytherapy treatment using Ir-192 can be performed safely inside the MRI scanner. No need was found to account for the magnetic field during treatment planning. Nevertheless, the presence of air pockets in close vicinity to the source, particularly along the direction parallel with the magnetic field, appeared to be an important point for consideration.

Performance and Health Test Procedure for Grid Energy Storage Systems

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

Baggu, Murali M; Smith, Kandler A; Friedl, Andrew

A test procedure to evaluate the performance and health of field installations of grid-connected battery energy storage systems (BESS) is described. Performance and health metrics captured in the procedures are: round-trip efficiency, standby losses, response time/accuracy, and useable energy/state of charge at different discharge/charge rates over the system's lifetime. The procedures are divided into reference performance tests, which require the system to be put in a test mode and are to be conducted in intervals, and real-time monitoring tests, which collect data during normal operation without interruption. The procedures can be applied on a wide array of BESS with littlemore » modification and can thus support BESS operators in the management of BESS field installations with minimal interruption and expenditure. Simulated results based on a detailed system simulation of a prototype system are provided as guideline.« less

Four dimensional data assimilation (FDDA) impacts on WRF performance in simulating inversion layer structure and distributions of CMAQ-simulated winter ozone concentrations in Uintah Basin

NASA Astrophysics Data System (ADS)

Tran, Trang; Tran, Huy; Mansfield, Marc; Lyman, Seth; Crosman, Erik

2018-03-01

Four-dimensional data assimilation (FDDA) was applied in WRF-CMAQ model sensitivity tests to study the impact of observational and analysis nudging on model performance in simulating inversion layers and O3 concentration distributions within the Uintah Basin, Utah, U.S.A. in winter 2013. Observational nudging substantially improved WRF model performance in simulating surface wind fields, correcting a 10 °C warm surface temperature bias, correcting overestimation of the planetary boundary layer height (PBLH) and correcting underestimation of inversion strengths produced by regular WRF model physics without nudging. However, the combined effects of poor performance of WRF meteorological model physical parameterization schemes in simulating low clouds, and warm and moist biases in the temperature and moisture initialization and subsequent simulation fields, likely amplified the overestimation of warm clouds during inversion days when observational nudging was applied, impacting the resulting O3 photochemical formation in the chemistry model. To reduce the impact of a moist bias in the simulations on warm cloud formation, nudging with the analysis water mixing ratio above the planetary boundary layer (PBL) was applied. However, due to poor analysis vertical temperature profiles, applying analysis nudging also increased the errors in the modeled inversion layer vertical structure compared to observational nudging. Combining both observational and analysis nudging methods resulted in unrealistically extreme stratified stability that trapped pollutants at the lowest elevations at the center of the Uintah Basin and yielded the worst WRF performance in simulating inversion layer structure among the four sensitivity tests. The results of this study illustrate the importance of carefully considering the representativeness and quality of the observational and model analysis data sets when applying nudging techniques within stable PBLs, and the need to evaluate model results on a basin-wide scale.

Analysis of the Characteristics of a Rotary Stepper Micromotor

NASA Astrophysics Data System (ADS)

Sone, Junji; Mizuma, Toshinari; Masunaga, Masakazu; Mochizuki, Shunsuke; Sarajic, Edin; Yamahata, Christophe; Fujita, Hiroyuki

A 3-phase electrostatic stepper micromotor was developed. To improve its performance for actual use, we have conducted numerical simulation to optimize the design. An improved simulation method is needed for calculation of various cases. To conduct circuit simulation of this micromotor, its structure is simplified, and a function for computing the force excited by the electrostatic field is added to the circuit simulator. We achieved a reasonably accurate simulation. We also considered an optimal drive waveform to achieve low-voltage operation.

Precursor Wave Emission Enhanced by Weibel Instability in Relativistic Shocks

NASA Astrophysics Data System (ADS)

Iwamoto, Masanori; Amano, Takanobu; Hoshino, Masahiro; Matsumoto, Yosuke

2018-05-01

We investigated the precursor wave emission efficiency in magnetized purely perpendicular relativistic shocks in pair plasmas. We extended our previous study to include the dependence of upstream magnetic field orientations. We performed two-dimensional particle-in-cell simulations and focused on two magnetic field orientations: the magnetic field in the simulation plane (i.e., in-plane configuration) and that perpendicular to the simulation plane (i.e., out-of-plane configuration). Our simulations in the in-plane configuration demonstrated that not only extraordinary but also ordinary mode waves are excited. We quantified the emission efficiency as a function of the magnetization parameter σ e and found that the large-amplitude precursor waves are emitted for a wide range of σ e . We found that especially at low σ e , the magnetic field generated by Weibel instability amplifies the ordinary mode wave power. The amplitude is large enough to perturb the upstream plasma, and transverse density filaments are generated as in the case of the out-of-plane configuration investigated in the previous study. We confirmed that our previous conclusion holds regardless of upstream magnetic field orientations with respect to the two-dimensional simulation plane. We discuss the precursor wave emission in three dimensions and the feasibility of wakefield acceleration in relativistic shocks based on our results.

RANS simulation of cavitation and hull pressure fluctuation for marine propeller operating behind-hull condition

NASA Astrophysics Data System (ADS)

Paik, Kwang-Jun; Park, Hyung-Gil; Seo, Jongsoo

2013-12-01

Simulations of cavitation flow and hull pressure fluctuation for a marine propeller operating behind a hull using the unsteady Reynolds-Averaged Navier-Stokes equations (RANS) are presented. A full hull body submerged under the free surface is modeled in the computational domain to simulate directly the wake field of the ship at the propeller plane. Simulations are performed in design and ballast draught conditions to study the effect of cavitation number. And two propellers with slightly different geometry are simulated to validate the detectability of the numerical simulation. All simulations are performed using a commercial CFD software FLUENT. Cavitation patterns of the simulations show good agreement with the experimental results carried out in Samsung CAvitation Tunnel (SCAT). The simulation results for the hull pressure fluctuation induced by a propeller are also compared with the experimental results showing good agreement in the tendency and amplitude, especially, for the first blade frequency.

Microgravity simulation by diamagnetic levitation: effects of a strong gradient magnetic field on the transcriptional profile of Drosophila melanogaster.

PubMed

Herranz, Raul; Larkin, Oliver J; Dijkstra, Camelia E; Hill, Richard J A; Anthony, Paul; Davey, Michael R; Eaves, Laurence; van Loon, Jack J W A; Medina, F Javier; Marco, Roberto

2012-02-01

Many biological systems respond to the presence or absence of gravity. Since experiments performed in space are expensive and can only be undertaken infrequently, Earth-based simulation techniques are used to investigate the biological response to weightlessness. A high gradient magnetic field can be used to levitate a biological organism so that its net weight is zero. We have used a superconducting magnet to assess the effect of diamagnetic levitation on the fruit fly D. melanogaster in levitation experiments that proceeded for up to 22 consecutive days. We have compared the results with those of similar experiments performed in another paradigm for microgravity simulation, the Random Positioning Machine (RPM). We observed a delay in the development of the fruit flies from embryo to adult. Microarray analysis indicated changes in overall gene expression of imagoes that developed from larvae under diamagnetic levitation, and also under simulated hypergravity conditions. Significant changes were observed in the expression of immune-, stress-, and temperature-response genes. For example, several heat shock proteins were affected. We also found that a strong magnetic field, of 16.5 Tesla, had a significant effect on the expression of these genes, independent of the effects associated with magnetically-induced levitation and hypergravity. Diamagnetic levitation can be used to simulate an altered effective gravity environment in which gene expression is tuned differentially in diverse Drosophila melanogaster populations including those of different age and gender. Exposure to the magnetic field per se induced similar, but weaker, changes in gene expression.

Microgravity simulation by diamagnetic levitation: effects of a strong gradient magnetic field on the transcriptional profile of Drosophila melanogaster

PubMed Central

2012-01-01

Background Many biological systems respond to the presence or absence of gravity. Since experiments performed in space are expensive and can only be undertaken infrequently, Earth-based simulation techniques are used to investigate the biological response to weightlessness. A high gradient magnetic field can be used to levitate a biological organism so that its net weight is zero. Results We have used a superconducting magnet to assess the effect of diamagnetic levitation on the fruit fly D. melanogaster in levitation experiments that proceeded for up to 22 consecutive days. We have compared the results with those of similar experiments performed in another paradigm for microgravity simulation, the Random Positioning Machine (RPM). We observed a delay in the development of the fruit flies from embryo to adult. Microarray analysis indicated changes in overall gene expression of imagoes that developed from larvae under diamagnetic levitation, and also under simulated hypergravity conditions. Significant changes were observed in the expression of immune-, stress-, and temperature-response genes. For example, several heat shock proteins were affected. We also found that a strong magnetic field, of 16.5 Tesla, had a significant effect on the expression of these genes, independent of the effects associated with magnetically-induced levitation and hypergravity. Conclusions Diamagnetic levitation can be used to simulate an altered effective gravity environment in which gene expression is tuned differentially in diverse Drosophila melanogaster populations including those of different age and gender. Exposure to the magnetic field per se induced similar, but weaker, changes in gene expression. PMID:22296880

Development of an electromechanical principle for wet and dry milling

NASA Astrophysics Data System (ADS)

Halbedel, Bernd; Kazak, Oleg

2018-05-01

The paper presents a novel electromechanical principle for wet and dry milling of different materials, in which the milling beads are moved under a time- and local-variable magnetic field. A possibility to optimize the milling process in such a milling machine by simulation of the vector gradient distribution of the electromagnetic field in the process room is presented. The mathematical model and simulation methods based on standard software packages are worked out. The results of numerical simulations and experimental measurements of the electromagnetic field in the working chamber of a developed and manufactured laboratory plant correlate well with each other. Using the obtained operating parameters, dry milling experiments with crushed cement clinker and wet milling experiments of organic agents in the laboratory plant are performed and the results are discussed here.

ATK-ForceField: a new generation molecular dynamics software package

NASA Astrophysics Data System (ADS)

Schneider, Julian; Hamaekers, Jan; Chill, Samuel T.; Smidstrup, Søren; Bulin, Johannes; Thesen, Ralph; Blom, Anders; Stokbro, Kurt

2017-12-01

ATK-ForceField is a software package for atomistic simulations using classical interatomic potentials. It is implemented as a part of the Atomistix ToolKit (ATK), which is a Python programming environment that makes it easy to create and analyze both standard and highly customized simulations. This paper will focus on the atomic interaction potentials, molecular dynamics, and geometry optimization features of the software, however, many more advanced modeling features are available. The implementation details of these algorithms and their computational performance will be shown. We present three illustrative examples of the types of calculations that are possible with ATK-ForceField: modeling thermal transport properties in a silicon germanium crystal, vapor deposition of selenium molecules on a selenium surface, and a simulation of creep in a copper polycrystal.

A theoretical study of the dissociation of the sI methane hydrate induced by an external electric field

NASA Astrophysics Data System (ADS)

Luis, D. P.; Herrera-Hernández, E. C.; Saint-Martin, H.

2015-11-01

Molecular dynamics simulations in the equilibrium isobaric—isothermal (NPT) ensemble were used to examine the strength of an external electric field required to dissociate the methane hydrate sI structure. The water molecules were modeled using the four-site TIP4P/Ice analytical potential and methane was described as a simple Lennard-Jones interaction site. A series of simulations were performed at T = 260 K with P = 80 bars and at T = 285 K with P = 400 bars with an applied electric field ranging from 1.0 V nm-1 to 5.0 V nm-1. For both (T,P) conditions, applying a field greater than 1.5 V nm-1 resulted in the orientation of the water molecules such that an ice Ih-type structure was formed, from which the methane was segregated. When the simulations were continued without the external field, the ice-like structures became disordered, resulting in two separate phases: gas methane and liquid water.

Use of advanced particle methods in modeling space propulsion and its supersonic expansions

NASA Astrophysics Data System (ADS)

Borner, Arnaud

This research discusses the use of advanced kinetic particle methods such as Molecular Dynamics (MD) and direct simulation Monte Carlo (DSMC) to model space propulsion systems such as electrospray thrusters and their supersonic expansions. MD simulations are performed to model an electrospray thruster for the ionic liquid (IL) EMIM--BF4 using coarse-grained (CG) potentials. The model is initially featuring a constant electric field applied in the longitudinal direction. Two coarse-grained potentials are compared, and the effective-force CG (EFCG) potential is found to predict the formation of the Taylor cone, the cone-jet, and other extrusion modes for similar electric fields and mass flow rates observed in experiments of a IL fed capillary-tip-extractor system better than the simple CG potential. Later, one-dimensional and fully transient three-dimensional electric fields, the latter solving Poisson's equation to take into account the electric field due to space charge at each timestep, are computed by coupling the MD model to a Poisson solver. It is found that the inhomogeneous electric field as well as that of the IL space-charge improve agreement between modeling and experiment. The boundary conditions (BCs) are found to have a substantial impact on the potential and electric field, and the tip BC is introduced and compared to the two previous BCs, named plate and needle, showing good improvement by reducing unrealistically high radial electric fields generated in the vicinity of the capillary tip. The influence of the different boundary condition models on charged species currents as a function of the mass flow rate is studied, and it is found that a constant electric field model gives similar agreement to the more rigorous and computationally expensive tip boundary condition at lower flow rates. However, at higher mass flow rates the MD simulations with the constant electric field produces extruded particles with higher Coulomb energy per ion, consistent with droplet formation. Supersonic expansions to vacuum produce clusters of sufficiently small size that properties such as heat capacities and latent heat of evaporation cannot be described by bulk vapor thermodynamic values. Therefore, MD simulations are performed to compute the evaporation rate of small water clusters as a function of temperature and size and the rates are found to agree with Unimolecular Dissociation Theory (UDT) and Classical Nucleation Theory (CNT). The heat capacities and latent heat of vaporization obtained from Monte-Carlo Canonical-Ensemble (MCCE) simulations are used in DSMC simulations of two experiments that measured Rayleigh scattering and terminal dimer mole fraction of supersonic water-jet expansions. Water-cluster temperature and size are found to be influenced by the use of kinetic rather than thermodynamic heat-capacity and latent-heat values as well as the nucleation model. Additionally, MD simulations of water condensation in a one-dimensional free expansion are performed to simulate the conditions in the core of a plume. We find that the internal structure of the clusters formed depends on the stagnation temperature conditions. Clusters of sizes 21 and 324 are studied in detail, and their radial distribution functions (RDF) are computed and compared to reported RDFs for solid amorphous ice clusters. Dielectric properties of liquid water and water clusters are investigated, and the static dielectric constant, dipole moment autocorrelation function and relative permittivity are computed by means of MD simulations.

Comparing Molecular Dynamics Force Fields in the Essential Subspace

PubMed Central

Gomez-Puertas, Paulino; Boomsma, Wouter; Lindorff-Larsen, Kresten

2015-01-01

The continued development and utility of molecular dynamics simulations requires improvements in both the physical models used (force fields) and in our ability to sample the Boltzmann distribution of these models. Recent developments in both areas have made available multi-microsecond simulations of two proteins, ubiquitin and Protein G, using a number of different force fields. Although these force fields mostly share a common mathematical form, they differ in their parameters and in the philosophy by which these were derived, and previous analyses showed varying levels of agreement with experimental NMR data. To complement the comparison to experiments, we have performed a structural analysis of and comparison between these simulations, thereby providing insight into the relationship between force-field parameterization, the resulting ensemble of conformations and the agreement with experiments. In particular, our results show that, at a coarse level, many of the motional properties are preserved across several, though not all, force fields. At a finer level of detail, however, there are distinct differences in both the structure and dynamics of the two proteins, which can, together with comparison with experimental data, help to select force fields for simulations of proteins. A noteworthy observation is that force fields that have been reparameterized and improved to provide a more accurate energetic description of the balance between helical and coil structures are difficult to distinguish from their “unbalanced” counterparts in these simulations. This observation implies that simulations of stable, folded proteins, even those reaching 10 microseconds in length, may provide relatively little information that can be used to modify torsion parameters to achieve an accurate balance between different secondary structural elements. PMID:25811178

The Combat Vehicle Command and Control System. Combat Performance of Armor Battalions Using Distributed Interactive Simulation

DTIC Science & Technology

1993-09-16

research staff members manned the TOC, and assumed key roles in the battalion staff. TOC staff members were selected for their extensive military ...CRA&I DTIC TAB Unannounced 0 Justification SBy - Distibution I Availability Codes Avail and / or Dist SpecialI 1 Field Unit at Fort Knox, Kentucky...Project Number Training Simulation 3 Approved for public release; distribution is unlimited. I iii I I I FOREWORD The Fort Knox Field Unit of the U.S

Impact of different meander sizes on the RF transmit performance and coupling of microstrip line elements at 7 T.

PubMed

Rietsch, Stefan H G; Quick, Harald H; Orzada, Stephan

2015-08-01

In this work, the transmit performance and interelement coupling characteristics of radio frequency (RF) antenna microstrip line elements are examined in simulations and measurements. The initial point of the simulations is a microstrip line element loaded with a phantom. Meander structures are then introduced at the end of the element. The size of the meanders is increased in fixed steps and the magnetic field is optimized. In continuative simulations, the coupling between identical elements is evaluated for different element spacing and loading conditions. Verification of the simulation results is accomplished in measurements of the coupling between two identical elements for four different meander sizes. Image acquisition on a 7 T magnetic resonance imaging (MRI) system provides qualitative and quantitative comparisons to confirm the simulation results. Simulations point out an optimum range of meander sizes concerning coupling in all chosen geometric setups. Coupling measurement results are in good agreement with the simulations. Qualitative and quantitative comparisons of the acquired MRI images substantiate the coupling results. The coupling between coil elements in RF antenna arrays consisting of the investigated element types can be optimized under consideration of the central magnetic field strength or efficiency depending on the desired application.

Spatial encoding using the nonlinear field perturbations from magnetic materials.

PubMed

Karimi, Hirad; Dominguez-Viqueira, William; Cunningham, Charles H

2014-08-01

A proof-of-concept study was performed to assess the technical feasibility of using magnetic materials to generate spatial encoding fields. Spatially varying magnetic fields were generated by the placement of markers with different volume susceptibilities within the imaging volume. No linear gradients were used for spatial encoding during the signal acquisition. A signal-encoding model is described for reconstructing the images encoded with these field perturbations. Simulation and proof-of-concept experimental results are presented. Experiments were performed using field perturbations from a cylindrical marker as an example of the new encoding fields. Based on this experimental setup, annular rings were reconstructed from signals encoded with the new fields. Simulation results were presented for different acquisition parameters. Proof-of-concept was supported by the correspondence of regions in an image reconstructed from experimental data compared to those in a conventional gradient-echo image. Experimental results showed that inclusions of dimensions 1.5 mm in size could be resolved with the experimental setup. This study shows the technical feasibility of using magnetic markers to produce encoding fields. Magnetic materials will allow generating spatial encoding fields, which can be tailored to an imaging application with less complexity and at lower cost compared to the use of gradient inserts. Copyright © 2013 Wiley Periodicals, Inc.

Characteristics of energy harvesting using BaTiO3/Cu laminates with changes in temperature

NASA Astrophysics Data System (ADS)

Mori, K.; Takeuchi, H.; Narita, F.

2018-03-01

The energy harvesting characteristics of piezoelectric/copper (BaTiO3/Cu) laminates rising from sharp temperature changes were investigated both numerically and experimentally. First, a phase field simulation was performed to determine the temperature-dependent piezoelectric coefficient and permittivity values. Then, the output voltages of the BaTiO3/Cu laminates were calculated for variations from room temperature to either a cryogenic temperature (77 K) or a higher temperature (333 K) using a 3D finite element simulation with the properties calculated from the phase field simulation. Finally, the output voltages of the piezoelectric BaTiO3/Cu laminates were measured for the same temperature changes and were compared to the simulation results.

Computer Simulations of Intrinsically Disordered Proteins

NASA Astrophysics Data System (ADS)

Chong, Song-Ho; Chatterjee, Prathit; Ham, Sihyun

2017-05-01

The investigation of intrinsically disordered proteins (IDPs) is a new frontier in structural and molecular biology that requires a new paradigm to connect structural disorder to function. Molecular dynamics simulations and statistical thermodynamics potentially offer ideal tools for atomic-level characterizations and thermodynamic descriptions of this fascinating class of proteins that will complement experimental studies. However, IDPs display sensitivity to inaccuracies in the underlying molecular mechanics force fields. Thus, achieving an accurate structural characterization of IDPs via simulations is a challenge. It is also daunting to perform a configuration-space integration over heterogeneous structural ensembles sampled by IDPs to extract, in particular, protein configurational entropy. In this review, we summarize recent efforts devoted to the development of force fields and the critical evaluations of their performance when applied to IDPs. We also survey recent advances in computational methods for protein configurational entropy that aim to provide a thermodynamic link between structural disorder and protein activity.

The Effects of Dextromethorphan on Driving Performance and the Standardized Field Sobriety Test.

PubMed

Perry, Paul J; Fredriksen, Kristian; Chew, Stephanie; Ip, Eric J; Lopes, Ingrid; Doroudgar, Shadi; Thomas, Kelan

2015-09-01

Dextromethorphan (DXM) is abused most commonly among adolescents as a recreational drug to generate a dissociative experience. The objective of the study was to assess driving with and without DXM ingestion. The effects of one-time maximum daily doses of DXM 120 mg versus a guaifenesin 400 mg dose were compared among 40 healthy subjects using a crossover design. Subjects' ability to drive was assessed by their performance in a driving simulator (STISIM® Drive driving simulator software) and by conducting a standardized field sobriety test (SFST) administered 1-h postdrug administration. The one-time dose of DXM 120 mg did not demonstrate driving impairment on the STISIM® Drive driving simulator or increase SFST failures compared to guaifenesin 400 mg. Doses greater than the currently recommended maximum daily dose of 120 mg are necessary to perturb driving behavior. © 2015 American Academy of Forensic Sciences.

Field assessment and enhancement of cognitive performance: development of an ambulatory vigilance monitor.

PubMed

Lieberman, Harris R; Kramer, F Matthew; Montain, Scott J; Niro, Philip

2007-05-01

Limited opportunities to study human cognitive performance in non-laboratory, ambulatory situations exist. However, advances in technology make it possible to extend behavioral assessments to the field. One of the first devices to measure human behavior in the field was the wrist-worn actigraph. This device acquires minute-by-minute information on an individual's physical activity and can distinguish sleep from waking, the most basic aspect of behavior. Our laboratory developed a series of wrist-worn devices, not much larger than a watch, which assess reaction time, vigilance and memory. The devices concurrently assess motor activity with greater temporal resolution than standard actigraphs. They also continuously monitor multiple environmental variables including temperature, humidity, sound, and light. These monitors have been employed during training and simulated military operations to collect behavioral and environmental information that would typically be unavailable under such circumstances. Development of the vigilance monitor, and how each successive version extended capabilities of the device are described. Data from several studies are presented, including studies conducted in harsh field environments during a simulated infantry assault, an officer training course. The monitors simultaneously documented environmental conditions, patterns of sleep and activity and effects of nutritional manipulations on cognitive performance. They provide a new method to relate cognitive performance to real world environmental conditions and assess effects of various interventions on human behavior in the field. They can also monitor cognitive performance in real time, and if it is degraded, attempt to intervene to maintain

High Fidelity Simulation Experience in Emergency settings: doctors and nurses satisfaction levels.

PubMed

Calamassi, Diletta; Nannelli, Tiziana; Guazzini, Andrea; Rasero, Laura; Bambi, Stefano

2016-11-22

Lots of studies describe High Fidelity Simulation (HFS) as an experience well-accepted by the learners. This study has explored doctors and nurses satisfaction levels during HFS sessions, searching the associations with the setting of simulation events (simulation center or on the field simulation). Moreover, we studied the correlation between HFS experience satisfaction levels and the socio-demographic features of the participants. Mixed method study, using the Satisfaction of High-Fidelity Simulation Experience (SESAF) questionnaire through an online survey. SESAF was administered to doctors and nurses who previously took part to HFS sessions in a simulation center or in the field. Quantitative data were analyzed through descriptive and inferential statistics methods; qualitative data was performed through the Giorgi method. 143 doctors and 94 nurses filled the questionnaire. The satisfaction level was high: on a 10 points scale, the mean score was 8.17 (SD±1.924). There was no significant difference between doctors and nurses satisfaction levels in almost all the SESAF factors. We didn't find any correlation between gender and HFS experience satisfaction levels. The knowledge of theoretical aspects of the simulated case before the HFS experience is related to a higher general satisfaction (r=0.166 p=0.05), a higher effectiveness of debriefing (r=0,143 p=0,05), and a higher professional impact (r=0.143 p=0.05). The respondents that performed a HFS on the field, were more satisfied than the others, and experienced a higher "professional impact", "clinical reasoning and self efficacy", and "team dynamics" (p< 0,01). Narrative data suggest that HFS facilitators should improve their behaviors during the debriefing. Healthcare managers should extend the HFS to all kind of healthcare workers in real clinical settings. There is the need to improve and implement the communication competences of HFS facilitators.

Experimental verification and simulation of negative index of refraction using Snell's law.

PubMed

Parazzoli, C G; Greegor, R B; Li, K; Koltenbah, B E C; Tanielian, M

2003-03-14

We report the results of a Snell's law experiment on a negative index of refraction material in free space from 12.6 to 13.2 GHz. Numerical simulations using Maxwell's equations solvers show good agreement with the experimental results, confirming the existence of negative index of refraction materials. The index of refraction is a function of frequency. At 12.6 GHz we measure and compute the real part of the index of refraction to be -1.05. The measurements and simulations of the electromagnetic field profiles were performed at distances of 14lambda and 28lambda from the sample; the fields were also computed at 100lambda.

Laser-Free Cold-Atom Gymnastics

NASA Astrophysics Data System (ADS)

Gould, Harvey; Feinberg, Benedict; Munger, Charles T., Jr.; Nishimura, Hiroshi

2017-01-01

We have performed beam transport simulations on ultra cold (2 μK) and cold (130 μK) neutral Cs atoms in the F = M = + 4 (magnetic weak-field seeking) ground state. We use inhomogeneous magnetic fields to focus and accelerate the atoms. Acceleration of neutral atoms by an inhomogeneous magnetic field was demonstrated by Stern and Gerlach in 1922. In the simulations, a two mm diameter cloud of atoms is released to fall under gravity. A magnetic coil focuses the falling atoms. After falling 41 cm, the atoms are reflected in the magnetic fringe field of a solenoid. They return to their starting height, about 0.7 s later, having passed a second time through the focusing coil. The simulations show that > 98 % of ultra cold Cs atoms and > 70 % of cold Cs atoms will survive at least 15 round trips (assuming perfect vacuum). More than 100 simulations were run to optimize coil currents and focusing coil diameter and height. Simulations also show that atoms can be launched into a fountain. An experimental apparatus to test the simulations, is being constructed. This technique may find application in atomic fountain clocks, interferometers, and gravitometers, and may be adaptable for use in microgravity. It may also work with Bose-Einstein condensates of paramagnetic atoms.

FACTORS INFLUENCING THE DESIGN OF BIOACCUMULATION FACTOR AND BIOTA-SEDIMENT ACCUMULATION FACTOR FIELD STUDIES

EPA Science Inventory

General guidance for designing field studies to measure bioaccumulation factors (BAFs) and biota-sediment accumulation factors (BSAFs) is not available. To develop such guidance, a series of modeling simulations were performed to evaluate the underlying factors and principles th...

High-order-harmonic generation from H2+ molecular ions near plasmon-enhanced laser fields

NASA Astrophysics Data System (ADS)

Yavuz, I.; Tikman, Y.; Altun, Z.

2015-08-01

Simulations of plasmon-enhanced high-order-harmonic generation are performed for a H2+ molecular cation near the metallic nanostructures. We employ the numerical solution of the time-dependent Schrödinger equation in reduced coordinates. We assume that the main axis of H2+ is aligned perfectly with the polarization direction of the plasmon-enhanced field. We perform systematic calculations on plasmon-enhanced harmonic generation based on an infinite-mass approximation, i.e., pausing nuclear vibrations. Our simulations show that molecular high-order-harmonic generation from plasmon-enhanced laser fields is possible. We observe the dispersion of a plateau of harmonics when the laser field is plasmon enhanced. We find that the maximum kinetic energy of the returning electron follows 4 Up . We also find that when nuclear vibrations are enabled, the efficiency of the harmonics is greatly enhanced relative to that of static nuclei. However, the maximum kinetic energy 4 Up is largely maintained.

Leveraging simulation to evaluate system performance in presence of fixed pattern noise

NASA Astrophysics Data System (ADS)

Teaney, Brian P.

2017-05-01

The development of image simulation techniques which map the effects of a notional, modeled sensor system onto an existing image can be used to evaluate the image quality of camera systems prior to the development of prototype systems. In addition, image simulation or `virtual prototyping' can be utilized to reduce the time and expense associated with conducting extensive field trials. In this paper we examine the development of a perception study designed to assess the performance of the NVESD imager performance metrics as a function of fixed pattern noise. This paper discusses the development of the model theory and the implementation and execution of the perception study. In addition, other applications of the image simulation component including the evaluation of limiting resolution and other test targets is provided.

NASCAP simulation of laboratory charging tests using multiple electron guns

NASA Technical Reports Server (NTRS)

Mandell, M. J.; Katz, I.; Parks, D. E.

1981-01-01

NASCAP calculations have been performed simulating exposure of a spacecraft-like model to multiple electron guns. The results agree well with experiment. It is found that magnetic field effects are fairly small, but substantial differential charging can result from electron gun placement. Conditions for surface flashover are readily achieved.

Adaptive control of a manipulator with a flexible link

NASA Technical Reports Server (NTRS)

Yang, Y. P.; Gibson, J. S.

1988-01-01

An adaptive controller for a manipulator with one rigid link and one flexible link is presented. The performance and robustness of the controller are demonstrated by numerical simulation results. In the simulations, the manipulator moves in a gravitational field and a finite element model represents the flexible link.

SCALE-UP OF RAPID SMALL-SCALE ADSORPTION TESTS TO FIELD-SCALE ADSORBERS: THEORETICAL AND EXPERIMENTAL BASIS

EPA Science Inventory

Design of full-scale adsorption systems typically includes expensive and time-consuming pilot studies to simulate full-scale adsorber performance. Accordingly, the rapid small-scale column test (RSSCT) was developed and evaluated experimentally. The RSSCT can simulate months of f...

Predicting Motor Vehicle Collisions in a Driving Simulator in Young Adults Using the Useful Field of View Assessment.

PubMed

McManus, Benjamin; Cox, Molly K; Vance, David E; Stavrinos, Despina

2015-01-01

Being involved in motor vehicle collisions is the leading cause of death in 1- to 34-year-olds, and risk is particularly high in young adults. The Useful Field of View (UFOV) task, a cognitive measure of processing speed, divided attention, and selective attention, has been shown to be predictive of motor vehicle collisions in older adults, but its use as a predictor of driving performance in a young adult population has not been investigated. The present study examined whether UFOV was a predictive measure of motor vehicle collisions in a driving simulator in a young adult population. The 3-subtest version of UFOV (lower scores measured in milliseconds indicate better performance) was administered to 60 college students. Participants also completed an 11-mile simulated drive to provide driving performance metrics. Findings suggested that subtests 1 and 2 suffered from a ceiling effect. UFOV subtest 3 significantly predicted collisions in the simulated drive. Each 30 ms slower on the subtest was associated with nearly a 10% increase in the risk of a simulated collision. Post hoc analyses revealed a small partially mediating effect of subtest 3 on the relationship between driving experience and collisions. The selective attention component of UFOV subtest 3 may be a predictive measure of crash involvement in a young adult population. Improvements in selective attention may be the underlying mechanism in how driving experience improves driving performance.

"More may mean less... " the role for simulation-based medical education in the cardiac catheterization laboratory.

PubMed

Westerdahl, Daniel E; Henry, Timothy D

2016-02-15

Implementation of simulation-based medical education (SBME) can improve cardiovascular fellows' angiography skills and knowledge SBME focused on performing coronary angiography shortened procedure times and decreased the use of cine-fluoroscopy The ACGME mandate and SCAI's Simulation Committee recommendations suggest SBME will play an expanding and integral role in the field of cardiovascular medicine. © 2016 Wiley Periodicals, Inc.

Situation Awareness and Levels of Automation: Empirical Assessment of Levels of Automation in the Commercial Cockpit

NASA Technical Reports Server (NTRS)

Kaber, David B.; Schutte, Paul C. (Technical Monitor)

2000-01-01

This report has been prepared to closeout a NASA grant to Mississippi State University (MSU) for research into situation awareness (SA) and automation in the advanced commercial aircraft cockpit. The grant was divided into two obligations including $60,000 for the period from May 11, 2000 to December 25, 2000. The information presented in this report summarizes work completed through this obligation. It also details work to be completed with the balance of the current obligation and unobligated funds amounting to $50,043, which are to be granted to North Carolina State University for completion of the research project from July 31, 2000 to May 10, 2001. This research was to involve investigation of a broad spectrum of degrees of automation of complex systems on human-machine performance and SA. The work was to empirically assess the effect of theoretical levels of automation (LOAs) described in a taxonomy developed by Endsley & Kaber (1999) on naive and experienced subject performance and SA in simulated flight tasks. The study was to be conducted in the context of a realistic simulation of aircraft flight control. The objective of this work was to identify LOAs that effectively integrate humans and machines under normal operating conditions and failure modes. In general, the work was to provide insight into the design of automation in the commercial aircraft cockpit. Both laboratory and field investigations were to be conducted. At this point in time, a high-fidelity flight simulator of the McDonald Douglas (MD) 11 aircraft has been completed. The simulator integrates a reconfigurable flight simulator developed by the Georgia Institute of Technology and stand-alone simulations of MD-11 autoflight systems developed at MSU. Use of the simulator has been integrated into a study plan for the laboratory research and it is expected that the simulator will also be used in the field study with actual commercial pilots. In addition to the flight simulator, an electronic version of the Situation Awareness Global Assessment Technique (SAGAT) has been completed for measuring commercial pilot SA in flight tasks. The SAGAT is to be used in both the lab and field studies. Finally, the lab study has been designed and subjects have been recruited for participation in experiments. This study will investigate the effects of five levels of automation, described in Endsley & Kaber's (1999) taxonomy and applied to the MD-11 autoflight system, on private pilot performance and SA in basic flight tasks by using the MD-11 simulator. The field study remains to be planned and executed.

Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities.

PubMed

Heinz, Hendrik; Ramezani-Dakhel, Hadi

2016-01-21

Natural and man-made materials often rely on functional interfaces between inorganic and organic compounds. Examples include skeletal tissues and biominerals, drug delivery systems, catalysts, sensors, separation media, energy conversion devices, and polymer nanocomposites. Current laboratory techniques are limited to monitor and manipulate assembly on the 1 to 100 nm scale, time-consuming, and costly. Computational methods have become increasingly reliable to understand materials assembly and performance. This review explores the merit of simulations in comparison to experiment at the 1 to 100 nm scale, including connections to smaller length scales of quantum mechanics and larger length scales of coarse-grain models. First, current simulation methods, advances in the understanding of chemical bonding, in the development of force fields, and in the development of chemically realistic models are described. Then, the recognition mechanisms of biomolecules on nanostructured metals, semimetals, oxides, phosphates, carbonates, sulfides, and other inorganic materials are explained, including extensive comparisons between modeling and laboratory measurements. Depending on the substrate, the role of soft epitaxial binding mechanisms, ion pairing, hydrogen bonds, hydrophobic interactions, and conformation effects is described. Applications of the knowledge from simulation to predict binding of ligands and drug molecules to the inorganic surfaces, crystal growth and shape development, catalyst performance, as well as electrical properties at interfaces are examined. The quality of estimates from molecular dynamics and Monte Carlo simulations is validated in comparison to measurements and design rules described where available. The review further describes applications of simulation methods to polymer composite materials, surface modification of nanofillers, and interfacial interactions in building materials. The complexity of functional multiphase materials creates opportunities to further develop accurate force fields, including reactive force fields, and chemically realistic surface models, to enable materials discovery at a million times lower computational cost compared to quantum mechanical methods. The impact of modeling and simulation could further be increased by the advancement of a uniform simulation platform for organic and inorganic compounds across the periodic table and new simulation methods to evaluate system performance in silico.

Optical simulations of laser focusing for optimization of laser betatron

NASA Astrophysics Data System (ADS)

Stanke, L.; Thakur, A.; Šmíd, M.; Gu, Y. J.; Falk, K.

2017-05-01

This work presents optical simulations that are used to design a betatron driven by a short-pulse laser based on the Laser Wakefield Acceleration (LWFA) concept. These simulations explore how the optical setup and its components influence the performance of the betatron. The impact of phase irregularities induced by optical elements is investigated. In order to obtain a good estimate of the future performance of this design a combination of two distinct techniques are used - Field Tracing for optical simulations employing a combination of the Zemax and VirtualLab computational platforms for the laser beam propagation and focusing with the given optical system and particle-in-cell simulation (PIC) for simulating the short-pulse laser interaction with a gas target. The result of the optical simulations serves as an input for the PIC simulations. Application of Field Tracing in combination with the PIC for the purposes of high power laser facility introduces the new application for VirtualLab Fusion. Based on the result of these simulations an alternative design with a hole in the final folding mirror coupled with a spherical focusing mirror is considered in favour of more commonly used off-axis parabola focusing setup. Results are demonstrating, that the decrease of the irradiance due to the presence of the central hole in the folding mirror is negligible (9.69× 1019 W/cm2 for the case without the hole vs. 9.73× 1019 W/cm2 for the case with hole). However, decrease caused by the surface irregularities (surface RMS λ/4 , λ/20 and λ/40 ) is more significant and leads to the poor performance of particle production.

A dual communicator and dual grid-resolution algorithm for petascale simulations of turbulent mixing at high Schmidt number

NASA Astrophysics Data System (ADS)

Clay, M. P.; Buaria, D.; Gotoh, T.; Yeung, P. K.

2017-10-01

A new dual-communicator algorithm with very favorable performance characteristics has been developed for direct numerical simulation (DNS) of turbulent mixing of a passive scalar governed by an advection-diffusion equation. We focus on the regime of high Schmidt number (S c), where because of low molecular diffusivity the grid-resolution requirements for the scalar field are stricter than those for the velocity field by a factor √{ S c }. Computational throughput is improved by simulating the velocity field on a coarse grid of Nv3 points with a Fourier pseudo-spectral (FPS) method, while the passive scalar is simulated on a fine grid of Nθ3 points with a combined compact finite difference (CCD) scheme which computes first and second derivatives at eighth-order accuracy. A static three-dimensional domain decomposition and a parallel solution algorithm for the CCD scheme are used to avoid the heavy communication cost of memory transposes. A kernel is used to evaluate several approaches to optimize the performance of the CCD routines, which account for 60% of the overall simulation cost. On the petascale supercomputer Blue Waters at the University of Illinois, Urbana-Champaign, scalability is improved substantially with a hybrid MPI-OpenMP approach in which a dedicated thread per NUMA domain overlaps communication calls with computational tasks performed by a separate team of threads spawned using OpenMP nested parallelism. At a target production problem size of 81923 (0.5 trillion) grid points on 262,144 cores, CCD timings are reduced by 34% compared to a pure-MPI implementation. Timings for 163843 (4 trillion) grid points on 524,288 cores encouragingly maintain scalability greater than 90%, although the wall clock time is too high for production runs at this size. Performance monitoring with CrayPat for problem sizes up to 40963 shows that the CCD routines can achieve nearly 6% of the peak flop rate. The new DNS code is built upon two existing FPS and CCD codes. With the grid ratio Nθ /Nv = 8, the disparity in the computational requirements for the velocity and scalar problems is addressed by splitting the global communicator MPI_COMM_WORLD into disjoint communicators for the velocity and scalar fields, respectively. Inter-communicator transfer of the velocity field from the velocity communicator to the scalar communicator is handled with discrete send and non-blocking receive calls, which are overlapped with other operations on the scalar communicator. For production simulations at Nθ = 8192 and Nv = 1024 on 262,144 cores for the scalar field, the DNS code achieves 94% strong scaling relative to 65,536 cores and 92% weak scaling relative to Nθ = 1024 and Nv = 128 on 512 cores.

Optimal spinneret layout in Von Koch curves of fractal theory based needleless electrospinning process

NASA Astrophysics Data System (ADS)

Yang, Wenxiu; Liu, Yanbo; Zhang, Ligai; Cao, Hong; Wang, Yang; Yao, Jinbo

2016-06-01

Needleless electrospinning technology is considered as a better avenue to produce nanofibrous materials at large scale, and electric field intensity and its distribution play an important role in controlling nanofiber diameter and quality of the nanofibrous web during electrospinning. In the current study, a novel needleless electrospinning method was proposed based on Von Koch curves of Fractal configuration, simulation and analysis on electric field intensity and distribution in the new electrospinning process were performed with Finite element analysis software, Comsol Multiphysics 4.4, based on linear and nonlinear Von Koch fractal curves (hereafter called fractal models). The result of simulation and analysis indicated that Second level fractal structure is the optimal linear electrospinning spinneret in terms of field intensity and uniformity. Further simulation and analysis showed that the circular type of Fractal spinneret has better field intensity and distribution compared to spiral type of Fractal spinneret in the nonlinear Fractal electrospinning technology. The electrospinning apparatus with the optimal Von Koch fractal spinneret was set up to verify the theoretical analysis results from Comsol simulation, achieving more uniform electric field distribution and lower energy cost, compared to the current needle and needleless electrospinning technologies.

Global Simulations of Dynamo and Magnetorotational Instability in Madison Plasma Experiments and Astrophysical Disks

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

Ebrahimi, Fatima

2014-07-31

Large-scale magnetic fields have been observed in widely different types of astrophysical objects. These magnetic fields are believed to be caused by the so-called dynamo effect. Could a large-scale magnetic field grow out of turbulence (i.e. the alpha dynamo effect)? How could the topological properties and the complexity of magnetic field as a global quantity, the so called magnetic helicity, be important in the dynamo effect? In addition to understanding the dynamo mechanism in astrophysical accretion disks, anomalous angular momentum transport has also been a longstanding problem in accretion disks and laboratory plasmas. To investigate both dynamo and momentum transport,more » we have performed both numerical modeling of laboratory experiments that are intended to simulate nature and modeling of configurations with direct relevance to astrophysical disks. Our simulations use fluid approximations (Magnetohydrodynamics - MHD model), where plasma is treated as a single fluid, or two fluids, in the presence of electromagnetic forces. Our major physics objective is to study the possibility of magnetic field generation (so called MRI small-scale and large-scale dynamos) and its role in Magneto-rotational Instability (MRI) saturation through nonlinear simulations in both MHD and Hall regimes.« less

Electric Field Simulation of Surge Capacitors with Typical Defects

NASA Astrophysics Data System (ADS)

Zhang, Chenmeng; Mao, Yuxiang; Xie, Shijun; Zhang, Yu

2018-03-01

The electric field of power capacitors with different typical defects in DC working condition and impulse oscillation working condition is studied in this paper. According to the type and location of defects and considering the influence of space charge, two-dimensional models of surge capacitors with different typical defects are simulated based on ANSYS. The distribution of the electric field inside the capacitor is analyzed, and the concentration of electric field and its influence on the insulation performance are obtained. The results show that the type of defects, the location of defects and the space charge all affect the electric field distribution inside the capacitor in varying degrees. Especially the electric field distortion in the local area such as sharp corners and burrs is relatively larger, which increases the probability of partial discharge inside the surge capacitor.

Validation and learning in the Procedicus KSA virtual reality surgical simulator.

PubMed

Ström, P; Kjellin, A; Hedman, L; Johnson, E; Wredmark, T; Felländer-Tsai, L

2003-02-01

Advanced simulator training within medicine is a rapidly growing field. Virtual reality simulators are being introduced as cost-saving educational tools, which also lead to increased patient safety. Fifteen medical students were included in the study. For 10 medical students performance was monitored, before and after 1 h of training, in two endoscopic simulators (the Procedicus KSA with haptic feedback and anatomical graphics and the established MIST simulator without this haptic feedback and graphics). Five medical students performed 50 tests in the Procedicus KSA in order to analyze learning curves. One of these five medical students performed multiple training sessions during 2 weeks and performed more than 300 tests. There was a significant improvement after 1 h of training regarding time, movement economy, and total score. The results in the two simulators were highly correlated. Our results show that the use of surgical simulators as a pedagogical tool in medical student training is encouraging. It shows rapid learning curves and our suggestion is to introduce endoscopic simulator training in undergraduate medical education during the course in surgery when motivation is high and before the development of "negative stereotypes" and incorrect practices.

Finite element-integral simulation of static and flight fan noise radiation from the JT15D turbofan engine

NASA Technical Reports Server (NTRS)

Baumeister, K. J.; Horowitz, S. J.

1982-01-01

An iterative finite element integral technique is used to predict the sound field radiated from the JT15D turbofan inlet. The sound field is divided into two regions: the sound field within and near the inlet which is computed using the finite element method and the radiation field beyond the inlet which is calculated using an integral solution technique. The velocity potential formulation of the acoustic wave equation was employed in the program. For some single mode JT15D data, the theory and experiment are in good agreement for the far field radiation pattern as well as suppressor attenuation. Also, the computer program is used to simulate flight effects that cannot be performed on a ground static test stand.

Current target acquisition methodology in force on force simulations

NASA Astrophysics Data System (ADS)

Hixson, Jonathan G.; Miller, Brian; Mazz, John P.

2017-05-01

The U.S. Army RDECOM CERDEC NVESD MSD's target acquisition models have been used for many years by the military community in force on force simulations for training, testing, and analysis. There have been significant improvements to these models over the past few years. The significant improvements are the transition of ACQUIRE TTP-TAS (ACQUIRE Targeting Task Performance Target Angular Size) methodology for all imaging sensors and the development of new discrimination criteria for urban environments and humans. This paper is intended to provide an overview of the current target acquisition modeling approach and provide data for the new discrimination tasks. This paper will discuss advances and changes to the models and methodologies used to: (1) design and compare sensors' performance, (2) predict expected target acquisition performance in the field, (3) predict target acquisition performance for combat simulations, and (4) how to conduct model data validation for combat simulations.

Phase-field simulations of GaN growth by selective area epitaxy on complex mask geometries

DOE PAGES

Aagesen, Larry K.; Coltrin, Michael Elliott; Han, Jung; ...

2015-05-15

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. Furthermore, this model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. We found that the model provides a route to optimize masks andmore » processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

Performance Evaluation of PBL Schemes of ARW Model in Simulating Thermo-Dynamical Structure of Pre-Monsoon Convective Episodes over Kharagpur Using STORM Data Sets

NASA Astrophysics Data System (ADS)

Madala, Srikanth; Satyanarayana, A. N. V.; Srinivas, C. V.; Tyagi, Bhishma

2016-05-01

In the present study, advanced research WRF (ARW) model is employed to simulate convective thunderstorm episodes over Kharagpur (22°30'N, 87°20'E) region of Gangetic West Bengal, India. High-resolution simulations are conducted using 1 × 1 degree NCEP final analysis meteorological fields for initial and boundary conditions for events. The performance of two non-local [Yonsei University (YSU), Asymmetric Convective Model version 2 (ACM2)] and two local turbulence kinetic energy closures [Mellor-Yamada-Janjic (MYJ), Bougeault-Lacarrere (BouLac)] are evaluated in simulating planetary boundary layer (PBL) parameters and thermodynamic structure of the atmosphere. The model-simulated parameters are validated with available in situ meteorological observations obtained from micro-meteorological tower as well has high-resolution DigiCORA radiosonde ascents during STORM-2007 field experiment at the study location and Doppler Weather Radar (DWR) imageries. It has been found that the PBL structure simulated with the TKE closures MYJ and BouLac are in better agreement with observations than the non-local closures. The model simulations with these schemes also captured the reflectivity, surface pressure patterns such as wake-low, meso-high, pre-squall low and the convective updrafts and downdrafts reasonably well. Qualitative and quantitative comparisons reveal that the MYJ followed by BouLac schemes better simulated various features of the thunderstorm events over Kharagpur region. The better performance of MYJ followed by BouLac is evident in the lesser mean bias, mean absolute error, root mean square error and good correlation coefficient for various surface meteorological variables as well as thermo-dynamical structure of the atmosphere relative to other PBL schemes. The better performance of the TKE closures may be attributed to their higher mixing efficiency, larger convective energy and better simulation of humidity promoting moist convection relative to non-local schemes.

Hybrid particle-field molecular dynamics simulation for polyelectrolyte systems.

PubMed

Zhu, You-Liang; Lu, Zhong-Yuan; Milano, Giuseppe; Shi, An-Chang; Sun, Zhao-Yan

2016-04-14

To achieve simulations on large spatial and temporal scales with high molecular chemical specificity, a hybrid particle-field method was proposed recently. This method is developed by combining molecular dynamics and self-consistent field theory (MD-SCF). The MD-SCF method has been validated by successfully predicting the experimentally observable properties of several systems. Here we propose an efficient scheme for the inclusion of electrostatic interactions in the MD-SCF framework. In this scheme, charged molecules are interacting with the external fields that are self-consistently determined from the charge densities. This method is validated by comparing the structural properties of polyelectrolytes in solution obtained from the MD-SCF and particle-based simulations. Moreover, taking PMMA-b-PEO and LiCF3SO3 as examples, the enhancement of immiscibility between the ion-dissolving block and the inert block by doping lithium salts into the copolymer is examined by using the MD-SCF method. By employing GPU-acceleration, the high performance of the MD-SCF method with explicit treatment of electrostatics facilitates the simulation study of many problems involving polyelectrolytes.

A reconstruction method of intra-ventricular blood flow using color flow ultrasound: a simulation study

NASA Astrophysics Data System (ADS)

Jang, Jaeseong; Ahn, Chi Young; Jeon, Kiwan; Choi, Jung-il; Lee, Changhoon; Seo, Jin Keun

2015-03-01

A reconstruction method is proposed here to quantify the distribution of blood flow velocity fields inside the left ventricle from color Doppler echocardiography measurement. From 3D incompressible Navier- Stokes equation, a 2D incompressible Navier-Stokes equation with a mass source term is derived to utilize the measurable color flow ultrasound data in a plane along with the moving boundary condition. The proposed model reflects out-of-plane blood flows on the imaging plane through the mass source term. For demonstrating a feasibility of the proposed method, we have performed numerical simulations of the forward problem and numerical analysis of the reconstruction method. First, we construct a 3D moving LV region having a specific stroke volume. To obtain synthetic intra-ventricular flows, we performed a numerical simulation of the forward problem of Navier-Stokes equation inside the 3D moving LV, computed 3D intra-ventricular velocity fields as a solution of the forward problem, projected the 3D velocity fields on the imaging plane and took the inner product of the 2D velocity fields on the imaging plane and scanline directional velocity fields for synthetic scanline directional projected velocity at each position. The proposed method utilized the 2D synthetic projected velocity data for reconstructing LV blood flow. By computing the difference between synthetic flow and reconstructed flow fields, we obtained the averaged point-wise errors of 0.06 m/s and 0.02 m/s for u- and v-components, respectively.

Role of internal demagnetizing field for the dynamics of a surface-modulated magnonic crystal

NASA Astrophysics Data System (ADS)

Langer, M.; Röder, F.; Gallardo, R. A.; Schneider, T.; Stienen, S.; Gatel, C.; Hübner, R.; Bischoff, L.; Lenz, K.; Lindner, J.; Landeros, P.; Fassbender, J.

2017-05-01

This work aims to demonstrate and understand the key role of local demagnetizing fields in hybrid structures consisting of a continuous thin film with a stripe modulation on top. To understand the complex spin dynamics of these structures, the magnonic crystal was reconstructed in two different ways—performing micromagnetic simulations based on the structural shape as well as based on the internal demagnetizing field, which both are mapped on the nanoscale using electron holography. The simulations yield the frequency-field dependence as well as the angular dependence revealing the governing role of the internal field landscape around the backward-volume geometry. Simple rules for the propagation vector and the mode localization are formulated in order to explain the calculated mode profiles. Treating internal demagnetizing fields equivalent to anisotropies, the complex angle-dependent spin-wave behavior is described for an in-plane rotation of the external field.

Field significance of performance measures in the context of regional climate model evaluation. Part 2: precipitation

NASA Astrophysics Data System (ADS)

Ivanov, Martin; Warrach-Sagi, Kirsten; Wulfmeyer, Volker

2018-04-01

A new approach for rigorous spatial analysis of the downscaling performance of regional climate model (RCM) simulations is introduced. It is based on a multiple comparison of the local tests at the grid cells and is also known as `field' or `global' significance. The block length for the local resampling tests is precisely determined to adequately account for the time series structure. New performance measures for estimating the added value of downscaled data relative to the large-scale forcing fields are developed. The methodology is exemplarily applied to a standard EURO-CORDEX hindcast simulation with the Weather Research and Forecasting (WRF) model coupled with the land surface model NOAH at 0.11 ∘ grid resolution. Daily precipitation climatology for the 1990-2009 period is analysed for Germany for winter and summer in comparison with high-resolution gridded observations from the German Weather Service. The field significance test controls the proportion of falsely rejected local tests in a meaningful way and is robust to spatial dependence. Hence, the spatial patterns of the statistically significant local tests are also meaningful. We interpret them from a process-oriented perspective. While the downscaled precipitation distributions are statistically indistinguishable from the observed ones in most regions in summer, the biases of some distribution characteristics are significant over large areas in winter. WRF-NOAH generates appropriate stationary fine-scale climate features in the daily precipitation field over regions of complex topography in both seasons and appropriate transient fine-scale features almost everywhere in summer. As the added value of global climate model (GCM)-driven simulations cannot be smaller than this perfect-boundary estimate, this work demonstrates in a rigorous manner the clear additional value of dynamical downscaling over global climate simulations. The evaluation methodology has a broad spectrum of applicability as it is distribution-free, robust to spatial dependence, and accounts for time series structure.

Validation of SWAT+ at field level and comparison with previous SWAT models in simulating hydrologic quantity

NASA Astrophysics Data System (ADS)

GAO, J.; White, M. J.; Bieger, K.; Yen, H.; Arnold, J. G.

2017-12-01

Over the past 20 years, the Soil and Water Assessment Tool (SWAT) has been adopted by many researches to assess water quantity and quality in watersheds around the world. As the demand increases in facilitating model support, maintenance, and future development, the SWAT source code and data have undergone major modifications over the past few years. To make the model more flexible in terms of interactions of spatial units and processes occurring in watersheds, a completely revised version of SWAT (SWAT+) was developed to improve SWAT's ability in water resource modelling and management. There are only several applications of SWAT+ in large watersheds, however, no study pays attention to validate the new model at field level and assess its performance. To test the basic hydrologic function of SWAT+, it was implemented in five field cases across five states in the U.S. and compared the SWAT+ created results with that from the previous models at the same fields. Additionally, an automatic calibration tool was used to test which model is easier to be calibrated well in a limited number of parameter adjustments. The goal of the study was to evaluate the performance of SWAT+ in simulating stream flow on field level at different geographical locations. The results demonstrate that SWAT+ demonstrated similar performance with previous SWAT model, but the flexibility offered by SWAT+ via the connection of different spatial objects can result in a more accurate simulation of hydrological processes in spatial, especially for watershed with artificial facilities. Autocalibration shows that SWAT+ is much easier to obtain a satisfied result compared with the previous SWAT. Although many capabilities have already been enhanced in SWAT+, there exist inaccuracies in simulation. This insufficiency will be improved with advancements in scientific knowledge on hydrologic process in specific watersheds. Currently, SWAT+ is prerelease, and any errors are being addressed.

Absolute and convective instabilities of a film flow down a vertical fiber subjected to a radial electric field

NASA Astrophysics Data System (ADS)

Liu, Rong; Chen, Xue; Ding, Zijing

2018-01-01

We consider the motion of a gravity-driven flow down a vertical fiber subjected to a radial electric field. This flow exhibits rich dynamics including the formation of droplets, or beads, driven by a Rayleigh-Plateau mechanism modified by the presence of gravity as well as the Maxwell stress at the interface. A spatiotemporal stability analysis is performed to investigate the effect of electric field on the absolute-convective instability (AI-CI) characteristics. We performed a numerical simulation on the nonlinear evolution of the film to examine the transition from CI to AI regime. The numerical results are in excellent agreement with the spatiotemporal stability analysis. The blowup behavior of nonlinear simulation predicts the formation of touchdown singularity of the interface due to the effect of electric field. We try to connect the blowup behavior with the AI-CI characteristics. It is found that the singularities mainly occur in the AI regime. The results indicate that the film may have a tendency to form very sharp tips due to the enhancement of the absolute instability induced by the electric field. We perform a theoretical analysis to study the behaviors of the singularities. The results show that there exists a self-similarity between the temporal and spatial distances from the singularities.

Virtual Reality Simulation as a Tool to Monitor Surgical Performance Indicators: VIRESI Observational Study.

PubMed

Muralha, Nuno; Oliveira, Manuel; Ferreira, Maria Amélia; Costa-Maia, José

2017-05-31

Virtual reality simulation is a topic of discussion as a complementary tool to traditional laparoscopic surgical training in the operating room. However, it is unclear whether virtual reality training can have an impact on the surgical performance of advanced laparoscopic procedures. Our objective was to assess the ability of the virtual reality simulator LAP Mentor to identify and quantify changes in surgical performance indicators, after LAP Mentor training for digestive anastomosis. Twelve surgeons from Centro Hospitalar de São João in Porto (Portugal) performed two sessions of advanced task 5: anastomosis in LAP Mentor, before and after completing the tutorial, and were evaluated on 34 surgical performance indicators. The results show that six surgical performance indicators significantly changed after LAP Mentor training. The surgeons performed the task significantly faster as the median 'total time' significantly reduced (p < 0.05) from 759.5 to 523.5 seconds. Significant decreases (p < 0.05) were also found in median 'total needle loading time' (303.3 to 107.8 seconds), 'average needle loading time' (38.5 to 31.0 seconds), 'number of passages in which the needle passed precisely through the entrance dots' (2.5 to 1.0), 'time the needle was held outside the visible field' (20.9 to 2.4 seconds), and 'total time the needle-holders' ends are kept outside the predefined operative field' (88.2 to 49.6 seconds). This study raises the possibility of using virtual reality training simulation as a benchmark tool to assess the surgical performance of Portuguese surgeons. LAP Mentor is able to identify variations in surgical performance indicators of digestive anastomosis.

Assessment of headlamp glare and potential countermeasures : the effects of headlamp mounting height

DOT National Transportation Integrated Search

2008-01-01

This project examined the effects of headlamp mounting height on the disability and the sensation of discomfort caused by glare. This was performed through a field study and a simulation study. In the field study, subjects evaluated the degree of gla...

Estimating thermal performance curves from repeated field observations

USGS Publications Warehouse

Childress, Evan; Letcher, Benjamin H.

2017-01-01

Estimating thermal performance of organisms is critical for understanding population distributions and dynamics and predicting responses to climate change. Typically, performance curves are estimated using laboratory studies to isolate temperature effects, but other abiotic and biotic factors influence temperature-performance relationships in nature reducing these models' predictive ability. We present a model for estimating thermal performance curves from repeated field observations that includes environmental and individual variation. We fit the model in a Bayesian framework using MCMC sampling, which allowed for estimation of unobserved latent growth while propagating uncertainty. Fitting the model to simulated data varying in sampling design and parameter values demonstrated that the parameter estimates were accurate, precise, and unbiased. Fitting the model to individual growth data from wild trout revealed high out-of-sample predictive ability relative to laboratory-derived models, which produced more biased predictions for field performance. The field-based estimates of thermal maxima were lower than those based on laboratory studies. Under warming temperature scenarios, field-derived performance models predicted stronger declines in body size than laboratory-derived models, suggesting that laboratory-based models may underestimate climate change effects. The presented model estimates true, realized field performance, avoiding assumptions required for applying laboratory-based models to field performance, which should improve estimates of performance under climate change and advance thermal ecology.

Computer simulation and implementation of defected ground structure on a microstrip antenna

NASA Astrophysics Data System (ADS)

Adrian, H.; Rambe, A. H.; Suherman

2018-03-01

Defected Ground Structure (DGS) is a method reducing etching area on antenna ground to form desirable antenna’s ground field. This paper reports the method impact on microstrip antennas working on 1800 and 2400 MHz. These frequencies are important as many radio network applications such mobile phones and wireless devices working on these channels. The assessments were performed by simulating and fabricating the evaluated antennas. Both simulation data and implementation measurements show that DGS successfully improves antenna performances by increasing bandwidth up to 19%, reducing return loss up to 109% and increasing gain up to 33%.

GOCE gravity field simulation based on actual mission scenario

NASA Astrophysics Data System (ADS)

Pail, R.; Goiginger, H.; Mayrhofer, R.; Höck, E.; Schuh, W.-D.; Brockmann, J. M.; Krasbutter, I.; Fecher, T.; Gruber, T.

2009-04-01

In the framework of the ESA-funded project "GOCE High-level Processing Facility", an operational hardware and software system for the scientific processing (Level 1B to Level 2) of GOCE data has been set up by the European GOCE Gravity Consortium EGG-C. One key component of this software system is the processing of a spherical harmonic Earth's gravity field model and the corresponding full variance-covariance matrix from the precise GOCE orbit and calibrated and corrected satellite gravity gradiometry (SGG) data. In the framework of the time-wise approach a combination of several processing strategies for the optimum exploitation of the information content of the GOCE data has been set up: The Quick-Look Gravity Field Analysis is applied to derive a fast diagnosis of the GOCE system performance and to monitor the quality of the input data. In the Core Solver processing a rigorous high-precision solution of the very large normal equation systems is derived by applying parallel processing techniques on a PC cluster. Before the availability of real GOCE data, by means of a realistic numerical case study, which is based on the actual GOCE orbit and mission scenario and simulation data stemming from the most recent ESA end-to-end simulation, the expected GOCE gravity field performance is evaluated. Results from this simulation as well as recently developed features of the software system are presented. Additionally some aspects on data combination with complementary data sources are addressed.

Monte Carlo modeling and simulations of the High Definition (HD120) micro MLC and validation against measurements for a 6 MV beam

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

Borges, C.; Zarza-Moreno, M.; Heath, E.

2012-01-15

Purpose: The most recent Varian micro multileaf collimator (MLC), the High Definition (HD120) MLC, was modeled using the BEAMNRC Monte Carlo code. This model was incorporated into a Varian medical linear accelerator, for a 6 MV beam, in static and dynamic mode. The model was validated by comparing simulated profiles with measurements. Methods: The Varian Trilogy (2300C/D) accelerator model was accurately implemented using the state-of-the-art Monte Carlo simulation program BEAMNRC and validated against off-axis and depth dose profiles measured using ionization chambers, by adjusting the energy and the full width at half maximum (FWHM) of the initial electron beam. Themore » HD120 MLC was modeled by developing a new BEAMNRC component module (CM), designated HDMLC, adapting the available DYNVMLC CM and incorporating the specific characteristics of this new micro MLC. The leaf dimensions were provided by the manufacturer. The geometry was visualized by tracing particles through the CM and recording their position when a leaf boundary is crossed. The leaf material density and abutting air gap between leaves were adjusted in order to obtain a good agreement between the simulated leakage profiles and EBT2 film measurements performed in a solid water phantom. To validate the HDMLC implementation, additional MLC static patterns were also simulated and compared to additional measurements. Furthermore, the ability to simulate dynamic MLC fields was implemented in the HDMLC CM. The simulation results of these fields were compared with EBT2 film measurements performed in a solid water phantom. Results: Overall, the discrepancies, with and without MLC, between the opened field simulations and the measurements using ionization chambers in a water phantom, for the off-axis profiles are below 2% and in depth-dose profiles are below 2% after the maximum dose depth and below 4% in the build-up region. On the conditions of these simulations, this tungsten-based MLC has a density of 18.7 g cm{sup -3} and an overall leakage of about 1.1 {+-} 0.03%. The discrepancies between the film measured and simulated closed and blocked fields are below 2% and 8%, respectively. Other measurements were performed for alternated leaf patterns and the agreement is satisfactory (to within 4%). The dynamic mode for this MLC was implemented and the discrepancies between film measurements and simulations are within 4%. Conclusions: The Varian Trilogy (2300 C/D) linear accelerator including the HD120 MLC was successfully modeled and simulated using the Monte Carlo BEAMNRC code by developing an independent CM, the HDMLC CM, either in static and dynamic modes.« less

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

Bemporad, G.A.; Rubin, H.

This manuscript concerns the onset of thermohaline convection in a solar pond subject to field conditions as well as a small scale laboratory test section simulating the solar pond performance. The onset of thermohaline convection is analyzed in this study by means of a linear stability analysis in which the flow field perturbations are expended in sets of complete orthonormal functions satisfying the boundary conditions of the flow field. The linear stability analysis is first performed with regard to an advanced solar pond (ASP) subject to field conditions in which thermohaline convection develops in planes perpendicular to the unperturbed flowmore » velocity vector. In the laboratory simulator of the ASP the width and depth are of the same order of magnitude. In this case it is found that the side walls delay the onset of convection in planes perpendicular to the unperturbed flow velocity vector. The presence of the side walls may cause the planes parallel to the flow velocity to be the most susceptible to the development on all three spatial variables, are predicted. They may develop in planes parallel or perpendicular to the unperturbed velocity vector according to the value of the Reynolds number of the unperturbed flow and the ratio between the width and depth of the ASP simulator.« less

Using parallel computing for the display and simulation of the space debris environment

NASA Astrophysics Data System (ADS)

Möckel, M.; Wiedemann, C.; Flegel, S.; Gelhaus, J.; Vörsmann, P.; Klinkrad, H.; Krag, H.

2011-07-01

Parallelism is becoming the leading paradigm in today's computer architectures. In order to take full advantage of this development, new algorithms have to be specifically designed for parallel execution while many old ones have to be upgraded accordingly. One field in which parallel computing has been firmly established for many years is computer graphics. Calculating and displaying three-dimensional computer generated imagery in real time requires complex numerical operations to be performed at high speed on a large number of objects. Since most of these objects can be processed independently, parallel computing is applicable in this field. Modern graphics processing units (GPUs) have become capable of performing millions of matrix and vector operations per second on multiple objects simultaneously. As a side project, a software tool is currently being developed at the Institute of Aerospace Systems that provides an animated, three-dimensional visualization of both actual and simulated space debris objects. Due to the nature of these objects it is possible to process them individually and independently from each other. Therefore, an analytical orbit propagation algorithm has been implemented to run on a GPU. By taking advantage of all its processing power a huge performance increase, compared to its CPU-based counterpart, could be achieved. For several years efforts have been made to harness this computing power for applications other than computer graphics. Software tools for the simulation of space debris are among those that could profit from embracing parallelism. With recently emerged software development tools such as OpenCL it is possible to transfer the new algorithms used in the visualization outside the field of computer graphics and implement them, for example, into the space debris simulation environment. This way they can make use of parallel hardware such as GPUs and Multi-Core-CPUs for faster computation. In this paper the visualization software will be introduced, including a comparison between the serial and the parallel method of orbit propagation. Ways of how to use the benefits of the latter method for space debris simulation will be discussed. An introduction to OpenCL will be given as well as an exemplary algorithm from the field of space debris simulation.

Using parallel computing for the display and simulation of the space debris environment

NASA Astrophysics Data System (ADS)

Moeckel, Marek; Wiedemann, Carsten; Flegel, Sven Kevin; Gelhaus, Johannes; Klinkrad, Heiner; Krag, Holger; Voersmann, Peter

Parallelism is becoming the leading paradigm in today's computer architectures. In order to take full advantage of this development, new algorithms have to be specifically designed for parallel execution while many old ones have to be upgraded accordingly. One field in which parallel computing has been firmly established for many years is computer graphics. Calculating and displaying three-dimensional computer generated imagery in real time requires complex numerical operations to be performed at high speed on a large number of objects. Since most of these objects can be processed independently, parallel computing is applicable in this field. Modern graphics processing units (GPUs) have become capable of performing millions of matrix and vector operations per second on multiple objects simultaneously. As a side project, a software tool is currently being developed at the Institute of Aerospace Systems that provides an animated, three-dimensional visualization of both actual and simulated space debris objects. Due to the nature of these objects it is possible to process them individually and independently from each other. Therefore, an analytical orbit propagation algorithm has been implemented to run on a GPU. By taking advantage of all its processing power a huge performance increase, compared to its CPU-based counterpart, could be achieved. For several years efforts have been made to harness this computing power for applications other than computer graphics. Software tools for the simulation of space debris are among those that could profit from embracing parallelism. With recently emerged software development tools such as OpenCL it is possible to transfer the new algorithms used in the visualization outside the field of computer graphics and implement them, for example, into the space debris simulation environment. This way they can make use of parallel hardware such as GPUs and Multi-Core-CPUs for faster computation. In this paper the visualization software will be introduced, including a comparison between the serial and the parallel method of orbit propagation. Ways of how to use the benefits of the latter method for space debris simulation will be discussed. An introduction of OpenCL will be given as well as an exemplary algorithm from the field of space debris simulation.

The effect of electronically steering a phased array ultrasound transducer on near-field tissue heating.

PubMed

Payne, Allison; Vyas, Urvi; Todd, Nick; de Bever, Joshua; Christensen, Douglas A; Parker, Dennis L

2011-09-01

This study presents the results obtained from both simulation and experimental techniques that show the effect of mechanically or electronically steering a phased array transducer on proximal tissue heating. The thermal response of a nine-position raster and a 16-mm diameter circle scanning trajectory executed through both electronic and mechanical scanning was evaluated in computer simulations and experimentally in a homogeneous tissue-mimicking phantom. Simulations were performed using power deposition maps obtained from the hybrid angular spectrum (HAS) method and applying a finite-difference approximation of the Pennes' bioheat transfer equation for the experimentally used transducer and also for a fully sampled transducer to demonstrate the effect of acoustic window, ultrasound beam overlap and grating lobe clutter on near-field heating. Both simulation and experimental results show that electronically steering the ultrasound beam for the two trajectories using the 256-element phased array significantly increases the thermal dose deposited in the near-field tissues when compared with the same treatment executed through mechanical steering only. In addition, the individual contributions of both beam overlap and grating lobe clutter to the near-field thermal effects were determined through comparing the simulated ultrasound beam patterns and resulting temperature fields from mechanically and electronically steered trajectories using the 256-randomized element phased array transducer to an electronically steered trajectory using a fully sampled transducer with 40 401 phase-adjusted sample points. Three distinctly different three distinctly different transducers were simulated to analyze the tradeoffs of selected transducer design parameters on near-field heating. Careful consideration of design tradeoffs and accurate patient treatment planning combined with thorough monitoring of the near-field tissue temperature will help to ensure patient safety during an MRgHIFU treatment.

Electron Acceleration in the Magnetotail during Substorms in Semi-Global PIC Simulations

NASA Astrophysics Data System (ADS)

Richard, R. L.; Schriver, D.; Ashour-Abdalla, M.; El-Alaoui, M.; Lapenta, G.; Walker, R. J.

2015-12-01

To understand the acceleration of electrons during a substorm reconnection event we have applied a semi-global particle in cell (PIC) simulation box embedded within a global magnetohydrodynamic (MHD) simulation of Earth's magnetosphere for an event on February 15, 2008. The MHD results were used to populate the PIC simulation and to set the boundary conditions. In the magnetotail we found that a series of dipolarizations formed due to unsteady reconnection. We also found that the most energetic electrons were in the separatrices far from the x-point. We attributed the acceleration to a streaming instability in the separatrices. To further understand electron acceleration we have applied the large scale kinetic (LSK) technique in which tens- to hundreds- of thousands of electrons are followed within the electric and magnetic fields from the PIC simulations., Electrons are already included in the PIC simulation, but the LSK simulations will allow selected individual particles to be followed and analyzed. Initially we performed electron LSK calculations in a two dimensional version of the PIC simulation in which electrons were allowed to move in the ignorable cross tail direction. These LSK calculations showed that electrons gained energy primarily for two reasons: (1) acceleration by the average dawn to dusk electric field and (2) acceleration by intense but localized electric field structures. The overall electron transport was more dawnward than duskward due to the average electric field. At the same time electrons typically moved away from the reconnection region in both the earthward and tailward directions. Superimposed on this large-scale transport was motion in both the dusk and dawn directions across the tail because of the electric field structures, which were particularly intense in the separatrices. LSK calculations are now being carried out by using the full three-dimensional magnetic and electric fields from the PIC simulation and these results will be compared with the two-dimensional results for the same substorm event.

Effects of Field of View and Visual Complexity on Virtual Reality Training Effectiveness for a Visual Scanning Task

DOE PAGES

Ragan, Eric D.; Bowman, Doug A.; Kopper, Regis; ...

2015-02-13

Virtual reality training systems are commonly used in a variety of domains, and it is important to understand how the realism of a training simulation influences training effectiveness. The paper presents a framework for evaluating the effects of virtual reality fidelity based on an analysis of a simulation’s display, interaction, and scenario components. Following this framework, we conducted a controlled experiment to test the effects of fidelity on training effectiveness for a visual scanning task. The experiment varied the levels of field of view and visual realism during a training phase and then evaluated scanning performance with the simulator’s highestmore » level of fidelity. To assess scanning performance, we measured target detection and adherence to a prescribed strategy. The results show that both field of view and visual realism significantly affected target detection during training; higher field of view led to better performance and higher visual realism worsened performance. Additionally, the level of visual realism during training significantly affected learning of the prescribed visual scanning strategy, providing evidence that high visual realism was important for learning the technique. The results also demonstrate that task performance during training was not always a sufficient measure of mastery of an instructed technique. That is, if learning a prescribed strategy or skill is the goal of a training exercise, performance in a simulation may not be an appropriate indicator of effectiveness outside of training—evaluation in a more realistic setting may be necessary.« less

Velocity field calculation for non-orthogonal numerical grids

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

Flach, G. P.

2015-03-01

Computational grids containing cell faces that do not align with an orthogonal (e.g. Cartesian, cylindrical) coordinate system are routinely encountered in porous-medium numerical simulations. Such grids are referred to in this study as non-orthogonal grids because some cell faces are not orthogonal to a coordinate system plane (e.g. xy, yz or xz plane in Cartesian coordinates). Non-orthogonal grids are routinely encountered at the Savannah River Site in porous-medium flow simulations for Performance Assessments and groundwater flow modeling. Examples include grid lines that conform to the sloping roof of a waste tank or disposal unit in a 2D Performance Assessment simulation,more » and grid surfaces that conform to undulating stratigraphic surfaces in a 3D groundwater flow model. Particle tracking is routinely performed after a porous-medium numerical flow simulation to better understand the dynamics of the flow field and/or as an approximate indication of the trajectory and timing of advective solute transport. Particle tracks are computed by integrating the velocity field from cell to cell starting from designated seed (starting) positions. An accurate velocity field is required to attain accurate particle tracks. However, many numerical simulation codes report only the volumetric flowrate (e.g. PORFLOW) and/or flux (flowrate divided by area) crossing cell faces. For an orthogonal grid, the normal flux at a cell face is a component of the Darcy velocity vector in the coordinate system, and the pore velocity for particle tracking is attained by dividing by water content. For a non-orthogonal grid, the flux normal to a cell face that lies outside a coordinate plane is not a true component of velocity with respect to the coordinate system. Nonetheless, normal fluxes are often taken as Darcy velocity components, either naively or with accepted approximation. To enable accurate particle tracking or otherwise present an accurate depiction of the velocity field for a non-orthogonal grid, Darcy velocity components are rigorously derived in this study from normal fluxes to cell faces, which are assumed to be provided by or readily computed from porous-medium simulation code output. The normal fluxes are presumed to satisfy mass balances for every computational cell, and if so, the derived velocity fields are consistent with these mass balances. Derivations are provided for general two-dimensional quadrilateral and three-dimensional hexagonal systems, and for the commonly encountered special cases of perfectly vertical side faces in 2D and 3D and a rectangular footprint in 3D.« less

Validation of Heavy Ion Transport Capabilities in PHITS

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

Ronningen, Reginald M.

The performance of the Monte Carlo code system PHITS is validated for heavy ion transport capabilities by performing simulations and comparing results against experimental data from heavy ion reactions of benchmark quality. These data are from measurements of secondary neutron production cross sections in reactions of Xe at 400 MeV/u with lithium and lead targets, measurements of neutrons outside of thick concrete and iron shields, and measurements of isotope yields produced in the fragmentation of a 140 MeV/u 48Ca beam on a beryllium target and on a tantalum target. A practical example that tests magnetic field capabilities is shown formore » a simulated 48Ca beam at 500 MeV/u striking a lithium target to produce the rare isotope 44Si, with ion transport through a fragmentation-reaction magnetic pre-separator. The results of this study show that PHITS performs reliably for the simulation of radiation fields that is necessary for designing safe, reliable and cost effective future high-powered heavy-ion accelerators in rare isotope beam facilities.« less

Simulating Radionuclide Migrations of Low-level Wastes in Nearshore Environment

NASA Astrophysics Data System (ADS)

Lu, C. C.; Li, M. H.; Chen, J. S.; Yeh, G. T.

2016-12-01

Tunnel disposal into nearshore mountains was tentatively selected as one of final disposal sites for low-level wastes in Taiwan. Safety assessment on radionuclide migrations in far-filed may involve geosphere processes under coastal environments and into nearshore ocean. In this study the 3-D HYDROFEOCHE5.6 numerical model was used to perform simulations of groundwater flow and radionuclide transport with decay chains. Domain of interest on the surface includes nearby watersheds delineated by digital elevation models and nearshore seabed. As deep as 800 m below the surface and 400 m below sea bed were considered for simulations. The disposal site was located at 200m below the surface. Release rates of radionuclides from near-field was estimated by analytical solutions of radionuclide diffusion with decay out of engineered barriers. Far-field safety assessments were performed starting from the release of radionuclides out of engineered barriers to a time scale of 10,000 years. Sensitivity analyses of geosphere and transport parameters were performed to improve our understanding of safety on final disposal of low-level waste in nearshore environments.

Parsec-Scale Obscuring Accretion Disk with Large-Scale Magnetic Field in AGNs

NASA Technical Reports Server (NTRS)

Dorodnitsyn, A.; Kallman, T.

2017-01-01

A magnetic field dragged from the galactic disk, along with inflowing gas, can provide vertical support to the geometrically and optically thick pc (parsec) -scale torus in AGNs (Active Galactic Nuclei). Using the Soloviev solution initially developed for Tokamaks, we derive an analytical model for a rotating torus that is supported and confined by a magnetic field. We further perform three-dimensional magneto-hydrodynamic simulations of X-ray irradiated, pc-scale, magnetized tori. We follow the time evolution and compare models that adopt initial conditions derived from our analytic model with simulations in which the initial magnetic flux is entirely contained within the gas torus. Numerical simulations demonstrate that the initial conditions based on the analytic solution produce a longer-lived torus that produces obscuration that is generally consistent with observed constraints.

Parsec-scale Obscuring Accretion Disk with Large-scale Magnetic Field in AGNs

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

Dorodnitsyn, A.; Kallman, T.

A magnetic field dragged from the galactic disk, along with inflowing gas, can provide vertical support to the geometrically and optically thick pc-scale torus in AGNs. Using the Soloviev solution initially developed for Tokamaks, we derive an analytical model for a rotating torus that is supported and confined by a magnetic field. We further perform three-dimensional magneto-hydrodynamic simulations of X-ray irradiated, pc-scale, magnetized tori. We follow the time evolution and compare models that adopt initial conditions derived from our analytic model with simulations in which the initial magnetic flux is entirely contained within the gas torus. Numerical simulations demonstrate thatmore » the initial conditions based on the analytic solution produce a longer-lived torus that produces obscuration that is generally consistent with observed constraints.« less

HEP Software Foundation Community White Paper Working Group - Detector Simulation

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

Apostolakis, J.

A working group on detector simulation was formed as part of the high-energy physics (HEP) Software Foundation's initiative to prepare a Community White Paper that describes the main software challenges and opportunities to be faced in the HEP field over the next decade. The working group met over a period of several months in order to review the current status of the Full and Fast simulation applications of HEP experiments and the improvements that will need to be made in order to meet the goals of future HEP experimental programmes. The scope of the topics covered includes the main componentsmore » of a HEP simulation application, such as MC truth handling, geometry modeling, particle propagation in materials and fields, physics modeling of the interactions of particles with matter, the treatment of pileup and other backgrounds, as well as signal processing and digitisation. The resulting work programme described in this document focuses on the need to improve both the software performance and the physics of detector simulation. The goals are to increase the accuracy of the physics models and expand their applicability to future physics programmes, while achieving large factors in computing performance gains consistent with projections on available computing resources.« less

Simulation of short period Lg, expansion of three-dimensional source simulation capabilities and simulation of near-field ground motion from the 1971 San Fernando, California, earthquake. Final report 1 Oct 79-30 Nov 80

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

Bache, T.C.; Swanger, H.J.; Shkoller, B.

1981-07-01

This report summarizes three efforts performed during the past fiscal year. The first these efforts is a study of the theoretical behavior of the regional seismic phase Lg in various tectonic provinces. Synthetic seismograms are used to determine the sensitivity of Lg to source and medium properties. The primary issues addressed concern the relationship of regional Lg characteristics to the crustal attenuation properties, the comparison of the Lg in many crustal structures and the source depth dependence of Lg. The second effort described is an expansion of hte capabilities of the three-dimensional finite difference code TRES. The present capabilities aremore » outlined with comparisons of the performance of the code on three computer systems. The last effort described is the development of an algorithm for simulation of the near-field ground motions from the 1971 San Fernando, California, earthquake. A computer code implementing this algorithm has been provided to the Mission Research Corporation foe simulation of the acoustic disturbances from such an earthquake.« less

Simulation of Initiation in Hexanitrostilbene

NASA Astrophysics Data System (ADS)

Thompson, Aidan; Shan, Tzu-Ray; Yarrington, Cole; Wixom, Ryan

We report on the effect of isolated voids and pairs of nearby voids on hot spot formation, growth and chemical reaction initiation in hexanitrostilbene (HNS) crystals subjected to shock loading. Large-scale, reactive molecular dynamics simulations are performed using the reactive force field (ReaxFF) as implemented in the LAMMPS software. The ReaxFF force field description for HNS has been validated previously by comparing the isothermal equation of state to available diamond anvil cell (DAC) measurements and density function theory (DFT) calculations. Micron-scale molecular dynamics simulations of a supported shockwave propagating in HNS crystal along the [010] orientation are performed (up = 1.25 km/s, Us =4.0 km/s, P = 11GPa.) We compare the effect on hot spot formation and growth rate of isolated cylindrical voids up to 0.1 µm in size with that of two 50nm voids set 100nm apart. Results from the micron-scale atomistic simulations are compared with hydrodynamics simulations. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lock- heed Martin Corporation, for the U.S. DOE National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Modeling target normal sheath acceleration using handoffs between multiple simulations

NASA Astrophysics Data System (ADS)

McMahon, Matthew; Willis, Christopher; Mitchell, Robert; King, Frank; Schumacher, Douglass; Akli, Kramer; Freeman, Richard

2013-10-01

We present a technique to model the target normal sheath acceleration (TNSA) process using full-scale LSP PIC simulations. The technique allows for a realistic laser, full size target and pre-plasma, and sufficient propagation length for the accelerated ions and electrons. A first simulation using a 2D Cartesian grid models the laser-plasma interaction (LPI) self-consistently and includes field ionization. Electrons accelerated by the laser are imported into a second simulation using a 2D cylindrical grid optimized for the initial TNSA process and incorporating an equation of state. Finally, all of the particles are imported to a third simulation optimized for the propagation of the accelerated ions and utilizing a static field solver for initialization. We also show use of 3D LPI simulations. Simulation results are compared to recent ion acceleration experiments using SCARLET laser at The Ohio State University. This work was performed with support from ASOFR under contract # FA9550-12-1-0341, DARPA, and allocations of computing time from the Ohio Supercomputing Center.

Strangeness S =-1 hyperon-nucleon interactions: Chiral effective field theory versus lattice QCD

NASA Astrophysics Data System (ADS)

Song, Jing; Li, Kai-Wen; Geng, Li-Sheng

2018-06-01

Hyperon-nucleon interactions serve as basic inputs to studies of hypernuclear physics and dense (neutron) stars. Unfortunately, a precise understanding of these important quantities has lagged far behind that of the nucleon-nucleon interaction due to lack of high-precision experimental data. Historically, hyperon-nucleon interactions are either formulated in quark models or meson exchange models. In recent years, lattice QCD simulations and chiral effective field theory approaches start to offer new insights from first principles. In the present work, we contrast the state-of-the-art lattice QCD simulations with the latest chiral hyperon-nucleon forces and show that the leading order relativistic chiral results can already describe the lattice QCD data reasonably well. Given the fact that the lattice QCD simulations are performed with pion masses ranging from the (almost) physical point to 700 MeV, such studies provide a useful check on both the chiral effective field theory approaches as well as lattice QCD simulations. Nevertheless more precise lattice QCD simulations are eagerly needed to refine our understanding of hyperon-nucleon interactions.

A full three dimensional Navier-Stokes numerical simulation of flow field inside a power plant Kaplan turbine using some model test turbine hill chart points

NASA Astrophysics Data System (ADS)

Hosseinalipour, S. M.; Raja, A.; Hajikhani, S.

2012-06-01

A full three dimensional Navier - Stokes numerical simulation has been performed for performance analysis of a Kaplan turbine which is installed in one of the Irans south dams. No simplifications have been enforced in the simulation. The numerical results have been evaluated using some integral parameters such as the turbine efficiency via comparing the results with existing experimental data from the prototype Hill chart. In part of this study the numerical simulations were performed in order to calculate the prototype turbine efficiencies in some specific points which comes from the scaling up of the model efficiency that are available in the model experimental Hill chart. The results are very promising which shows the good ability of the numerical techniques for resolving the flow characteristics in these kind of complex geometries. A parametric study regarding the evaluation of turbine performance in three different runner angles of the prototype is also performed and the results are cited in this paper.

Driving Competence in Mild Dementia with Lewy Bodies: In Search of Cognitive Predictors Using Driving Simulation

PubMed Central

Yamin, Stephanie; Stinchcombe, Arne; Gagnon, Sylvain

2015-01-01

Driving is a multifactorial behaviour drawing on multiple cognitive, sensory, and physical systems. Dementia is a progressive and degenerative neurological condition that impacts the cognitive processes necessary for safe driving. While a number of studies have examined driving among individuals with Alzheimer's disease, less is known about the impact of Dementia with Lewy Bodies (DLB) on driving safety. The present study compared simulated driving performance of 15 older drivers with mild DLB with that of 21 neurologically healthy control drivers. DLB drivers showed poorer performance on all indicators of simulated driving including an increased number of collisions in the simulator and poorer composite indicators of overall driving performance. A measure of global cognitive function (i.e., the Mini Mental State Exam) was found to be related to the overall driving performance. In addition, measures of attention (i.e., Useful Field of View, UFOV) and space processing (Visual Object and Space Perception, VOSP, Test) correlated significantly with a rater's assessment of driving performance. PMID:26713169

GPU-Based Simulation of Ultrasound Imaging Artifacts for Cryosurgery Training.

PubMed

Keelan, Robert; Shimada, Kenji; Rabin, Yoed

2017-02-01

This study presents an efficient computational technique for the simulation of ultrasound imaging artifacts associated with cryosurgery based on nonlinear ray tracing. This study is part of an ongoing effort to develop computerized training tools for cryosurgery, with prostate cryosurgery as a development model. The capability of performing virtual cryosurgical procedures on a variety of test cases is essential for effective surgical training. Simulated ultrasound imaging artifacts include reverberation and reflection of the cryoprobes in the unfrozen tissue, reflections caused by the freezing front, shadowing caused by the frozen region, and tissue property changes in repeated freeze-thaw cycles procedures. The simulated artifacts appear to preserve the key features observed in a clinical setting. This study displays an example of how training may benefit from toggling between the undisturbed ultrasound image, the simulated temperature field, the simulated imaging artifacts, and an augmented hybrid presentation of the temperature field superimposed on the ultrasound image. The proposed method is demonstrated on a graphic processing unit at 100 frames per second, on a mid-range personal workstation, at two orders of magnitude faster than a typical cryoprocedure. This performance is based on computation with C++ accelerated massive parallelism and its interoperability with the DirectX-rendering application programming interface.

GPU-Based Simulation of Ultrasound Imaging Artifacts for Cryosurgery Training

PubMed Central

Keelan, Robert; Shimada, Kenji

2016-01-01

This study presents an efficient computational technique for the simulation of ultrasound imaging artifacts associated with cryosurgery based on nonlinear ray tracing. This study is part of an ongoing effort to develop computerized training tools for cryosurgery, with prostate cryosurgery as a development model. The capability of performing virtual cryosurgical procedures on a variety of test cases is essential for effective surgical training. Simulated ultrasound imaging artifacts include reverberation and reflection of the cryoprobes in the unfrozen tissue, reflections caused by the freezing front, shadowing caused by the frozen region, and tissue property changes in repeated freeze–thaw cycles procedures. The simulated artifacts appear to preserve the key features observed in a clinical setting. This study displays an example of how training may benefit from toggling between the undisturbed ultrasound image, the simulated temperature field, the simulated imaging artifacts, and an augmented hybrid presentation of the temperature field superimposed on the ultrasound image. The proposed method is demonstrated on a graphic processing unit at 100 frames per second, on a mid-range personal workstation, at two orders of magnitude faster than a typical cryoprocedure. This performance is based on computation with C++ accelerated massive parallelism and its interoperability with the DirectX-rendering application programming interface. PMID:26818026

Optimization Design of Bipolar Plate Flow Field in PEM Stack

NASA Astrophysics Data System (ADS)

Wen, Ming; He, Kanghao; Li, Peilong; Yang, Lei; Deng, Li; Jiang, Fei; Yao, Yong

2017-12-01

A new design of bipolar plate flow field in proton exchange membrane (PEM) stack was presented to develop a high-performance transfer efficiency of the two-phase flow. Two different flow fields were studied by using numerical simulations and the performance of the flow fields was presented. the hydrodynamic properties include pressure gap between inlet and outlet, the Reynold’s number of the two types were compared based on the Navier-Stokes equations. Computer aided optimization software was implemented in the design of experiments of the preferable flow field. The design of experiments (DOE) for the favorable concept was carried out to study the hydrodynamic properties when changing the design parameters of the bipolar plate.

Atomistic polarizable force field for molecular dynamics simulations of azide anion containing ionic liquids and crystals.

NASA Astrophysics Data System (ADS)

Starovoytov, Oleg; Hooper, Justin; Borodin, Oleg; Smith, Grant

2010-03-01

Atomistic polarizable force field has been developed for a number of azide anion containing ionic liquids and crystals. Hybrid Molecular Dynamics/Monte Carlo (MD/MC) simulations were performed on methylguanazinium azide and 1-(2-butynyl)-3-methyl-imidazolium azide crystals, while 1-butyl-2,3-dimethylimidazolium azide and 1-amino-3-methyl-1,2,3-triazolium azide ionic liquids were investigated using MD simulations. Crystal cell parameters and crystal structures of 1-(2-butynyl)-3-methyl-imidazolium azide were found in good agreement with X-ray experimental data. Density and ion transport of 1-butyl-2,3-dimethylimidazolium azide predicted from MD simulations were in good agreement with experiments. Details of the ionic liquid structure and relaxation mechanism will be discussed.

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

de Hatten, Xavier; Cournia, Zoe; Huc, Ivan

The increasing importance of hydrogenase enzymes in the new energy research field has led us to examine the structure and dynamics of potential hydrogenase mimics, based on a ferrocene-peptide scaffold, using molecular dynamics (MD) simulations. To enable this MD study, a molecular mechanics force field for ferrocene-bearing peptides was developed and implemented in the CHARMM simulation package, thus extending the usefulness of the package into peptide-bioorganometallic chemistry. Using the automated frequency-matching method (AFMM), optimized intramolecular force-field parameters were generated through quantum chemical reference normal modes. The partial charges for ferrocene were derived by fitting point charges to quantum-chemically computed electrostaticmore » potentials. The force field was tested against experimental X-ray crystal structures of dipeptide derivatives of ferrocene-1,1'-dicarboxylic acid. The calculations reproduce accurately the molecular geometries, including the characteristic C{sub 2}-symmetrical intramolecular hydrogen-bonding pattern, that were stable over 0.1 {micro}s MD simulations. The crystal packing properties of ferrocene-1-(D)alanine-(D)proline-1'-(D)alanine-(D)proline were also accurately reproduced. The lattice parameters of this crystal were conserved during a 0.1 {micro}s MD simulation and match the experimental values almost exactly. Simulations of the peptides in dichloromethane are also in good agreement with experimental NMR and circular dichroism (CD) data in solution. The developed force field was used to perform MD simulations on novel, as yet unsynthesized peptide fragments that surround the active site of [Ni-Fe] hydrogenase. The results of this simulation lead us to propose an improved design for synthetic peptide-based hydrogenase models. The presented MD simulation results of metallocenes thereby provide a convincing validation of our proposal to use ferrocene-peptides as minimal enzyme mimics.« less

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

De Hatten, Xavier; Cournia, Zoe; Smith, Jeremy C

The increasing importance of hydrogenase enzymes in the new energy research field has led us to examine the structure and dynamics of potential hydrogenase mimics, based on a ferrocene-peptide scaffold, using molecular dynamics (MD) simulations. To enable this MD study, a molecular mechanics force field for ferrocene-bearing peptides was developed and implemented in the CHARMM simulation package, thus extending the usefulness of the package into peptide-bioorganometallic chemistry. Using the automated frequency-matching method (AFMM), optimized intramolecular force-field parameters were generated through quantum chemical reference normal modes. The partial charges for ferrocene were derived by fitting point charges to quantum-chemically computed electrostaticmore » potentials. The force field was tested against experimental X-ray crystal structures of dipeptide derivatives of ferrocene-1,1{prime}-dicarboxylic acid. The calculations reproduce accurately the molecular geometries, including the characteristic C2-symmetrical intramolecular hydrogen-bonding pattern, that were stable over 0.1{micro}s MD simulations. The crystal packing properties of ferrocene-1-(D)alanine-(D)proline{prime}-1-(D)alanine-(D)proline were also accurately reproduced. The lattice parameters of this crystal were conserved during a 0.1 s MD simulation and match the experimental values almost exactly. Simulations of the peptides in dichloromethane are also in good agreement with experimental NMR and circular dichroism (CD) data in solution. The developed force field was used to perform MD simulations on novel, as yet unsynthesized peptide fragments that surround the active site of [Ni-Fe] hydrogenase. The results of this simulation lead us to propose an improved design for synthetic peptide-based hydrogenase models. The presented MD simulation results of metallocenes thereby provide a convincing validation of our proposal to use ferrocene-peptides as minimal enzyme mimics.« less

Evaluation of CSM-CROPGRO-Cotton for simulating effects of management and climate change on cotton growth and evapotranspiration in an arid environment

USDA-ARS?s Scientific Manuscript database

Originally developed for simulating soybean growth and development, the CROPGRO model was recently re-parameterized for cotton. However, further efforts are necessary to evaluate the model's performance against field measurements for new environments and management options. The objective of this stu...

Programming Video Games and Simulations in Science Education: Exploring Computational Thinking through Code Analysis

ERIC Educational Resources Information Center

Garneli, Varvara; Chorianopoulos, Konstantinos

2018-01-01

Various aspects of computational thinking (CT) could be supported by educational contexts such as simulations and video-games construction. In this field study, potential differences in student motivation and learning were empirically examined through students' code. For this purpose, we performed a teaching intervention that took place over five…

RESULTS OF PHOTOCHEMICAL SIMULATIONS OF SUBGRID SCALE POINT SOURCE EMISSIONS WITH THE MODELS-3 CMAQ MODELING SYSTEM

EPA Science Inventory

The Community Multiscale Air Quality (CMAQ) / Plume-in-Grid (PinG) model was applied on a domain encompassing the greater Nashville, Tennessee region. Model simulations were performed for selected days in July 1995 during the Southern Oxidant Study (SOS) field study program wh...

Fluid dynamics simulation for design on sludge drying equipment

NASA Astrophysics Data System (ADS)

Li, Shuiping; Liang, Wang; Kai, Zhang

2017-10-01

Sludge drying equipment is a key component in the sludge drying disposal, the structure of drying equipment directly affects the drying disposal of the sludge, so it is necessary to analyse the performance of the drying equipment with different structure. Fluent software can be very convenient to get the distribution of the flow field and temperature field inside the drying equipment which reflects the performance of the structure. In this paper, the outlet position of the sludge and the shape of the sludge inlet are designed. The geometrical model of the drying equipment is established by using pre-processing software Gambit, and the meshing of the model is carried out. The Eulerian model is used to simulate the flow of each phase and the interaction between them, and the realizable turbulence model is used to simulate the turbulence of each phase. Finally, the simulation results of the scheme are compared and the optimal structure scheme is obtained, the operational requirement is proposed. The CFD theory provides a reliable basis for the drying equipment research and reduces the time and costs of the research.

A novel preterm respiratory mechanics active simulator to test the performances of neonatal pulmonary ventilators

NASA Astrophysics Data System (ADS)

Cappa, Paolo; Sciuto, Salvatore Andrea; Silvestri, Sergio

2002-06-01

A patient active simulator is proposed which is capable of reproducing values of the parameters of pulmonary mechanics of healthy newborns and preterm pathological infants. The implemented prototype is able to: (a) let the operator choose the respiratory pattern, times of apnea, episodes of cough, sobs, etc., (b) continuously regulate and control the parameters characterizing the pulmonary system; and, finally, (c) reproduce the attempt of breathing of a preterm infant. Taking into account both the limitation due to the chosen application field and the preliminary autocalibration phase automatically carried out by the proposed device, accuracy and reliability on the order of 1% is estimated. The previously indicated value has to be considered satisfactory in light of the field of application and the small values of the simulated parameters. Finally, the achieved metrological characteristics allow the described neonatal simulator to be adopted as a reference device to test performances of neonatal ventilators and, more specifically, to measure the time elapsed between the occurrence of a potentially dangerous condition to the patient and the activation of the corresponding alarm of the tested ventilator.

Training Effectiveness of a Wide Area Virtual Environment in Medical Simulation.

PubMed

Wier, Grady S; Tree, Rebekah; Nusr, Rasha

2017-02-01

The success of war fighters and medical personnel handling traumatic injuries largely depends on the quality of training they receive before deployment. The purpose of this study was to gauge the utility of a Wide Area Virtual Environment (WAVE) as a training adjunct by comparing and evaluating student performance, measuring sense of realism, and assessing the impact on student satisfaction with their training exposure in an immersive versus a field environment. This comparative prospective cohort study examined the utility of a three-screen WAVE where subjects were immersed in the training environment with medical simulators. Standard field training commenced for the control group subjects. Medical skills, time to completion, and Team Strategies and Tools to Enhance Performance and Patient Safety objective metrics were assessed for each team (n = 94). In addition, self-efficacy questionnaires were collected for each subject (N = 470). Medical teams received poorer overall team scores (F1,186 = 0.756, P = 0.001), took longer to complete the scenario (F1,186 = 25.15, P = 0.001), and scored lower on The National Registry of Emergency Medical Technicians trauma assessment checklist (F1,186 = 1.13, P = 0.000) in the WAVE versus the field environment. Critical thinking and realism factors within the self-efficacy questionnaires scored higher in the WAVE versus the field [(F1,466 = 8.04, P = 0.005), (F1,465 = 18.57, P = 0.000), and (F1,466 = 53.24, P = 0.000), respectively]. Environmental and emotional stressors may negatively affect critical thinking and clinical skill performance of medical teams. However, by introducing more advanced simulation trainings with added stressors, students may be able to adapt and overcome barriers to performance found in high-stress environments.

A spectral approach for discrete dislocation dynamics simulations of nanoindentation

NASA Astrophysics Data System (ADS)

Bertin, Nicolas; Glavas, Vedran; Datta, Dibakar; Cai, Wei

2018-07-01

We present a spectral approach to perform nanoindentation simulations using three-dimensional nodal discrete dislocation dynamics. The method relies on a two step approach. First, the contact problem between an indenter of arbitrary shape and an isotropic elastic half-space is solved using a spectral iterative algorithm, and the contact pressure is fully determined on the half-space surface. The contact pressure is then used as a boundary condition of the spectral solver to determine the resulting stress field produced in the simulation volume. In both stages, the mechanical fields are decomposed into Fourier modes and are efficiently computed using fast Fourier transforms. To further improve the computational efficiency, the method is coupled with a subcycling integrator and a special approach is devised to approximate the displacement field associated with surface steps. As a benchmark, the method is used to compute the response of an elastic half-space using different types of indenter. An example of a dislocation dynamics nanoindentation simulation with complex initial microstructure is presented.

Feasibility study for a numerical aerodynamic simulation facility. Volume 1

NASA Technical Reports Server (NTRS)

Lincoln, N. R.; Bergman, R. O.; Bonstrom, D. B.; Brinkman, T. W.; Chiu, S. H. J.; Green, S. S.; Hansen, S. D.; Klein, D. L.; Krohn, H. E.; Prow, R. P.

1979-01-01

A Numerical Aerodynamic Simulation Facility (NASF) was designed for the simulation of fluid flow around three-dimensional bodies, both in wind tunnel environments and in free space. The application of numerical simulation to this field of endeavor promised to yield economies in aerodynamic and aircraft body designs. A model for a NASF/FMP (Flow Model Processor) ensemble using a possible approach to meeting NASF goals is presented. The computer hardware and software are presented, along with the entire design and performance analysis and evaluation.

Plasma Heating Simulation in the VASIMR System

NASA Technical Reports Server (NTRS)

Ilin, Andrew V.; ChangDiaz, Franklin R.; Squire, Jared P.; Carter, Mark D.

2005-01-01

The paper describes the recent development in the simulation of the ion-cyclotron acceleration of the plasma in the VASIMR experiment. The modeling is done using an improved EMIR code for RF field calculation together with particle trajectory code for plasma transport calculat ion. The simulation results correlate with experimental data on the p lasma loading and predict higher ICRH performance for a higher density plasma target. These simulations assist in optimizing the ICRF anten na so as to achieve higher VASIMR efficiency.

Comparison of modeled and experimental PV array temperature profiles for accurate interpretation of module performance and degradation

NASA Astrophysics Data System (ADS)

Elwood, Teri; Simmons-Potter, Kelly

2017-08-01

Quantification of the effect of temperature on photovoltaic (PV) module efficiency is vital to the correct interpretation of PV module performance under varied environmental conditions. However, previous work has demonstrated that PV module arrays in the field are subject to significant location-based temperature variations associated with, for example, local heating/cooling and array edge effects. Such thermal non-uniformity can potentially lead to under-prediction or over-prediction of PV array performance due to an incorrect interpretation of individual module temperature de-rating. In the current work, a simulated method for modeling the thermal profile of an extended PV array has been investigated through extensive computational modeling utilizing ANSYS, a high-performance computational fluid dynamics (CFD) software tool. Using the local wind speed as an input, simulations were run to determine the velocity at particular points along modular strings corresponding to the locations of temperature sensors along strings in the field. The point velocities were utilized along with laminar flow theories in order to calculate Nusselt's number for each point. These calculations produced a heat flux profile which, when combined with local thermal and solar radiation profiles, were used as inputs in an ANSYS Thermal Transient model that generated a solar string operating temperature profile. A comparison of the data collected during field testing, and the data fabricated by ANSYS simulations, will be discussed in order to authenticate the accuracy of the model.

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

Romanov, Gennady; /Fermilab

CST Particle Studio combines electromagnetic field simulation, multi-particle tracking, adequate post-processing and advanced probabilistic emission model, which is the most important new capability in multipactor simulation. The emission model includes in simulation the stochastic properties of emission and adds primary electron elastic and inelastic reflection from the surfaces. The simulation of multipactor in coaxial waveguides have been performed to study the effects of the innovations on the multipactor threshold and the range over which multipactor can occur. The results compared with available previous experiments and simulations as well as the technique of MP simulation with CST PS are presented andmore » discussed.« less

Numerical modeling of aquifer thermal energy storage

NASA Astrophysics Data System (ADS)

Tsang, C. F.; Doughty, C.; Kincaid, C. T.

1982-12-01

During 1981 and 1982, Auburn University has been performing a three cycle ATES field experiment in Mobile County, Alabama. Details of the experiment are described elsewhere in this volume. Concurrent with the first two cycles (59 C and 82 C), Lawrence Berkeley Laboratory (LBL) did numerical simulations based on field operating conditions to predict the outcome of each cycle before its conclusion. Prior to the third cycle, a series of numerical simulations were made to aid in the design of an experiment that would yield the highest recovery factor possible.

NAS (Numerical Aerodynamic Simulation Program) technical summaries, March 1989 - February 1990

NASA Technical Reports Server (NTRS)

1990-01-01

Given here are selected scientific results from the Numerical Aerodynamic Simulation (NAS) Program's third year of operation. During this year, the scientific community was given access to a Cray-2 and a Cray Y-MP supercomputer. Topics covered include flow field analysis of fighter wing configurations, large-scale ocean modeling, the Space Shuttle flow field, advanced computational fluid dynamics (CFD) codes for rotary-wing airloads and performance prediction, turbulence modeling of separated flows, airloads and acoustics of rotorcraft, vortex-induced nonlinearities on submarines, and standing oblique detonation waves.

Molecular-dynamic simulations of the thermophysical properties of hexanitrohexaazaisowurtzitane single crystal at high pressures and temperatures

NASA Astrophysics Data System (ADS)

Kozlova, S. A.; Gubin, S. A.; Maklashova, I. V.; Selezenev, A. A.

2017-11-01

Molecular dynamic simulations of isothermal compression parameters are performed for a hexanitrohexaazaisowurtzitane single crystal (C6H6O12N12) using a modified ReaxFF-log reactive force field. It is shown that the pressure-compression ratio curve for a single C6H6O12N12 crystal at constant temperature T = 300 K in pressure range P = 0.05-40 GPa is in satisfactory agreement with experimental compression isotherms obtained for a single C6H6O12N12 crystal. Hugoniot molecular-dynamic simulations of the shock-wave hydrostatic compression of a single C6H6O12N12 crystal are performed. Along with Hugoniot temperature-pressure curves, calculated shock-wave pressure-compression ratios for a single C6H6O12N12 crystal are obtained for a wide pressure range of P = 1-40 GPa. It is established that the percussive adiabat obtained for a single C6H6O12N12 crystal is in a good agreement with the experimental data. All calculations are performed using a LAMMPS molecular dynamics simulation software package that provides a ReaxFF-lg reactive force field to support the approach.

Multiple wavelength spectral system simulating background light noise environment in satellite laser communications

NASA Astrophysics Data System (ADS)

Lu, Wei; Sun, Jianfeng; Hou, Peipei; Xu, Qian; Xi, Yueli; Zhou, Yu; Zhu, Funan; Liu, Liren

2017-08-01

Performance of satellite laser communications between GEO and LEO satellites can be influenced by background light noise appeared in the field of view due to sunlight or planets and some comets. Such influences should be studied on the ground testing platform before the space application. In this paper, we introduce a simulator that can simulate the real case of background light noise in space environment during the data talking via laser beam between two lonely satellites. This simulator can not only simulate the effect of multi-wavelength spectrum, but also the effects of adjustable angles of field-of-view, large range of adjustable optical power and adjustable deflection speeds of light noise in space environment. We integrate these functions into a device with small and compact size for easily mobile use. Software control function is also achieved via personal computer to adjust these functions arbitrarily. Keywords:

Effect of External Economic-Field Cycle and Market Temperature on Stock-Price Hysteresis: Monte Carlo Simulation on the Ising Spin Model

NASA Astrophysics Data System (ADS)

Punya Jaroenjittichai, Atchara; Laosiritaworn, Yongyut

2017-09-01

In this work, the stock-price versus economic-field hysteresis was investigated. The Ising spin Hamiltonian was utilized as the level of ‘disagreement’ in describing investors’ behaviour. The Ising spin directions were referred to an investor’s intention to perform his action on trading his stock. The periodic economic variation was also considered via the external economic-field in the Ising model. The stochastic Monte Carlo simulation was performed on Ising spins, where the steady-state excess demand and supply as well as the stock-price were extracted via the magnetization. From the results, the economic-field parameters and market temperature were found to have significant effect on the dynamic magnetization and stock-price behaviour. Specifically, the hysteresis changes from asymmetric to symmetric loops with increasing market temperature and economic-field strength. However, the hysteresis changes from symmetric to asymmetric loops with increasing the economic-field frequency, when either temperature or economic-field strength is large enough, and returns to symmetric shape at very high frequencies. This suggests competitive effects among field and temperature factors on the hysteresis characteristic, implying multi-dimensional complicated non-trivial relationship among inputs-outputs. As is seen, the results reported (over extensive range) can be used as basis/guideline for further analysis/quantifying how economic-field and market-temperature affect the stock-price distribution on the course of economic cycle.

[Modeling and analysis of volume conduction based on field-circuit coupling].

PubMed

Tang, Zhide; Liu, Hailong; Xie, Xiaohui; Chen, Xiufa; Hou, Deming

2012-08-01

Numerical simulations of volume conduction can be used to analyze the process of energy transfer and explore the effects of some physical factors on energy transfer efficiency. We analyzed the 3D quasi-static electric field by the finite element method, and developed A 3D coupled field-circuit model of volume conduction basing on the coupling between the circuit and the electric field. The model includes a circuit simulation of the volume conduction to provide direct theoretical guidance for energy transfer optimization design. A field-circuit coupling model with circular cylinder electrodes was established on the platform of the software FEM3.5. Based on this, the effects of electrode cross section area, electrode distance and circuit parameters on the performance of volume conduction system were obtained, which provided a basis for optimized design of energy transfer efficiency.

A Comparison of 3D3C Velocity Measurement Techniques

NASA Astrophysics Data System (ADS)

La Foy, Roderick; Vlachos, Pavlos

2013-11-01

The velocity measurement fidelity of several 3D3C PIV measurement techniques including tomographic PIV, synthetic aperture PIV, plenoptic PIV, defocusing PIV, and 3D PTV are compared in simulations. A physically realistic ray-tracing algorithm is used to generate synthetic images of a standard calibration grid and of illuminated particle fields advected by homogeneous isotropic turbulence. The simulated images for the tomographic, synthetic aperture, and plenoptic PIV cases are then used to create three-dimensional reconstructions upon which cross-correlations are performed to yield the measured velocity field. Particle tracking algorithms are applied to the images for the defocusing PIV and 3D PTV to directly yield the three-dimensional velocity field. In all cases the measured velocity fields are compared to one-another and to the true velocity field using several metrics.

Integrated simulation of magnetic-field-assist fast ignition laser fusion

NASA Astrophysics Data System (ADS)

Johzaki, T.; Nagatomo, H.; Sunahara, A.; Sentoku, Y.; Sakagami, H.; Hata, M.; Taguchi, T.; Mima, K.; Kai, Y.; Ajimi, D.; Isoda, T.; Endo, T.; Yogo, A.; Arikawa, Y.; Fujioka, S.; Shiraga, H.; Azechi, H.

2017-01-01

To enhance the core heating efficiency in fast ignition laser fusion, the concept of relativistic electron beam guiding by external magnetic fields was evaluated by integrated simulations for FIREX class targets. For the cone-attached shell target case, the core heating performance deteriorates by applying magnetic fields since the core is considerably deformed and most of the fast electrons are reflected due to the magnetic mirror formed through the implosion. On the other hand, in the case of a cone-attached solid ball target, the implosion is more stable under the kilo-tesla-class magnetic field. In addition, feasible magnetic field configuration is formed through the implosion. As a result, the core heating efficiency doubles by magnetic guiding. The dependence of core heating properties on the heating pulse shot timing was also investigated for the solid ball target.

Reservoir model for Hillsboro gas storage field management

USGS Publications Warehouse

Udegbunam, Emmanuel O.; Kemppainen, Curt; Morgan, Jim; ,

1995-01-01

A 3-dimensional reservoir model is used to understand the behavior of the Hillsboro Gas Storage Field and to investigate the field's performance under various future development. Twenty-two years of the gas storage reservoir history, comprising the initial gas bubble development and seasonal gas injection and production cycles, are examined with a full-field, gas water, reservoir simulation model. The results suggest that the gas-water front is already in the vicinity of the west observation well that increasing the field's total gas-in-place volume would cause gas to migrate beyond the east, north and west observation well. They also suggest that storage enlargement through gas injection into the lower layers may not prevent gas migration. Moreover, the results suggest that the addition of strategically-located new wells would boost the simulated gas deliverabilities.

Performance limits of tunnel transistors based on mono-layer transition-metal dichalcogenides

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

Jiang, Xiang-Wei, E-mail: xwjiang@semi.ac.cn; Li, Shu-Shen; Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026

2014-05-12

Performance limits of tunnel field-effect transistors based on mono-layer transition metal dichalcogenides are investigated through numerical quantum mechanical simulations. The atomic mono-layer nature of the devices results in a much smaller natural length λ, leading to much larger electric field inside the tunneling diodes. As a result, the inter-band tunneling currents are found to be very high as long as ultra-thin high-k gate dielectric is possible. The highest on-state driving current is found to be close to 600 μA/μm at V{sub g} = V{sub d} = 0.5 V when 2 nm thin HfO{sub 2} layer is used for gate dielectric, outperforming most of the conventional semiconductor tunnelmore » transistors. In the five simulated transition-metal dichalcogenides, mono-layer WSe{sub 2} based tunnel field-effect transistor shows the best potential. Deep analysis reveals that there is plenty room to further enhance the device performance by either geometry, alloy, or strain engineering on these mono-layer materials.« less

Thermal Performance of Cryogenic Piping Multilayer Insulation in Actual Field Installations

NASA Technical Reports Server (NTRS)

Fesmire, J.; Augustnynowicz, S.; Thompson, K. (Technical Monitor)

2002-01-01

A standardized way of comparing the thermal performance of different pipelines in different sizes is needed. Vendor data for vacuum-insulated piping are typically given in heat leak rate per unit length (W/m) for a specific diameter pipeline. An overall k-value for actual field installations (k(sub oafi)) is therefore proposed as a more generalized measure for thermal performance comparison and design calculation. The k(sub oafi) provides a direct correspondence to the k-values reported for insulation materials and illustrates the large difference between ideal multilayer insulation (MLI) and actual MLI performance. In this experimental research study, a section of insulated piping was tested under cryogenic vacuum conditions, including simulated spacers and bending. Several different insulation systems were tested using a 1-meter-long cylindrical cryostat test apparatus. The simulated spacers tests showed significant degradation in the thermal performance of a given insulation system. An 18-meter-long pipeline test apparatus is now in operation at the Cryogenics Test Laboratory, NASA Kennedy Space Center, for conducting liquid nitrogen thermal performance tests.

Molecular dynamics simulations of AP/HMX composite with a modified force field.

PubMed

Zhu, Wei; Wang, Xijun; Xiao, Jijun; Zhu, Weihua; Sun, Huai; Xiao, Heming

2009-08-15

An all-atom force field for ammonium perchlorate (AP) is developed with the framework of pcff force field. The structural parameters of AP obtained with the modified force field are in good agreement with experimental values. Molecular dynamics (MD) simulations have been performed to investigate AP/HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) composite at different temperatures. The binding energies, thermal expansion coefficient, and the trigger bond lengths of HMX in the AP/HMX composite have been obtained. The binding energies of the system increase slightly with temperature increasing, peak at 245K, and then gradually decrease. The volume thermal expansion coefficient of the AP/HMX composite has been derived from the volume variation with temperature. As the temperature rises, the maximal lengths of the trigger bond N-NO(2) of HMX increase gradually. The simulated results indicate that the maximal length of trigger bond can be used as a criterion for judging the sensitivity of energetic composite.

Weather model performance on extreme rainfall events simulation's over Western Iberian Peninsula

NASA Astrophysics Data System (ADS)

Pereira, S. C.; Carvalho, A. C.; Ferreira, J.; Nunes, J. P.; Kaiser, J. J.; Rocha, A.

2012-08-01

This study evaluates the performance of the WRF-ARW numerical weather model in simulating the spatial and temporal patterns of an extreme rainfall period over a complex orographic region in north-central Portugal. The analysis was performed for the December month of 2009, during the Portugal Mainland rainy season. The heavy rainfall to extreme heavy rainfall periods were due to several low surface pressure's systems associated with frontal surfaces. The total amount of precipitation for December exceeded, in average, the climatological mean for the 1971-2000 time period in +89 mm, varying from 190 mm (south part of the country) to 1175 mm (north part of the country). Three model runs were conducted to assess possible improvements in model performance: (1) the WRF-ARW is forced with the initial fields from a global domain model (RunRef); (2) data assimilation for a specific location (RunObsN) is included; (3) nudging is used to adjust the analysis field (RunGridN). Model performance was evaluated against an observed hourly precipitation dataset of 15 rainfall stations using several statistical parameters. The WRF-ARW model reproduced well the temporal rainfall patterns but tended to overestimate precipitation amounts. The RunGridN simulation provided the best results but model performance of the other two runs was good too, so that the selected extreme rainfall episode was successfully reproduced.

Demonstration of hetero-gate-dielectric tunneling field-effect transistors (HG TFETs).

PubMed

Choi, Woo Young; Lee, Hyun Kook

2016-01-01

The steady scaling-down of semiconductor device for improving performance has been the most important issue among researchers. Recently, as low-power consumption becomes one of the most important requirements, there have been many researches about novel devices for low-power consumption. Though scaling supply voltage is the most effective way for low-power consumption, performance degradation is occurred for metal-oxide-semiconductor field-effect transistors (MOSFETs) when supply voltage is reduced because subthreshold swing (SS) of MOSFETs cannot be lower than 60 mV/dec. Thus, in this thesis, hetero-gate-dielectric tunneling field-effect transistors (HG TFETs) are investigated as one of the most promising alternatives to MOSFETs. By replacing source-side gate insulator with a high- k material, HG TFETs show higher on-current, suppressed ambipolar current and lower SS than conventional TFETs. Device design optimization through simulation was performed and fabrication based on simulation demonstrated that performance of HG TFETs were better than that of conventional TFETs. Especially, enlargement of gate insulator thickness while etching gate insulator at the source side was improved by introducing HF vapor etch process. In addition, the proposed HG TFETs showed higher performance than our previous results by changing structure of sidewall spacer by high- k etching process.

Optimal simulations of ultrasonic fields produced by large thermal therapy arrays using the angular spectrum approach

PubMed Central

Zeng, Xiaozheng; McGough, Robert J.

2009-01-01

The angular spectrum approach is evaluated for the simulation of focused ultrasound fields produced by large thermal therapy arrays. For an input pressure or normal particle velocity distribution in a plane, the angular spectrum approach rapidly computes the output pressure field in a three dimensional volume. To determine the optimal combination of simulation parameters for angular spectrum calculations, the effect of the size, location, and the numerical accuracy of the input plane on the computed output pressure is evaluated. Simulation results demonstrate that angular spectrum calculations performed with an input pressure plane are more accurate than calculations with an input velocity plane. Results also indicate that when the input pressure plane is slightly larger than the array aperture and is located approximately one wavelength from the array, angular spectrum simulations have very small numerical errors for two dimensional planar arrays. Furthermore, the root mean squared error from angular spectrum simulations asymptotically approaches a nonzero lower limit as the error in the input plane decreases. Overall, the angular spectrum approach is an accurate and robust method for thermal therapy simulations of large ultrasound phased arrays when the input pressure plane is computed with the fast nearfield method and an optimal combination of input parameters. PMID:19425640

A compositional reservoir simulator on distributed memory parallel computers

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

Rame, M.; Delshad, M.

1995-12-31

This paper presents the application of distributed memory parallel computes to field scale reservoir simulations using a parallel version of UTCHEM, The University of Texas Chemical Flooding Simulator. The model is a general purpose highly vectorized chemical compositional simulator that can simulate a wide range of displacement processes at both field and laboratory scales. The original simulator was modified to run on both distributed memory parallel machines (Intel iPSC/960 and Delta, Connection Machine 5, Kendall Square 1 and 2, and CRAY T3D) and a cluster of workstations. A domain decomposition approach has been taken towards parallelization of the code. Amore » portion of the discrete reservoir model is assigned to each processor by a set-up routine that attempts a data layout as even as possible from the load-balance standpoint. Each of these subdomains is extended so that data can be shared between adjacent processors for stencil computation. The added routines that make parallel execution possible are written in a modular fashion that makes the porting to new parallel platforms straight forward. Results of the distributed memory computing performance of Parallel simulator are presented for field scale applications such as tracer flood and polymer flood. A comparison of the wall-clock times for same problems on a vector supercomputer is also presented.« less

Numerical simulations of tropical cyclones with assimilation of satellite, radar and in-situ observations: lessons learned from recent field programs and real-time experimental forecasts

NASA Astrophysics Data System (ADS)

Pu, Z.; Zhang, L.

2010-12-01

The impact of data assimilation on the predictability of tropical cyclones is examined with the cases from recent field programs and real-time hurricane forecast experiments. Mesoscale numerical simulations are performed to simulate major typhoons during the T-PARC/TCS08 field campaign with the assimilation of satellite, radar and in-situ observations. Results confirmed that data assimilation has indeed resulted in improved numerical simulations of tropical cyclones. However, positive impacts from the satellite and radar data are strongly depend on the quality of these data. Specifically, it is found that the overall impacts of assimilating AIRS retrieved atmospheric temperature and moisture profiles on numerical simulations of tropical cyclones are very sensitive to the bias corrections of the data.For instance, the dry biases of moisture profiles can cause the decay of tropical cyclones in the numerical simulations.In addition, the quality of airborne Doppler radar data has strong influence on numerical simulations of tropical cyclones in terms of their track, intensity and precipitation structures. Outcomes from assimilating radar data with various quality thresholds suggest that a trade-off between the quality and area coverage of the radar data is necessary in the practice. Some of those experiences obtained from the field case studies are applied to the near-real time experimental hurricane forecasts during the 2010 hurricane season. Results and issues raised from the case studies and real-time experiments will be discussed.

GCR Simulator Development Status at the NASA Space Radiation Laboratory

NASA Technical Reports Server (NTRS)

Slaba, T. C.; Norbury, J. W.; Blattnig, S. R.

2015-01-01

There are large uncertainties connected to the biological response for exposure to galactic cosmic rays (GCR) on long duration deep space missions. In order to reduce the uncertainties and gain understanding about the basic mechanisms through which space radiation initiates cancer and other endpoints, radiobiology experiments are performed with mono-energetic ions beams. Some of the accelerator facilities supporting such experiments have matured to a point where simulating the broad range of particles and energies characteristic of the GCR environment in a single experiment is feasible from a technology, usage, and cost perspective. In this work, several aspects of simulating the GCR environment at the NASA Space Radiation Laboratory (NSRL) are discussed. First, comparisons are made between direct simulation of the external, free space GCR field, and simulation of the induced tissue field behind shielding. It is found that upper energy constraints at NSRL limit the ability to simulate the external, free space field directly (i.e. shielding placed in the beam line in front of a biological target and exposed to a free space spectrum). Second, a reference environment for the GCR simulator and suitable for deep space missions is identified and described in terms of fluence and integrated dosimetric quantities. Analysis results are given to justify the use of a single reference field over a range of shielding conditions and solar activities. Third, an approach for simulating the reference field at NSRL is presented. The approach directly considers the hydrogen and helium energy spectra, and the heavier ions are collectively represented by considering the linear energy transfer (LET) spectrum. While many more aspects of the experimental setup need to be considered before final implementation of the GCR simulator, this preliminary study provides useful information that should aid the final design. Possible drawbacks of the proposed methodology are discussed and weighed against alternative simulation strategies.

JASMINE simulator

NASA Astrophysics Data System (ADS)

Yamada, Yoshiyuki; Gouda, Naoteru; Yano, Taihei; Kobayashi, Yukiyasu; Tsujimoto, Takuji; Suganuma, Masahiro; Niwa, Yoshito; Sako, Nobutada; Hatsutori, Yoichi; Tanaka, Takashi

2006-06-01

We explain simulation tools in JASMINE project (JASMINE simulator). The JASMINE project stands at the stage where its basic design will be determined in a few years. Then it is very important to simulate the data stream generated by astrometric fields at JASMINE in order to support investigations into error budgets, sampling strategy, data compression, data analysis, scientific performances, etc. Of course, component simulations are needed, but total simulations which include all components from observation target to satellite system are also very important. We find that new software technologies, such as Object Oriented(OO) methodologies are ideal tools for the simulation system of JASMINE(the JASMINE simulator). In this article, we explain the framework of the JASMINE simulator.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

NASA Astrophysics Data System (ADS)

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; Niklasson, Anders M. N.; Head-Gordon, Teresa; Skylaris, Chris-Kriton

2017-03-01

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities are treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.

Mixed integer simulation optimization for optimal hydraulic fracturing and production of shale gas fields

NASA Astrophysics Data System (ADS)

Li, J. C.; Gong, B.; Wang, H. G.

2016-08-01

Optimal development of shale gas fields involves designing a most productive fracturing network for hydraulic stimulation processes and operating wells appropriately throughout the production time. A hydraulic fracturing network design-determining well placement, number of fracturing stages, and fracture lengths-is defined by specifying a set of integer ordered blocks to drill wells and create fractures in a discrete shale gas reservoir model. The well control variables such as bottom hole pressures or production rates for well operations are real valued. Shale gas development problems, therefore, can be mathematically formulated with mixed-integer optimization models. A shale gas reservoir simulator is used to evaluate the production performance for a hydraulic fracturing and well control plan. To find the optimal fracturing design and well operation is challenging because the problem is a mixed integer optimization problem and entails computationally expensive reservoir simulation. A dynamic simplex interpolation-based alternate subspace (DSIAS) search method is applied for mixed integer optimization problems associated with shale gas development projects. The optimization performance is demonstrated with the example case of the development of the Barnett Shale field. The optimization results of DSIAS are compared with those of a pattern search algorithm.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory.

PubMed

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; Niklasson, Anders M N; Head-Gordon, Teresa; Skylaris, Chris-Kriton

2017-03-28

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities are treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes-in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

DOE PAGES

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; ...

2017-03-28

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities aremore » treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Furthermore, both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.« less

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

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

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities aremore » treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Furthermore, both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.« less

Coercivity of domain wall motion in thin films of amorphous rare earth-transition metal alloys

NASA Technical Reports Server (NTRS)

Mansuripur, M.; Giles, R. C.; Patterson, G.

1991-01-01

Computer simulations of a two dimensional lattice of magnetic dipoles are performed on the Connection Machine. The lattice is a discrete model for thin films of amorphous rare-earth transition metal alloys, which have application as the storage media in erasable optical data storage systems. In these simulations, the dipoles follow the dynamic Landau-Lifshitz-Gilbert equation under the influence of an effective field arising from local anisotropy, near-neighbor exchange, classical dipole-dipole interactions, and an externally applied field. Various sources of coercivity, such as defects and/or inhomogeneities in the lattice, are introduced and the subsequent motion of domain walls in response to external fields is investigated.

Effects of force fields on the conformational and dynamic properties of amyloid β(1-40) dimer explored by replica exchange molecular dynamics simulations.

PubMed

Watts, Charles R; Gregory, Andrew; Frisbie, Cole; Lovas, Sándor

2018-03-01

The conformational space and structural ensembles of amyloid beta (Aβ) peptides and their oligomers in solution are inherently disordered and proven to be challenging to study. Optimum force field selection for molecular dynamics (MD) simulations and the biophysical relevance of results are still unknown. We compared the conformational space of the Aβ(1-40) dimers by 300 ns replica exchange MD simulations at physiological temperature (310 K) using: the AMBER-ff99sb-ILDN, AMBER-ff99sb*-ILDN, AMBER-ff99sb-NMR, and CHARMM22* force fields. Statistical comparisons of simulation results to experimental data and previously published simulations utilizing the CHARMM22* and CHARMM36 force fields were performed. All force fields yield sampled ensembles of conformations with collision cross sectional areas for the dimer that are statistically significantly larger than experimental results. All force fields, with the exception of AMBER-ff99sb-ILDN (8.8 ± 6.4%) and CHARMM36 (2.7 ± 4.2%), tend to overestimate the α-helical content compared to experimental CD (5.3 ± 5.2%). Using the AMBER-ff99sb-NMR force field resulted in the greatest degree of variance (41.3 ± 12.9%). Except for the AMBER-ff99sb-NMR force field, the others tended to under estimate the expected amount of β-sheet and over estimate the amount of turn/bend/random coil conformations. All force fields, with the exception AMBER-ff99sb-NMR, reproduce a theoretically expected β-sheet-turn-β-sheet conformational motif, however, only the CHARMM22* and CHARMM36 force fields yield results compatible with collapse of the central and C-terminal hydrophobic cores from residues 17-21 and 30-36. Although analyses of essential subspace sampling showed only minor variations between force fields, secondary structures of lowest energy conformers are different. © 2017 Wiley Periodicals, Inc.

Simulated breeding with QU-GENE graphical user interface.

PubMed

Hathorn, Adrian; Chapman, Scott; Dieters, Mark

2014-01-01

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

Extension of coarse-grained UNRES force field to treat carbon nanotubes.

PubMed

Sieradzan, Adam K; Mozolewska, Magdalena A

2018-04-26

Carbon nanotubes (CNTs) have recently received considerable attention because of their possible applications in various branches of nanotechnology. For their cogent application, knowledge of their interactions with biological macromolecules, especially proteins, is essential and computer simulations are very useful for such studies. Classical all-atom force fields limit simulation time scale and size of the systems significantly. Therefore, in this work, we implemented CNTs into the coarse-grained UNited RESidue (UNRES) force field. A CNT is represented as a rigid infinite-length cylinder which interacts with a protein through the Kihara potential. Energy conservation in microcanonical coarse-grained molecular dynamics simulations and temperature conservation in canonical simulations with UNRES containing the CNT component have been verified. Subsequently, studies of three proteins, bovine serum albumin (BSA), soybean peroxidase (SBP), and α-chymotrypsin (CT), with and without CNTs, were performed to examine the influence of CNTs on the structure and dynamics of these proteins. It was found that nanotubes bind to these proteins and influence their structure. Our results show that the UNRES force field can be used for further studies of CNT-protein systems with 3-4 order of magnitude larger timescale than using regular all-atom force fields. Graphical abstract Bovine serum albumin (BSA), soybean peroxidase (SBP), and α-chymotrypsin (CT), with and without CNTsᅟ.

Field testing of two prototype air-source integrated heat pumps for net zero energy home (nZEH) application

DOE PAGES

Baxter, Van D.; Munk, Jeffrey D.

2017-11-08

By integrating multiple functions into a single system it offers potential efficiency and cost reduction benefits. Oak Ridge National Laboratory (ORNL) and its partners have designed, developed, and tested two air-source heat pump designs that not only provide space heating and cooling, but also water heating, dehumidification, and ventilation functions. Some details on the design, simulated performance, prototype field test, measured performance, and lessons learned are provided.

Field testing of two prototype air-source integrated heat pumps for net zero energy home (nZEH) application

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

Baxter, Van D.; Munk, Jeffrey D.

By integrating multiple functions into a single system it offers potential efficiency and cost reduction benefits. Oak Ridge National Laboratory (ORNL) and its partners have designed, developed, and tested two air-source heat pump designs that not only provide space heating and cooling, but also water heating, dehumidification, and ventilation functions. Some details on the design, simulated performance, prototype field test, measured performance, and lessons learned are provided.

Comparison of Numerically Simulated and Experimentally Measured Performance of a Rotating Detonation Engine

NASA Technical Reports Server (NTRS)

Paxson, Daniel E.; Fotia, Matthew L.; Hoke, John; Schauer, Fred

2015-01-01

A quasi-two-dimensional, computational fluid dynamic (CFD) simulation of a rotating detonation engine (RDE) is described. The simulation operates in the detonation frame of reference and utilizes a relatively coarse grid such that only the essential primary flow field structure is captured. This construction and other simplifications yield rapidly converging, steady solutions. Viscous effects, and heat transfer effects are modeled using source terms. The effects of potential inlet flow reversals are modeled using boundary conditions. Results from the simulation are compared to measured data from an experimental RDE rig with a converging-diverging nozzle added. The comparison is favorable for the two operating points examined. The utility of the code as a performance optimization tool and a diagnostic tool are discussed.

Simulation of periodically focused, adiabatic thermal beams

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

Chen, C.; Akylas, T. R.; Barton, T. J.

2012-12-21

Self-consistent particle-in-cell simulations are performed to verify earlier theoretical predictions of adiabatic thermal beams in a periodic solenoidal magnetic focusing field [K.R. Samokhvalova, J. Zhou and C. Chen, Phys. Plasma 14, 103102 (2007); J. Zhou, K.R. Samokhvalova and C. Chen, Phys. Plasma 15, 023102 (2008)]. In particular, results are obtained for adiabatic thermal beams that do not rotate in the Larmor frame. For such beams, the theoretical predictions of the rms beam envelope, the conservations of the rms thermal emittances, the adiabatic equation of state, and the Debye length are verified in the simulations. Furthermore, the adiabatic thermal beam ismore » found be stable in the parameter regime where the simulations are performed.« less

Development of Airport Surface Required Navigation Performance (RNP)

NASA Technical Reports Server (NTRS)

Cassell, Rick; Smith, Alex; Hicok, Dan

1999-01-01

The U.S. and international aviation communities have adopted the Required Navigation Performance (RNP) process for defining aircraft performance when operating the en-route, approach and landing phases of flight. RNP consists primarily of the following key parameters - accuracy, integrity, continuity, and availability. The processes and analytical techniques employed to define en-route, approach and landing RNP have been applied in the development of RNP for the airport surface. To validate the proposed RNP requirements several methods were used. Operational and flight demonstration data were analyzed for conformance with proposed requirements, as were several aircraft flight simulation studies. The pilot failure risk component was analyzed through several hypothetical scenarios. Additional simulator studies are recommended to better quantify crew reactions to failures as well as additional simulator and field testing to validate achieved accuracy performance, This research was performed in support of the NASA Low Visibility Landing and Surface Operations Programs.

Simulation and analysis of a geopotential research mission

NASA Technical Reports Server (NTRS)

Schutz, B. E.

1987-01-01

Computer simulations were performed for a Geopotential Research Mission (GRM) to enable the study of the gravitational sensitivity of the range rate measurements between the two satellites and to provide a set of simulated measurements to assist in the evaluation of techniques developed for the determination of the gravity field. The simulations were conducted with two satellites in near circular, frozen orbits at 160 km altitudes separated by 300 km. High precision numerical integration of the polar orbits were used with a gravitational field complete to degree and order 360. The set of simulated data for a mission duration of about 32 days was generated on a Cray X-MP computer. The results presented cover the most recent simulation, S8703, and includes a summary of the numerical integration of the simulated trajectories, a summary of the requirements to compute nominal reference trajectories to meet the initial orbit determination requirements for the recovery of the geopotential, an analysis of the nature of the one way integrated Doppler measurements associated with the simulation, and a discussion of the data set to be made available.

Carbonaceous aerosols and Impacts on regional climate over South Asia

NASA Astrophysics Data System (ADS)

Pathak, B.; Parottil, A.

2017-12-01

A comprehensive assessment on the effects of carbonaceous aerosols over regional climate of South Asia CORDEX Domain is carried out using the ICTP developed Regional climate model version 4 (RegCM 4.4). Five different simulations considering (a) Carbonaceous aerosols with feedback to meteorological field (EXP1), (b) Carbonaceous aerosols without feedback to meteorological field (c) only Black Carbon with feed back to meteorological field (EXP3) and (d) only Black Carbon without feed back to meteorological field (EXP4) and only meteorology simulation (CNTL) are performed. All the five experiments are integrated from 01 January 2008 to 01 January 2012 continuously with a horizontal resolution of 50 km with first one year as spin up time. The simulated meteorology for all the simulations is validated by comparing with observations. The influence of carbonaceous aerosols on Direct Radiative Forcing (DRF) at the top of the atmosphere (TOA) and within the atmosphere (ATM) over the South Asian region with focus on Indian subcontinent is carried out. The contribution of black carbon to the total DRF and its significance is analyzed. Modulation in precipitation and temperature with the aerosol-climate feedback is studied by comparing the meteorological parameters in CNTL with CARB/BC with and without feedback simulations. In general, black carbon is found to reduce the precipitation, wind over the region more strongly than total carbonaceous aerosols. Role of black carbon in warming the surface is investigated by comparing the RegCM simulation considering both biomass burning and anthropogenic emissions with simulations considering only anthropogenic simulations.

Correlative SEM SERS for quantitative analysis of dimer nanoparticles.

PubMed

Timmermans, F J; Lenferink, A T M; van Wolferen, H A G M; Otto, C

2016-11-14

A Raman microscope integrated with a scanning electron microscope was used to investigate plasmonic structures by correlative SEM-SERS analysis. The integrated Raman-SEM microscope combines high-resolution electron microscopy information with SERS signal enhancement from selected nanostructures with adsorbed Raman reporter molecules. Correlative analysis is performed for dimers of two gold nanospheres. Dimers were selected on the basis of SEM images from multi aggregate samples. The effect of the orientation of the dimer with respect to the polarization state of the laser light and the effect of the particle gap size on the Raman signal intensity is observed. Additionally, calculations are performed to simulate the electric near field enhancement. These simulations are based on the morphologies observed by electron microscopy. In this way the experiments are compared with the enhancement factor calculated with near field simulations and are subsequently used to quantify the SERS enhancement factor. Large differences between experimentally observed and calculated enhancement factors are regularly detected, a phenomenon caused by nanoscale differences between the real and 'simplified' simulated structures. Quantitative SERS experiments reveal the structure induced enhancement factor, ranging from ∼200 to ∼20 000, averaged over the full nanostructure surface. The results demonstrate correlative Raman-SEM microscopy for the quantitative analysis of plasmonic particles and structures, thus enabling a new analytical method in the field of SERS and plasmonics.

MR-based measurements and simulations of the magnetic field created by a realistic transcranial magnetic stimulation (TMS) coil and stimulator.

PubMed

Mandija, Stefano; Petrov, Petar I; Neggers, Sebastian F W; Luijten, Peter R; van den Berg, Cornelis A T

2016-11-01

Transcranial magnetic stimulation (TMS) is an emerging technique that allows non-invasive neurostimulation. However, the correct validation of electromagnetic models of typical TMS coils and the correct assessment of the incident TMS field (B TMS ) produced by standard TMS stimulators are still lacking. Such a validation can be performed by mapping B TMS produced by a realistic TMS setup. In this study, we show that MRI can provide precise quantification of the magnetic field produced by a realistic TMS coil and a clinically used TMS stimulator in the region in which neurostimulation occurs. Measurements of the phase accumulation created by TMS pulses applied during a tailored MR sequence were performed in a phantom. Dedicated hardware was developed to synchronize a typical, clinically used, TMS setup with a 3-T MR scanner. For comparison purposes, electromagnetic simulations of B TMS were performed. MR-based measurements allow the mapping and quantification of B TMS starting 2.5 cm from the TMS coil. For closer regions, the intra-voxel dephasing induced by B TMS prohibits TMS field measurements. For 1% TMS output, the maximum measured value was ~0.1 mT. Simulations reflect quantitatively the experimental data. These measurements can be used to validate electromagnetic models of TMS coils, to guide TMS coil positioning, and for dosimetry and quality assessment of concurrent TMS-MRI studies without the need for crude methods, such as motor threshold, for stimulation dose determination. Copyright © 2016 John Wiley & Sons, Ltd.

Radiation doses in volume-of-interest breast computed tomography—A Monte Carlo simulation study

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

Lai, Chao-Jen, E-mail: cjlai3711@gmail.com; Zhong, Yuncheng; Yi, Ying

2015-06-15

Purpose: Cone beam breast computed tomography (breast CT) with true three-dimensional, nearly isotropic spatial resolution has been developed and investigated over the past decade to overcome the problem of lesions overlapping with breast anatomical structures on two-dimensional mammographic images. However, the ability of breast CT to detect small objects, such as tissue structure edges and small calcifications, is limited. To resolve this problem, the authors proposed and developed a volume-of-interest (VOI) breast CT technique to image a small VOI using a higher radiation dose to improve that region’s visibility. In this study, the authors performed Monte Carlo simulations to estimatemore » average breast dose and average glandular dose (AGD) for the VOI breast CT technique. Methods: Electron–Gamma-Shower system code-based Monte Carlo codes were used to simulate breast CT. The Monte Carlo codes estimated were validated using physical measurements of air kerma ratios and point doses in phantoms with an ion chamber and optically stimulated luminescence dosimeters. The validated full cone x-ray source was then collimated to simulate half cone beam x-rays to image digital pendant-geometry, hemi-ellipsoidal, homogeneous breast phantoms and to estimate breast doses with full field scans. 13-cm in diameter, 10-cm long hemi-ellipsoidal homogeneous phantoms were used to simulate median breasts. Breast compositions of 25% and 50% volumetric glandular fractions (VGFs) were used to investigate the influence on breast dose. The simulated half cone beam x-rays were then collimated to a narrow x-ray beam with an area of 2.5 × 2.5 cm{sup 2} field of view at the isocenter plane and to perform VOI field scans. The Monte Carlo results for the full field scans and the VOI field scans were then used to estimate the AGD for the VOI breast CT technique. Results: The ratios of air kerma ratios and dose measurement results from the Monte Carlo simulation to those from the physical measurements were 0.97 ± 0.03 and 1.10 ± 0.13, respectively, indicating that the accuracy of the Monte Carlo simulation was adequate. The normalized AGD with VOI field scans was substantially reduced by a factor of about 2 over the VOI region and by a factor of 18 over the entire breast for both 25% and 50% VGF simulated breasts compared with the normalized AGD with full field scans. The normalized AGD for the VOI breast CT technique can be kept the same as or lower than that for a full field scan with the exposure level for the VOI field scan increased by a factor of as much as 12. Conclusions: The authors’ Monte Carlo estimates of normalized AGDs for the VOI breast CT technique show that this technique can be used to markedly increase the dose to the breast and thus the visibility of the VOI region without increasing the dose to the breast. The results of this investigation should be helpful for those interested in using VOI breast CT technique to image small calcifications with dose concern.« less

Radiation doses in volume-of-interest breast computed tomography—A Monte Carlo simulation study

PubMed Central

Lai, Chao-Jen; Zhong, Yuncheng; Yi, Ying; Wang, Tianpeng; Shaw, Chris C.

2015-01-01

Purpose: Cone beam breast computed tomography (breast CT) with true three-dimensional, nearly isotropic spatial resolution has been developed and investigated over the past decade to overcome the problem of lesions overlapping with breast anatomical structures on two-dimensional mammographic images. However, the ability of breast CT to detect small objects, such as tissue structure edges and small calcifications, is limited. To resolve this problem, the authors proposed and developed a volume-of-interest (VOI) breast CT technique to image a small VOI using a higher radiation dose to improve that region’s visibility. In this study, the authors performed Monte Carlo simulations to estimate average breast dose and average glandular dose (AGD) for the VOI breast CT technique. Methods: Electron–Gamma-Shower system code-based Monte Carlo codes were used to simulate breast CT. The Monte Carlo codes estimated were validated using physical measurements of air kerma ratios and point doses in phantoms with an ion chamber and optically stimulated luminescence dosimeters. The validated full cone x-ray source was then collimated to simulate half cone beam x-rays to image digital pendant-geometry, hemi-ellipsoidal, homogeneous breast phantoms and to estimate breast doses with full field scans. 13-cm in diameter, 10-cm long hemi-ellipsoidal homogeneous phantoms were used to simulate median breasts. Breast compositions of 25% and 50% volumetric glandular fractions (VGFs) were used to investigate the influence on breast dose. The simulated half cone beam x-rays were then collimated to a narrow x-ray beam with an area of 2.5 × 2.5 cm2 field of view at the isocenter plane and to perform VOI field scans. The Monte Carlo results for the full field scans and the VOI field scans were then used to estimate the AGD for the VOI breast CT technique. Results: The ratios of air kerma ratios and dose measurement results from the Monte Carlo simulation to those from the physical measurements were 0.97 ± 0.03 and 1.10 ± 0.13, respectively, indicating that the accuracy of the Monte Carlo simulation was adequate. The normalized AGD with VOI field scans was substantially reduced by a factor of about 2 over the VOI region and by a factor of 18 over the entire breast for both 25% and 50% VGF simulated breasts compared with the normalized AGD with full field scans. The normalized AGD for the VOI breast CT technique can be kept the same as or lower than that for a full field scan with the exposure level for the VOI field scan increased by a factor of as much as 12. Conclusions: The authors’ Monte Carlo estimates of normalized AGDs for the VOI breast CT technique show that this technique can be used to markedly increase the dose to the breast and thus the visibility of the VOI region without increasing the dose to the breast. The results of this investigation should be helpful for those interested in using VOI breast CT technique to image small calcifications with dose concern. PMID:26127058

Enhanced Thermal Diffusion of Li in Graphite by Alternating Vertical Electric Field: A Hybrid Quantum-Classical Simulation Study

NASA Astrophysics Data System (ADS)

Ohba, Nobuko; Ogata, Shuji; Tamura, Tomoyuki; Kobayashi, Ryo; Yamakawa, Shunsuke; Asahi, Ryoji

2012-02-01

Enhancing the diffusivity of the Li ion in a Li-graphite intercalation compound that has been used as a negative electrode in the Li-ion rechargeable battery, is important in improving both the recharging speed and power of the battery. In the compound, the Li ion creates a long-range stress field around itself by expanding the interlayer spacing of graphite. We advance the hybrid quantum-classical simulation code to include the external electric field in addition to the long-range stress field by first-principles simulation. In the hybrid code, the quantum region selected adaptively around the Li ion is treated using the real-space density-functional theory for electrons. The rest of the system is described with an empirical interatomic potential that includes the term relating to the dispersion force between the C atoms in different layers. Hybrid simulation runs for Li dynamics in graphite are performed at 423 K under various settings of the amplitude and frequency of alternating electric fields perpendicular to C-layers. We find that the in-plane diffusivity of the Li ion is enhanced significantly by the electric field if the amplitude is larger than 0.2 V/Å within its order and the frequency is as high as 1.7 THz. The microscopic mechanisms of the enhancement are explained.

Dynamical Downscaling of NASA/GISS ModelE: Continuous, Multi-Year WRF Simulations

NASA Astrophysics Data System (ADS)

Otte, T.; Bowden, J. H.; Nolte, C. G.; Otte, M. J.; Herwehe, J. A.; Faluvegi, G.; Shindell, D. T.

2010-12-01

The WRF Model is being used at the U.S. EPA for dynamical downscaling of the NASA/GISS ModelE fields to assess regional impacts of climate change in the United States. The WRF model has been successfully linked to the ModelE fields in their raw hybrid vertical coordinate, and continuous, multi-year WRF downscaling simulations have been performed. WRF will be used to downscale decadal time slices of ModelE for recent past, current, and future climate as the simulations being conducted for the IPCC Fifth Assessment Report become available. This presentation will focus on the sensitivity to interior nudging within the RCM. The use of interior nudging for downscaled regional climate simulations has been somewhat controversial over the past several years but has been recently attracting attention. Several recent studies that have used reanalysis (i.e., verifiable) fields as a proxy for GCM input have shown that interior nudging can be beneficial toward achieving the desired downscaled fields. In this study, the value of nudging will be shown using fields from ModelE that are downscaled using WRF. Several different methods of nudging are explored, and it will be shown that the method of nudging and the choices made with respect to how nudging is used in WRF are critical to balance the constraint of ModelE against the freedom of WRF to develop its own fields.

Evaluation of near surface ozone and particulate matter in air quality simulations driven by dynamically downscaled historical meteorological fields

EPA Science Inventory

In this study, techniques typically used for future air quality projections are applied to a historical 11-year period to assess the performance of the modeling system when the driving meteorological conditions are obtained using dynamical downscaling of coarse-scale fields witho...

The AMADEE-15 Mars simulation

NASA Astrophysics Data System (ADS)

Groemer, Gernot; Losiak, Anna; Soucek, Alexander; Plank, Clemens; Zanardini, Laura; Sejkora, Nina; Sams, Sebastian

2016-12-01

We report on the AMADEE-15 mission, a 12-day Mars analog field test at the Kaunertal Glacier in Austria. Eleven experiments were conducted by a field crew at the test site under simulated martian surface exploration conditions and coordinated by a Mission Support Center in Innsbruck, Austria. The experiments' research fields encompassed geology, human factors, astrobiology, robotics, tele-science, exploration, and operations research. A Remote Science Support team analyzed field data in near real time, providing planning input for a flight control team to manage a complex system of field assets in a realistic work flow, including: two advanced space suit simulators; and four robotic and aerial vehicles. Field operations were supported by a dedicated flight planning group, an external control center tele-operating the PULI-rover, and a medical team. A 10-min satellite communication delay and other limitations pertinent to human planetary surface activities were introduced. This paper provides an overview of the geological context and environmental conditions of the test site and the mission architecture, with a focus on the mission's communication infrastructure. We report on the operational workflows and the experiments conducted, as well as a novel approach of measuring mission success through the introduction of general analog mission transferrable performance indicators.

3D MHD Simulations of Laser Plasma Guiding in Curved Magnetic Field

NASA Astrophysics Data System (ADS)

Roupassov, S.; Rankin, R.; Tsui, Y.; Capjack, C.; Fedosejevs, R.

1999-11-01

The guiding and confinement of laser produced plasma in a curved magnetic field has been investigated numerically. These studies were motivated by experiments on pulsed laser deposition of diamond-like films [1] in which a 1kG magnetic field in a curved solenoid geometry was utilized to steer a carbon plasma around a curved trajectory and thus to separate it from unwanted macroparticles produced by the laser ablation. The purpose of the modeling was to characterize the plasma dynamics during the propagation through the magnetic guide field and to investigate the effect of different magnetic field configurations. A 3D curvilinear ADI code developed on the basis of an existing Cartesian code [2] was employed to simulate the underlying resistive one-fluid MHD model. Issues such as large regions of low background density and nonreflective boundary conditions were addressed. Results of the simulations in a curved guide field will be presented and compared to experimental results. [1] Y.Y. Tsui, D. Vick and R. Fedosejevs, Appl. Phys. Lett. 70 (15), pp. 1953-57, 1997. [2] R. Rankin, and I. Voronkov, in "High Performance Computing Systems and Applications", pp. 59-69, Kluwer AP, 1998.

Experimental simulation of the Unruh effect on an NMR quantum simulator

NASA Astrophysics Data System (ADS)

Jin, FangZhou; Chen, HongWei; Rong, Xing; Zhou, Hui; Shi, MingJun; Zhang, Qi; Ju, ChenYong; Cai, YiFu; Luo, ShunLong; Peng, XinHua; Du, JiangFeng

2016-03-01

The Unruh effect is one of the most fundamental manifestations of the fact that the particle content of a field theory is observer dependent. However, there has been so far no experimental verification of this effect, as the associated temperatures lie far below any observable threshold. Recently, physical phenomena, which are of great experimental challenge, have been investigated by quantum simulations in various fields. Here we perform a proof-of-principle simulation of the evolution of fermionic modes under the Unruh effect with a nuclear magnetic resonance (NMR) quantum simulator. By the quantum simulator, we experimentally demonstrate the behavior of Unruh temperature with acceleration, and we further investigate the quantum correlations quantified by quantum discord between two fermionic modes as seen by two relatively accelerated observers. It is shown that the quantum correlations can be created by the Unruh effect from the classically correlated states. Our work may provide a promising way to explore the quantum physics of accelerated systems.

Three Dimensional Hybrid Simulations of Super-Alfvénic Laser Ablation Experiments in the Large Plasma Device

NASA Astrophysics Data System (ADS)

Clark, Stephen; Winske, Dan; Schaeffer, Derek; Everson, Erik; Bondarenko, Anton; Constantin, Carmen; Niemann, Christoph

2014-10-01

We present 3D hybrid simulations of laser produced expanding debris clouds propagating though a magnetized ambient plasma in the context of magnetized collisionless shocks. New results from the 3D code are compared to previously obtained simulation results using a 2D hybrid code. The 3D code is an extension of a previously developed 2D code developed at Los Alamos National Laboratory. It has been parallelized and ported to execute on a cluster environment. The new simulations are used to verify scaling relationships, such as shock onset time and coupling parameter (Rm /ρd), developed via 2D simulations. Previous 2D results focus primarily on laboratory shock formation relevant to experiments being performed on the Large Plasma Device, where the shock propagates across the magnetic field. The new 3D simulations show wave structure and dynamics oblique to the magnetic field that introduce new physics to be considered in future experiments.

Photon small-field measurements with a CMOS active pixel sensor.

PubMed

Spang, F Jiménez; Rosenberg, I; Hedin, E; Royle, G

2015-06-07

In this work the dosimetric performance of CMOS active pixel sensors for the measurement of small photon beams is presented. The detector used consisted of an array of 520  × 520 pixels on a 25 µm pitch. Dosimetric parameters measured with this sensor were compared with data collected with an ionization chamber, a film detector and GEANT4 Monte Carlo simulations. The sensor performance for beam profiles measurements was evaluated for field sizes of 0.5  × 0.5 cm(2). The high spatial resolution achieved with this sensor allowed the accurate measurement of profiles, beam penumbrae and field size under lateral electronic disequilibrium. Field size and penumbrae agreed within 5.4% and 2.2% respectively with film measurements. Agreements with ionization chambers better than 1.0% were obtained when measuring tissue-phantom ratios. Output factor measurements were in good agreement with ionization chamber and Monte Carlo simulation. The data obtained from this imaging sensor can be easily analyzed to extract dosimetric information. The results presented in this work are promising for the development and implementation of CMOS active pixel sensors for dosimetry applications.

Vastly accelerated linear least-squares fitting with numerical optimization for dual-input delay-compensated quantitative liver perfusion mapping.

PubMed

Jafari, Ramin; Chhabra, Shalini; Prince, Martin R; Wang, Yi; Spincemaille, Pascal

2018-04-01

To propose an efficient algorithm to perform dual input compartment modeling for generating perfusion maps in the liver. We implemented whole field-of-view linear least squares (LLS) to fit a delay-compensated dual-input single-compartment model to very high temporal resolution (four frames per second) contrast-enhanced 3D liver data, to calculate kinetic parameter maps. Using simulated data and experimental data in healthy subjects and patients, whole-field LLS was compared with the conventional voxel-wise nonlinear least-squares (NLLS) approach in terms of accuracy, performance, and computation time. Simulations showed good agreement between LLS and NLLS for a range of kinetic parameters. The whole-field LLS method allowed generating liver perfusion maps approximately 160-fold faster than voxel-wise NLLS, while obtaining similar perfusion parameters. Delay-compensated dual-input liver perfusion analysis using whole-field LLS allows generating perfusion maps with a considerable speedup compared with conventional voxel-wise NLLS fitting. Magn Reson Med 79:2415-2421, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

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

Mamaluy, Denis; Gao, Xujiao; Tierney, Brian David

We created a highly efficient, universal 3D quant um transport simulator. We demonstrated that the simulator scales linearly - both with the problem size (N) and number of CPUs, which presents an important break-through in the field of computational nanoelectronics. It allowed us, for the first time, to accurately simulate and optim ize a large number of realistic nanodevices in a much shorter time, when compared to other methods/codes such as RGF[%7EN 2.333 ]/KNIT, KWANT, and QTBM[%7EN 3 ]/NEMO5. In order to determine the best-in-class for different beyond-CMOS paradigms, we performed rigorous device optimization for high-performance logic devices at 6-,more » 5- and 4-nm gate lengths. We have discovered that there exists a fundamental down-scaling limit for CMOS technology and other Field-Effect Transistors (FETs). We have found that, at room temperatures, all FETs, irre spective of their channel material, will start experiencing unacceptable level of thermally induced errors around 5-nm gate lengths.« less

Ab initio folding of proteins using all-atom discrete molecular dynamics

PubMed Central

Ding, Feng; Tsao, Douglas; Nie, Huifen; Dokholyan, Nikolay V.

2008-01-01

Summary Discrete molecular dynamics (DMD) is a rapid sampling method used in protein folding and aggregation studies. Until now, DMD was used to perform simulations of simplified protein models in conjunction with structure-based force fields. Here, we develop an all-atom protein model and a transferable force field featuring packing, solvation, and environment-dependent hydrogen bond interactions. Using the replica exchange method, we perform folding simulations of six small proteins (20–60 residues) with distinct native structures. In all cases, native or near-native states are reached in simulations. For three small proteins, multiple folding transitions are observed and the computationally-characterized thermodynamics are in quantitative agreement with experiments. The predictive power of all-atom DMD highlights the importance of environment-dependent hydrogen bond interactions in modeling protein folding. The developed approach can be used for accurate and rapid sampling of conformational spaces of proteins and protein-protein complexes, and applied to protein engineering and design of protein-protein interactions. PMID:18611374

Tunneling ionization and Wigner transform diagnostics in OSIRIS

NASA Astrophysics Data System (ADS)

Martins, S.; Fonseca, R. A.; Silva, L. O.; Deng, S.; Katsouleas, T.; Tsung, F.; Mori, W. B.

2004-11-01

We describe the ionization module implemented in the PIC code OSIRIS [1]. Benchmarks with previously published tunnel ionization results were made. Our ionization module works in 1D, 2D and 3D simulations with barrier suppression ionization or the ADK ionization model, and allows for moving ions. Several illustrative 3D numerical simulations were performed, namely of the propagation of a SLAC beam in a Li gas cell, for the parameters of [2]. We compare the performance of OSIRIS with/without the ionization module, concluding that much less simulation time is usually required when using the ionization module. A novel diagnostic over the electric field is implemented, the Wigner transform, that provides information on the local spectral content of the field. This diagnostic is applied to the analysis of the chirp induced in an ionizing laser pulse. [1] R. A. Fonseca et al., LNCS 2331, 342-351, (Springer, Heidelberg, 2002). [2] S. Deng et al., Phys. Rev. E 68, 047401 (2003).

High-resolution surface analysis for extended-range downscaling with limited-area atmospheric models

NASA Astrophysics Data System (ADS)

Separovic, Leo; Husain, Syed Zahid; Yu, Wei; Fernig, David

2014-12-01

High-resolution limited-area model (LAM) simulations are frequently employed to downscale coarse-resolution objective analyses over a specified area of the globe using high-resolution computational grids. When LAMs are integrated over extended time frames, from months to years, they are prone to deviations in land surface variables that can be harmful to the quality of the simulated near-surface fields. Nudging of the prognostic surface fields toward a reference-gridded data set is therefore devised in order to prevent the atmospheric model from diverging from the expected values. This paper presents a method to generate high-resolution analyses of land-surface variables, such as surface canopy temperature, soil moisture, and snow conditions, to be used for the relaxation of lower boundary conditions in extended-range LAM simulations. The proposed method is based on performing offline simulations with an external surface model, forced with the near-surface meteorological fields derived from short-range forecast, operational analyses, and observed temperatures and humidity. Results show that the outputs of the surface model obtained in the present study have potential to improve the near-surface atmospheric fields in extended-range LAM integrations.

Numerical investigation of hub clearance flow in a Kaplan turbine

NASA Astrophysics Data System (ADS)

Wu, H.; Feng, J. J.; Wu, G. K.; Luo, X. Q.

2012-11-01

In this paper, the flow field considering the hub clearance flow in a Kaplan turbine has been investigated through using the commercial CFD code ANSYS CFX based on high-quality structured grids generated by ANSYS ICEM CFD. The turbulence is simulated by k-ω based shear stress transport (SST) turbulence model together with automatic near wall treatments. Four kinds of simulations have been conducted for the runner geometry without hub clearance, with only the hub front clearance, with only the rear hub clearance, and with both front and rear clearance. The analysis of the obtained results is focused on the flow structure of the hub clearance flow, the effect on the turbine performance including hydraulic efficiency and cavitation performance, which can improve the understanding on the flow field in a Kaplan turbine.

Study of high breakdown voltage GaN-based current-aperture vertical electron transistor with source-connected field-plates for power applications

NASA Astrophysics Data System (ADS)

Wang, Haiyong; Mao, Wei; Cong, Guanyu; Wang, Xiaofei; Du, Ming; Zheng, Xuefeng; Wang, Chong; Zhang, Jincheng; Hao, Yue

2018-07-01

A GaN-based current-aperture vertical electron transistor with source-connected field-plates (SFP-CAVET) is proposed and investigated by means of two-dimensional simulations. This device is characterized by the source-connected field-plates (SFP) at both sides, which leads to remarkable improvement of breakdown voltage (BV) without degradation of specific on-resistance (R on). Systematic analyses are conducted to reveal the mechanism of the SFP modulation effect on the potential and the electric field distributions and thus the BV improvement. Optimization and design of SFP-CAVET are performed for the maximum BV. Simulation results exhibit a R on of 2.25 mΩ · cm2 and a significantly enhanced BV of 3610 V in SFP-CAVET, indicating an average breakdown electric field of more than 240 V μm‑1. Compared with conventional CAVET, both BV and average breakdown electric field in SFP-CAVET are increased by more than 121% while R on remains unchanged. And the trade-off performance of BV and R on in SFP-CAVET is also better than that in GaN-based CAVET with superjunctions (SJ CAVET). In addition, the fabrication process issues of the proposed SFP-CAVET are also presented and discussed. These results could break a new path to further improve the trade-off performance of BV and R on in GaN-based vertical devices.

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

Ragan, Eric D.; Bowman, Doug A.; Kopper, Regis

Virtual reality training systems are commonly used in a variety of domains, and it is important to understand how the realism of a training simulation influences training effectiveness. The paper presents a framework for evaluating the effects of virtual reality fidelity based on an analysis of a simulation’s display, interaction, and scenario components. Following this framework, we conducted a controlled experiment to test the effects of fidelity on training effectiveness for a visual scanning task. The experiment varied the levels of field of view and visual realism during a training phase and then evaluated scanning performance with the simulator’s highestmore » level of fidelity. To assess scanning performance, we measured target detection and adherence to a prescribed strategy. The results show that both field of view and visual realism significantly affected target detection during training; higher field of view led to better performance and higher visual realism worsened performance. Additionally, the level of visual realism during training significantly affected learning of the prescribed visual scanning strategy, providing evidence that high visual realism was important for learning the technique. The results also demonstrate that task performance during training was not always a sufficient measure of mastery of an instructed technique. That is, if learning a prescribed strategy or skill is the goal of a training exercise, performance in a simulation may not be an appropriate indicator of effectiveness outside of training—evaluation in a more realistic setting may be necessary.« less

U.S. Army Physical Demands Study: Reliability of Simulations of Physically Demanding Tasks Performed by Combat Arms Soldiers.

PubMed

Foulis, Stephen A; Redmond, Jan E; Frykman, Peter N; Warr, Bradley J; Zambraski, Edward J; Sharp, Marilyn A

2017-12-01

Foulis, SA, Redmond, JE, Frykman, PN, Warr, BJ, Zambraski, EJ, and Sharp, MA. U.S. Army physical demands study: reliability of simulations of physically demanding tasks performed by combat arms soldiers. J Strength Cond Res 31(12): 3245-3252, 2017-Recently, the U.S. Army has mandated that soldiers must successfully complete the physically demanding tasks of their job to graduate from their Initial Military Training. Evaluating individual soldiers in the field is difficult; however, simulations of these tasks may aid in the assessment of soldiers' abilities. The purpose of this study was to determine the reliability of simulated physical soldiering tasks relevant to combat arms soldiers. Three cohorts of ∼50 soldiers repeated a subset of 8 simulated tasks 4 times over 2 weeks. Simulations included: sandbag carry, casualty drag, and casualty evacuation from a vehicle turret, move under direct fire, stow ammunition on a tank, load the main gun of a tank, transferring ammunition with a field artillery supply vehicle, and a 4-mile foot march. Reliability was assessed using intraclass correlation coefficients (ICCs), standard errors of measurement (SEMs), and 95% limits of agreement. Performance of the casualty drag and foot march did not improve across trials (p > 0.05), whereas improvements, suggestive of learning effects, were observed on the remaining 6 tasks (p ≤ 0.05). The ICCs ranged from 0.76 to 0.96, and the SEMs ranged from 3 to 16% of the mean. These 8 simulated tasks show high reliability. Given proper practice, they are suitable for evaluating the ability of Combat Arms Soldiers to complete the physical requirements of their jobs.

Near field Rayleigh wave on soft porous layers.

PubMed

Geebelen, N; Boeckx, L; Vermeir, G; Lauriks, W; Allard, J F; Dazel, O

2008-03-01

Simulations performed for a typical semi-infinite reticulated plastic foam saturated by air show that, at distances less than three Rayleigh wavelengths from the area of mechanical excitation by a circular source, the normal frame velocity is close to the Rayleigh pole contribution. Simulated measurements show that a good order of magnitude estimate of the phase speed and damping can be obtained at small distances from the source. Simulations are also performed for layers of finite thickness, where the phase velocity and damping depend on frequency. They indicate that the normal frame velocity at small distances from the source is always close to the Rayleigh pole contribution and that a good order of magnitude estimate of the phase speed of the Rayleigh wave can be obtained at small distances from the source. Furthermore, simulations show that precise measurements of the damping of the Rayleigh wave need larger distances. Measurements performed on a layer of finite thickness confirm these trends.

A combined field and laboratory design for assessing the impact of night shift work on police officer operational performance.

PubMed

Waggoner, Lauren B; Grant, Devon A; Van Dongen, Hans P A; Belenky, Gregory; Vila, Bryan

2012-11-01

This study assessed the utility of a combined field and laboratory research design for measuring the impact of consecutive night shift work on the sleepiness, vigilance, and driving performance of police patrol officers. For police patrol officers working their normal night shift duty cycles, simulated driving performance and psychomotor vigilance were measured in a laboratory on two separate occasions: in the morning after the last of five consecutive 10.7-h night shifts, and at the same time in the morning after three consecutive days off duty. Order of participation in conditions was randomized among subjects. Subjects experienced manipulation of sleep schedules due to working night shifts in a real operational environment, but performance testing was conducted under controlled laboratory conditions. N = 29 active-duty police patrol officers (27 male, 2 female; age 37.1 ± 6.3 years) working night shift schedules participated in this study. Simulated driving performance, psychomotor vigilance, and subjective sleepiness were significantly degraded following 5 consecutive night shifts as compared to 3 consecutive days off duty, indicating that active-duty police officers are susceptible to performance degradation as a consequence of working nights. This combined field and laboratory research design succeeded in bridging the gap between the realism of the operational environment and the control of laboratory performance testing, demonstrating that this is a useful approach for addressing the relationship between shift work induced fatigue and critical operational task performance.

Global three-dimensional simulation of Earth's dayside reconnection using a two-way coupled magnetohydrodynamics with embedded particle-in-cell model: initial results: 3D MHD-EPIC simulation of magnetosphere

DOE PAGES

Chen, Yuxi; Tóth, Gábor; Cassak, Paul; ...

2017-09-18

Here, we perform a three-dimensional (3D) global simulation of Earth's magnetosphere with kinetic reconnection physics to study the flux transfer events (FTEs) and dayside magnetic reconnection with the recently developed magnetohydrodynamics with embedded particle-in-cell model (MHD-EPIC). During the one-hour long simulation, the FTEs are generated quasi-periodically near the subsolar point and move toward the poles. We also find the magnetic field signature of FTEs at their early formation stage is similar to a ‘crater FTE’, which is characterized by a magnetic field strength dip at the FTE center. After the FTE core field grows to a significant value, it becomesmore » an FTE with typical flux rope structure. When an FTE moves across the cusp, reconnection between the FTE field lines and the cusp field lines can dissipate the FTE. The kinetic features are also captured by our model. A crescent electron phase space distribution is found near the reconnection site. A similar distribution is found for ions at the location where the Larmor electric field appears. The lower hybrid drift instability (LHDI) along the current sheet direction also arises at the interface of magnetosheath and magnetosphere plasma. Finally, the LHDI electric field is about 8 mV/m and its dominant wavelength relative to the electron gyroradius agrees reasonably with MMS observations.« less

Global three-dimensional simulation of Earth's dayside reconnection using a two-way coupled magnetohydrodynamics with embedded particle-in-cell model: initial results: 3D MHD-EPIC simulation of magnetosphere

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

Chen, Yuxi; Tóth, Gábor; Cassak, Paul

Here, we perform a three-dimensional (3D) global simulation of Earth's magnetosphere with kinetic reconnection physics to study the flux transfer events (FTEs) and dayside magnetic reconnection with the recently developed magnetohydrodynamics with embedded particle-in-cell model (MHD-EPIC). During the one-hour long simulation, the FTEs are generated quasi-periodically near the subsolar point and move toward the poles. We also find the magnetic field signature of FTEs at their early formation stage is similar to a ‘crater FTE’, which is characterized by a magnetic field strength dip at the FTE center. After the FTE core field grows to a significant value, it becomesmore » an FTE with typical flux rope structure. When an FTE moves across the cusp, reconnection between the FTE field lines and the cusp field lines can dissipate the FTE. The kinetic features are also captured by our model. A crescent electron phase space distribution is found near the reconnection site. A similar distribution is found for ions at the location where the Larmor electric field appears. The lower hybrid drift instability (LHDI) along the current sheet direction also arises at the interface of magnetosheath and magnetosphere plasma. Finally, the LHDI electric field is about 8 mV/m and its dominant wavelength relative to the electron gyroradius agrees reasonably with MMS observations.« less

Principles and Design of a Zeeman–Sisyphus Decelerator for Molecular Beams

PubMed Central

Tarbutt, M. R.

2016-01-01

Abstract We explore a technique for decelerating molecules using a static magnetic field and optical pumping. Molecules travel through a spatially varying magnetic field and are repeatedly pumped into a weak‐field seeking state as they move towards each strong field region, and into a strong‐field seeking state as they move towards weak field. The method is time‐independent and so is suitable for decelerating both pulsed and continuous molecular beams. By using guiding magnets at each weak field region, the beam can be simultaneously guided and decelerated. By tapering the magnetic field strength in the strong field regions, and exploiting the Doppler shift, the velocity distribution can be compressed during deceleration. We develop the principles of this deceleration technique, provide a realistic design, use numerical simulations to evaluate its performance for a beam of CaF, and compare this performance to other deceleration methods. PMID:27629547

Simulation of one-sided heating of boiler unit membrane-type water walls

NASA Astrophysics Data System (ADS)

Kurepin, M. P.; Serbinovskiy, M. Yu.

2017-03-01

This study describes the results of simulation of the temperature field and the stress-strain state of membrane-type gastight water walls of boiler units using the finite element method. The methods of analytical and standard calculation of one-sided heating of fin-tube water walls by a radiative heat flux are analyzed. The methods and software for input data calculation in the finite-element simulation, including thermoelastic moments in welded panels that result from their one-sided heating, are proposed. The method and software modules are used for water wall simulation using ANSYS. The results of simulation of the temperature field, stress field, deformations and displacement of the membrane-type panel for the boiler furnace water wall using the finite-element method, as well as the results of calculation of the panel tube temperature, stresses and deformations using the known methods, are presented. The comparison of the known experimental results on heating and bending by given moments of membrane-type water walls and numerical simulations is performed. It is demonstrated that numerical results agree with high accuracy with the experimental data. The relative temperature difference does not exceed 1%. The relative difference of the experimental fin mutual turning angle caused by one-sided heating by radiative heat flux and the results obtained in the finite element simulation does not exceed 8.5% for nondisplaced fins and 7% for fins with displacement. The same difference for the theoretical results and the simulation using the finite-element method does not exceed 3% and 7.1%, respectively. The proposed method and software modules for simulation of the temperature field and stress-strain state of the water walls are verified and the feasibility of their application in practical design is proven.

Petascale self-consistent electromagnetic computations using scalable and accurate algorithms for complex structures

NASA Astrophysics Data System (ADS)

Cary, John R.; Abell, D.; Amundson, J.; Bruhwiler, D. L.; Busby, R.; Carlsson, J. A.; Dimitrov, D. A.; Kashdan, E.; Messmer, P.; Nieter, C.; Smithe, D. N.; Spentzouris, P.; Stoltz, P.; Trines, R. M.; Wang, H.; Werner, G. R.

2006-09-01

As the size and cost of particle accelerators escalate, high-performance computing plays an increasingly important role; optimization through accurate, detailed computermodeling increases performance and reduces costs. But consequently, computer simulations face enormous challenges. Early approximation methods, such as expansions in distance from the design orbit, were unable to supply detailed accurate results, such as in the computation of wake fields in complex cavities. Since the advent of message-passing supercomputers with thousands of processors, earlier approximations are no longer necessary, and it is now possible to compute wake fields, the effects of dampers, and self-consistent dynamics in cavities accurately. In this environment, the focus has shifted towards the development and implementation of algorithms that scale to large numbers of processors. So-called charge-conserving algorithms evolve the electromagnetic fields without the need for any global solves (which are difficult to scale up to many processors). Using cut-cell (or embedded) boundaries, these algorithms can simulate the fields in complex accelerator cavities with curved walls. New implicit algorithms, which are stable for any time-step, conserve charge as well, allowing faster simulation of structures with details small compared to the characteristic wavelength. These algorithmic and computational advances have been implemented in the VORPAL7 Framework, a flexible, object-oriented, massively parallel computational application that allows run-time assembly of algorithms and objects, thus composing an application on the fly.

Phase field model of fluid-driven fracture in elastic media: Immersed-fracture formulation and validation with analytical solutions

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

Santillán, David; Juanes, Ruben; Cueto-Felgueroso, Luis

Propagation of fluid-driven fractures plays an important role in natural and engineering processes, including transport of magma in the lithosphere, geologic sequestration of carbon dioxide, and oil and gas recovery from low-permeability formations, among many others. The simulation of fracture propagation poses a computational challenge as a result of the complex physics of fracture and the need to capture disparate length scales. Phase field models represent fractures as a diffuse interface and enjoy the advantage that fracture nucleation, propagation, branching, or twisting can be simulated without ad hoc computational strategies like remeshing or local enrichment of the solution space. Heremore » we propose a new quasi-static phase field formulation for modeling fluid-driven fracturing in elastic media at small strains. The approach fully couples the fluid flow in the fracture (described via the Reynolds lubrication approximation) and the deformation of the surrounding medium. The flow is solved on a lower dimensionality mesh immersed in the elastic medium. This approach leads to accurate coupling of both physics. We assessed the performance of the model extensively by comparing results for the evolution of fracture length, aperture, and fracture fluid pressure against analytical solutions under different fracture propagation regimes. Thus, the excellent performance of the numerical model in all regimes builds confidence in the applicability of phase field approaches to simulate fluid-driven fracture.« less

Studies of the flow and turbulence fields in a turbulent pulsed jet flame using LES/PDF

NASA Astrophysics Data System (ADS)

Zhang, Pei; Masri, Assaad R.; Wang, Haifeng

2017-09-01

A turbulent piloted jet flame subject to a rapid velocity pulse in its fuel jet inflow is proposed as a new benchmark case for the study of turbulent combustion models. In this work, we perform modelling studies of this turbulent pulsed jet flame and focus on the predictions of its flow and turbulence fields. An advanced modelling strategy combining the large eddy simulation (LES) and the probability density function (PDF) methods is employed to model the turbulent pulsed jet flame. Characteristics of the velocity measurements are analysed to produce a time-dependent inflow condition that can be fed into the simulations. The effect of the uncertainty in the inflow turbulence intensity is investigated and is found to be very small. A method of specifying the inflow turbulence boundary condition for the simulations of the pulsed jet flame is assessed. The strategies for validating LES of statistically transient flames are discussed, and a new framework is developed consisting of different averaging strategies and a bootstrap method for constructing confidence intervals. Parametric studies are performed to examine the sensitivity of the predictions of the flow and turbulence fields to model and numerical parameters. A direct comparison of the predicted and measured time series of the axial velocity demonstrates a satisfactory prediction of the flow and turbulence fields of the pulsed jet flame by the employed modelling methods.

Phase field model of fluid-driven fracture in elastic media: Immersed-fracture formulation and validation with analytical solutions

DOE PAGES

Santillán, David; Juanes, Ruben; Cueto-Felgueroso, Luis

2017-04-20

Propagation of fluid-driven fractures plays an important role in natural and engineering processes, including transport of magma in the lithosphere, geologic sequestration of carbon dioxide, and oil and gas recovery from low-permeability formations, among many others. The simulation of fracture propagation poses a computational challenge as a result of the complex physics of fracture and the need to capture disparate length scales. Phase field models represent fractures as a diffuse interface and enjoy the advantage that fracture nucleation, propagation, branching, or twisting can be simulated without ad hoc computational strategies like remeshing or local enrichment of the solution space. Heremore » we propose a new quasi-static phase field formulation for modeling fluid-driven fracturing in elastic media at small strains. The approach fully couples the fluid flow in the fracture (described via the Reynolds lubrication approximation) and the deformation of the surrounding medium. The flow is solved on a lower dimensionality mesh immersed in the elastic medium. This approach leads to accurate coupling of both physics. We assessed the performance of the model extensively by comparing results for the evolution of fracture length, aperture, and fracture fluid pressure against analytical solutions under different fracture propagation regimes. Thus, the excellent performance of the numerical model in all regimes builds confidence in the applicability of phase field approaches to simulate fluid-driven fracture.« less

Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction.

PubMed

Müller, Knut; Krause, Florian F; Béché, Armand; Schowalter, Marco; Galioit, Vincent; Löffler, Stefan; Verbeeck, Johan; Zweck, Josef; Schattschneider, Peter; Rosenauer, Andreas

2014-12-15

By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field-induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright-field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms.

Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction

NASA Astrophysics Data System (ADS)

Müller, Knut; Krause, Florian F.; Béché, Armand; Schowalter, Marco; Galioit, Vincent; Löffler, Stefan; Verbeeck, Johan; Zweck, Josef; Schattschneider, Peter; Rosenauer, Andreas

2014-12-01

By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field-induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright-field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms.

Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction

PubMed Central

Müller, Knut; Krause, Florian F.; Béché, Armand; Schowalter, Marco; Galioit, Vincent; Löffler, Stefan; Verbeeck, Johan; Zweck, Josef; Schattschneider, Peter; Rosenauer, Andreas

2014-01-01

By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field-induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright-field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms. PMID:25501385

Internal Wave Impact on the Performance of a Hypothetical Mine Hunting Sonar

DTIC Science & Technology

2014-10-01

time steps) to simulate the propagation of the internal wave field through the mine field. Again the transmission loss and acoustic signal strength...dependent internal wave perturbed sound speed profile was evaluated by calculating the temporal variability of the signal excess (SE) of acoustic...internal wave perturbation of the sound speed profile, was calculated for a limited sound speed field time section. Acoustic signals were projected

Assessing sorbent injection mercury control effectiveness in flue gas streams

USGS Publications Warehouse

Carey, T.R.; Richardson, C.F.; Chang, R.; Meserole, F.B.; Rostam-Abadi, M.; Chen, S.

2000-01-01

One promising approach for removing mercury from coal-fired, utility flue gas involves the direct injection of mercury sorbents. Although this method has been effective at removing mercury in municipal waste incinerators, tests conducted to date on utility coal-fired boilers show that mercury removal is much more difficult in utility flue gas. EPRI is conducting research to investigate mercury removal using sorbents in this application. Bench-scale, pilot-scale, and field tests have been conducted to determine the ability of different sorbents to remove mercury in simulated and actual flue gas streams. This paper focuses on recent bench-scale and field test results evaluating the adsorption characteristics of activated carbon and fly ash and the use of these results to develop a predictive mercury removal model. Field tests with activated carbon show that adsorption characteristics measured in the lab agree reasonably well with characteristics measured in the field. However, more laboratory and field data will be needed to identify other gas phase components which may impact performance. This will allow laboratory tests to better simulate field conditions and provide improved estimates of sorbent performance for specific sites. In addition to activated carbon results, bench-scale and modeling results using fly ash are presented which suggest that certain fly ashes are capable of adsorbing mercury.

Coupling of Large Eddy Simulations with Meteorological Models to simulate Methane Leaks from Natural Gas Storage Facilities

NASA Astrophysics Data System (ADS)

Prasad, K.

2017-12-01

Atmospheric transport is usually performed with weather models, e.g., the Weather Research and Forecasting (WRF) model that employs a parameterized turbulence model and does not resolve the fine scale dynamics generated by the flow around buildings and features comprising a large city. The NIST Fire Dynamics Simulator (FDS) is a computational fluid dynamics model that utilizes large eddy simulation methods to model flow around buildings at length scales much smaller than is practical with models like WRF. FDS has the potential to evaluate the impact of complex topography on near-field dispersion and mixing that is difficult to simulate with a mesoscale atmospheric model. A methodology has been developed to couple the FDS model with WRF mesoscale transport models. The coupling is based on nudging the FDS flow field towards that computed by WRF, and is currently limited to one way coupling performed in an off-line mode. This approach allows the FDS model to operate as a sub-grid scale model with in a WRF simulation. To test and validate the coupled FDS - WRF model, the methane leak from the Aliso Canyon underground storage facility was simulated. Large eddy simulations were performed over the complex topography of various natural gas storage facilities including Aliso Canyon, Honor Rancho and MacDonald Island at 10 m horizontal and vertical resolution. The goal of these simulations included improving and validating transport models as well as testing leak hypotheses. Forward simulation results were compared with aircraft and tower based in-situ measurements as well as methane plumes observed using the NASA Airborne Visible InfraRed Imaging Spectrometer (AVIRIS) and the next generation instrument AVIRIS-NG. Comparison of simulation results with measurement data demonstrate the capability of the coupled FDS-WRF models to accurately simulate the transport and dispersion of methane plumes over urban domains. Simulated integrated methane enhancements will be presented and compared with results obtained from spectrometer data to estimate the temporally evolving methane flux during the Aliso Canyon blowout.

Issues for Simulation of Galactic Cosmic Ray Exposures for Radiobiological Research at Ground-Based Accelerators

PubMed Central

Kim, Myung-Hee Y.; Rusek, Adam; Cucinotta, Francis A.

2015-01-01

For radiobiology research on the health risks of galactic cosmic rays (GCR) ground-based accelerators have been used with mono-energetic beams of single high charge, Z and energy, E (HZE) particles. In this paper, we consider the pros and cons of a GCR reference field at a particle accelerator. At the NASA Space Radiation Laboratory (NSRL), we have proposed a GCR simulator, which implements a new rapid switching mode and higher energy beam extraction to 1.5 GeV/u, in order to integrate multiple ions into a single simulation within hours or longer for chronic exposures. After considering the GCR environment and energy limitations of NSRL, we performed extensive simulation studies using the stochastic transport code, GERMcode (GCR Event Risk Model) to define a GCR reference field using 9 HZE particle beam–energy combinations each with a unique absorber thickness to provide fragmentation and 10 or more energies of proton and 4He beams. The reference field is shown to well represent the charge dependence of GCR dose in several energy bins behind shielding compared to a simulated GCR environment. However, a more significant challenge for space radiobiology research is to consider chronic GCR exposure of up to 3 years in relation to simulations with animal models of human risks. We discuss issues in approaches to map important biological time scales in experimental models using ground-based simulation, with extended exposure of up to a few weeks using chronic or fractionation exposures. A kinetics model of HZE particle hit probabilities suggests that experimental simulations of several weeks will be needed to avoid high fluence rate artifacts, which places limitations on the experiments to be performed. Ultimately risk estimates are limited by theoretical understanding, and focus on improving knowledge of mechanisms and development of experimental models to improve this understanding should remain the highest priority for space radiobiology research. PMID:26090339

Multimillion atom simulations of dynamics of oxidation of an aluminum nanoparticle and nanoindentation on ceramics.

PubMed

Vashishta, Priya; Kalia, Rajiv K; Nakano, Aiichiro

2006-03-02

We have developed a first-principles-based hierarchical simulation framework, which seamlessly integrates (1) a quantum mechanical description based on the density functional theory (DFT), (2) multilevel molecular dynamics (MD) simulations based on a reactive force field (ReaxFF) that describes chemical reactions and polarization, a nonreactive force field that employs dynamic atomic charges, and an effective force field (EFF), and (3) an atomistically informed continuum model to reach macroscopic length scales. For scalable hierarchical simulations, we have developed parallel linear-scaling algorithms for (1) DFT calculation based on a divide-and-conquer algorithm on adaptive multigrids, (2) chemically reactive MD based on a fast ReaxFF (F-ReaxFF) algorithm, and (3) EFF-MD based on a space-time multiresolution MD (MRMD) algorithm. On 1920 Intel Itanium2 processors, we have demonstrated 1.4 million atom (0.12 trillion grid points) DFT, 0.56 billion atom F-ReaxFF, and 18.9 billion atom MRMD calculations, with parallel efficiency as high as 0.953. Through the use of these algorithms, multimillion atom MD simulations have been performed to study the oxidation of an aluminum nanoparticle. Structural and dynamic correlations in the oxide region are calculated as well as the evolution of charges, surface oxide thickness, diffusivities of atoms, and local stresses. In the microcanonical ensemble, the oxidizing reaction becomes explosive in both molecular and atomic oxygen environments, due to the enormous energy release associated with Al-O bonding. In the canonical ensemble, an amorphous oxide layer of a thickness of approximately 40 angstroms is formed after 466 ps, in good agreement with experiments. Simulations have been performed to study nanoindentation on crystalline, amorphous, and nanocrystalline silicon nitride and silicon carbide. Simulation on nanocrystalline silicon carbide reveals unusual deformation mechanisms in brittle nanophase materials, due to coexistence of brittle grains and soft amorphous-like grain boundary phases. Simulations predict a crossover from intergranular continuous deformation to intragrain discrete deformation at a critical indentation depth.

Simulations of Magnetic Fields in Tidally Disrupted Stars

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

Guillochon, James; McCourt, Michael, E-mail: jguillochon@cfa.harvard.edu

2017-01-10

We perform the first magnetohydrodynamical simulations of tidal disruptions of stars by supermassive black holes. We consider stars with both tangled and ordered magnetic fields, for both grazing and deeply disruptive encounters. When the star survives disruption, we find its magnetic field amplifies by a factor of up to 20, but see no evidence for a self-sustaining dynamo that would yield arbitrary field growth. For stars that do not survive, and within the tidal debris streams produced in partial disruptions, we find that the component of the magnetic field parallel to the direction of stretching along the debris stream onlymore » decreases slightly with time, eventually resulting in a stream where the magnetic pressure is in equipartition with the gas. Our results suggest that the returning gas in most (if not all) stellar tidal disruptions is already highly magnetized by the time it returns to the black hole.« less

An efficient impedance method for induced field evaluation based on a stabilized Bi-conjugate gradient algorithm.

PubMed

Wang, Hua; Liu, Feng; Xia, Ling; Crozier, Stuart

2008-11-21

This paper presents a stabilized Bi-conjugate gradient algorithm (BiCGstab) that can significantly improve the performance of the impedance method, which has been widely applied to model low-frequency field induction phenomena in voxel phantoms. The improved impedance method offers remarkable computational advantages in terms of convergence performance and memory consumption over the conventional, successive over-relaxation (SOR)-based algorithm. The scheme has been validated against other numerical/analytical solutions on a lossy, multilayered sphere phantom excited by an ideal coil loop. To demonstrate the computational performance and application capability of the developed algorithm, the induced fields inside a human phantom due to a low-frequency hyperthermia device is evaluated. The simulation results show the numerical accuracy and superior performance of the method.

Piloting Augmented Reality Technology to Enhance Realism in Clinical Simulation.

PubMed

Vaughn, Jacqueline; Lister, Michael; Shaw, Ryan J

2016-09-01

We describe a pilot study that incorporated an innovative hybrid simulation designed to increase the perception of realism in a high-fidelity simulation. Prelicensure students (N = 12) cared for a manikin in a simulation lab scenario wearing Google Glass, a wearable head device that projected video into the students' field of vision. Students reported that the simulation gave them confidence that they were developing skills and knowledge to perform necessary tasks in a clinical setting and that they met the learning objectives of the simulation. The video combined visual images and cues seen in a real patient and created a sense of realism the manikin alone could not provide.

Analysis of Developing Gas/liquid Two-Phase Flows

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

Elena A. Tselishcheva; Michael Z. Podowski; Steven P. Antal

The goal of this work is to develop a mechanistically based CFD model that can be used to simulate process equipment operating in the churn-turbulent regime. The simulations were performed using a state-of-the-art computational multiphase fluid dynamics code, NPHASE–CMFD [Antal et al,2000]. A complete four-field model, including the continuous liquid field and three dispersed gas fields representing bubbles of different sizes, was first carefully tested for numerical convergence and accuracy, and then used to reproduce the experimental results from the TOPFLOW test facility at Forschungszentrum Dresden-Rossendorf e.V. Institute of Safety Research [Prasser et al,2007]. Good progress has been made inmore » simulating the churn-turbulent flows and comparison the NPHASE-CMFD simulations with TOPFLOW experimental data. The main objective of the paper is to demonstrate capability to predict the evolution of adiabatic churn-turbulent gas/liquid flows. The proposed modelling concept uses transport equations for the continuous liquid field and for dispersed bubble fields [Tselishcheva et al, 2009]. Along with closure laws based on interaction between bubbles and continuous liquid, the effect of height on air density has been included in the model. The figure below presents the developing flow results of the study, namely total void fraction at different axial locations along the TOPFLOW facility test section. The complete model description, as well as results of simulations and validation will be presented in the full paper.« less

Semi-Autonomous Small Unmanned Aircraft Systems for Sampling Tornadic Supercell Thunderstorms

NASA Astrophysics Data System (ADS)

Elston, Jack S.

This work describes the development of a network-centric unmanned aircraft system (UAS) for in situ sampling of supercell thunderstorms. UAS have been identified as a well-suited platform for meteorological observations given their portability, endurance, and ability to mitigate atmospheric disturbances. They represent a unique tool for performing targeted sampling in regions of a supercell thunderstorm previously unreachable through other methods. Doppler radar can provide unique measurements of the wind field in and around supercell thunderstorms. In order to exploit this capability, a planner was developed that can optimize ingress trajectories for severe storm penetration. The resulting trajectories were examined to determine the feasibility of such a mission, and to optimize ingress in terms of flight time and exposure to precipitation. A network-centric architecture was developed to handle the large amount of distributed data produced during a storm sampling mission. Creation of this architecture was performed through a bottom-up design approach which reflects and enhances the interplay between networked communication and autonomous aircraft operation. The advantages of the approach are demonstrated through several field and hardware-in-the-loop experiments containing different hardware, networking protocols, and objectives. Results are provided from field experiments involving the resulting network-centric architecture. An airmass boundary was sampled in the Collaborative Colorado Nebraska Unmanned Aircraft Experiment (CoCoNUE). Utilizing lessons learned from CoCoNUE, a new concept of operations (CONOPS) and UAS were developed to perform in situ sampling of supercell thunderstorms. Deployment during the Verification of the Origins of Rotation in Tornadoes Experiment 2 (VORTEX2) resulted in the first ever sampling of the airmass associated with the rear flank downdraft of a tornadic supercell thunderstorm by a UAS. Hardware-in-the-loop simulation capability was added to the UAS to enable further assessment of the system and CONOPS. The simulation combines a full six degree-of-freedom aircraft dynamic model with wind and precipitation data from simulations of severe convective storms. Interfaces were written to involve as much of the system's field hardware as possible, including the creation of a simulated radar product server. A variety of simulations were conducted to evaluate different aspects of the CONOPS used for the 2010 VORTEX2 field campaign.

Toward Development of a Stochastic Wake Model: Validation Using LES and Turbine Loads

DOE PAGES

Moon, Jae; Manuel, Lance; Churchfield, Matthew; ...

2017-12-28

Wind turbines within an array do not experience free-stream undisturbed flow fields. Rather, the flow fields on internal turbines are influenced by wakes generated by upwind unit and exhibit different dynamic characteristics relative to the free stream. The International Electrotechnical Commission (IEC) standard 61400-1 for the design of wind turbines only considers a deterministic wake model for the design of a wind plant. This study is focused on the development of a stochastic model for waked wind fields. First, high-fidelity physics-based waked wind velocity fields are generated using Large-Eddy Simulation (LES). Stochastic characteristics of these LES waked wind velocity field,more » including mean and turbulence components, are analyzed. Wake-related mean and turbulence field-related parameters are then estimated for use with a stochastic model, using Multivariate Multiple Linear Regression (MMLR) with the LES data. To validate the simulated wind fields based on the stochastic model, wind turbine tower and blade loads are generated using aeroelastic simulation for utility-scale wind turbine models and compared with those based directly on the LES inflow. The study's overall objective is to offer efficient and validated stochastic approaches that are computationally tractable for assessing the performance and loads of turbines operating in wakes.« less

Toward Development of a Stochastic Wake Model: Validation Using LES and Turbine Loads

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

Moon, Jae; Manuel, Lance; Churchfield, Matthew

Wind turbines within an array do not experience free-stream undisturbed flow fields. Rather, the flow fields on internal turbines are influenced by wakes generated by upwind unit and exhibit different dynamic characteristics relative to the free stream. The International Electrotechnical Commission (IEC) standard 61400-1 for the design of wind turbines only considers a deterministic wake model for the design of a wind plant. This study is focused on the development of a stochastic model for waked wind fields. First, high-fidelity physics-based waked wind velocity fields are generated using Large-Eddy Simulation (LES). Stochastic characteristics of these LES waked wind velocity field,more » including mean and turbulence components, are analyzed. Wake-related mean and turbulence field-related parameters are then estimated for use with a stochastic model, using Multivariate Multiple Linear Regression (MMLR) with the LES data. To validate the simulated wind fields based on the stochastic model, wind turbine tower and blade loads are generated using aeroelastic simulation for utility-scale wind turbine models and compared with those based directly on the LES inflow. The study's overall objective is to offer efficient and validated stochastic approaches that are computationally tractable for assessing the performance and loads of turbines operating in wakes.« less

Report Viewgraphs for IC project: Fully-coupled climate simulations with an eddy-permitting ocean component

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

Veneziani, Carmela

Two sets of simulations were performed within this allocation: 1) a 12-year fully-coupled experiment in preindustrial conditions, using the CICE4 version of the sea-ice model; 2) a set of multi-decadal ocean-ice-only experiments, forced with CORE-I atmospheric fields and using the CICE5 version of the sea-ice model. Results from simulation 1) are presented in Figures 1-3, and specific results from a simulation in 2) with tracer releases are presented in Figure 4.

GATE Monte Carlo simulations for variations of an integrated PET/MR hybrid imaging system based on the Biograph mMR model

NASA Astrophysics Data System (ADS)

Aklan, B.; Jakoby, B. W.; Watson, C. C.; Braun, H.; Ritt, P.; Quick, H. H.

2015-06-01

A simulation toolkit, GATE (Geant4 Application for Tomographic Emission), was used to develop an accurate Monte Carlo (MC) simulation of a fully integrated 3T PET/MR hybrid imaging system (Siemens Biograph mMR). The PET/MR components of the Biograph mMR were simulated in order to allow a detailed study of variations of the system design on the PET performance, which are not easy to access and measure on a real PET/MR system. The 3T static magnetic field of the MR system was taken into account in all Monte Carlo simulations. The validation of the MC model was carried out against actual measurements performed on the PET/MR system by following the NEMA (National Electrical Manufacturers Association) NU 2-2007 standard. The comparison of simulated and experimental performance measurements included spatial resolution, sensitivity, scatter fraction, and count rate capability. The validated system model was then used for two different applications. The first application focused on investigating the effect of an extension of the PET field-of-view on the PET performance of the PET/MR system. The second application deals with simulating a modified system timing resolution and coincidence time window of the PET detector electronics in order to simulate time-of-flight (TOF) PET detection. A dedicated phantom was modeled to investigate the impact of TOF on overall PET image quality. Simulation results showed that the overall divergence between simulated and measured data was found to be less than 10%. Varying the detector geometry showed that the system sensitivity and noise equivalent count rate of the PET/MR system increased progressively with an increasing number of axial detector block rings, as to be expected. TOF-based PET reconstructions of the modeled phantom showed an improvement in signal-to-noise ratio and image contrast to the conventional non-TOF PET reconstructions. In conclusion, the validated MC simulation model of an integrated PET/MR system with an overall accuracy error of less than 10% can now be used for further MC simulation applications such as development of hardware components as well as for testing of new PET/MR software algorithms, such as assessment of point-spread function-based reconstruction algorithms.

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.

SQUIDs vs. Induction Coils for Ultra-Low Field Nuclear Magnetic Resonance: Experimental and Simulation Comparison

PubMed Central

Matlashov, Andrei N.; Schultz, Larry J.; Espy, Michelle A.; Kraus, Robert H.; Savukov, Igor M.; Volegov, Petr L.; Wurden, Caroline J.

2011-01-01

Nuclear magnetic resonance (NMR) is widely used in medicine, chemistry and industry. One application area is magnetic resonance imaging (MRI). Recently it has become possible to perform NMR and MRI in the ultra-low field (ULF) regime requiring measurement field strengths of the order of only 1 Gauss. This technique exploits the advantages offered by superconducting quantum interference devices or SQUIDs. Our group has built SQUID based MRI systems for brain imaging and for liquid explosives detection at airport security checkpoints. The requirement for liquid helium cooling limits potential applications of ULF MRI for liquid identification and security purposes. Our experimental comparative investigation shows that room temperature inductive magnetometers may provide enough sensitivity in the 3–10 kHz range and can be used for fast liquid explosives detection based on ULF NMR technique. We describe experimental and computer-simulation results comparing multichannel SQUID based and induction coils based instruments that are capable of performing ULF MRI for liquid identification. PMID:21747638

Development of a Geant4 application to characterise a prototype neutron detector based on three orthogonal 3He tubes inside an HDPE sphere.

PubMed

Gracanin, V; Guatelli, S; Prokopovich, D; Rosenfeld, A B; Berry, A

2017-01-01

The Bonner Sphere Spectrometer (BSS) system is a well-established technique for neutron dosimetry that involves detection of thermal neutrons within a range of hydrogenous moderators. BSS detectors are often used to perform neutron field surveys in order to determine the ambient dose equivalent H*(10) and estimate health risk to personnel. There is a potential limitation of existing neutron survey techniques, since some detectors do not consider the direction of the neutron field, which can result in overly conservative estimates of dose in neutron fields. This paper shows the development of a Geant4 simulation application to characterise a prototype neutron detector based on three orthogonal 3 He tubes inside a single HDPE sphere built at the Australian Nuclear Science and Technology Organisation (ANSTO). The Geant4 simulation has been validated with respect to experimental measurements performed with an Am-Be source. Crown Copyright © 2016. Published by Elsevier Ltd. All rights reserved.

Seeking Global Minima

NASA Astrophysics Data System (ADS)

Tajuddin, Wan Ahmad

1994-02-01

Ease in finding the configuration at the global energy minimum in a symmetric neural network is important for combinatorial optimization problems. We carry out a comprehensive survey of available strategies for seeking global minima by comparing their performances in the binary representation problem. We recall our previous comparison of steepest descent with analog dynamics, genetic hill-climbing, simulated diffusion, simulated annealing, threshold accepting and simulated tunneling. To this, we add comparisons to other strategies including taboo search and one with field-ordered updating.

Simulation of Optical Resonators for Vertical-Cavity Surface-Emitting Lasers (vcsel)

NASA Astrophysics Data System (ADS)

Mansour, Mohy S.; Hassen, Mahmoud F. M.; El-Nozahey, Adel M.; Hafez, Alaa S.; Metry, Samer F.

2010-04-01

Simulation and modeling of the reflectivity and transmissivity of the multilayer DBR of VCSEL, as well as inside the active region quantum well are analyzed using the characteristic matrix method. The electric field intensity distributions inside such vertical-cavity structure are calculated. A software program under MATLAB environment is constructed for the simulation. This study was performed for two specific Bragg wavelengths 980 nm and 370 nm for achieving a resonant periodic gain (RPG)

Absolute binding free energy calculations of CBClip host–guest systems in the SAMPL5 blind challenge

PubMed Central

Tofoleanu, Florentina; Pickard, Frank C.; König, Gerhard; Huang, Jing; Damjanović, Ana; Baek, Minkyung; Seok, Chaok; Brooks, Bernard R.

2016-01-01

Herein, we report the absolute binding free energy calculations of CBClip complexes in the SAMPL5 blind challenge. Initial conformations of CBClip complexes were obtained using docking and molecular dynamics simulations. Free energy calculations were performed using thermodynamic integration (TI) with soft-core potentials and Bennett’s acceptance ratio (BAR) method based on a serial insertion scheme. We compared the results obtained with TI simulations with soft-core potentials and Hamiltonian replica exchange simulations with the serial insertion method combined with the BAR method. The results show that the difference between the two methods can be mainly attributed to the van der Waals free energies, suggesting that either the simulations used for TI or the simulations used for BAR, or both are not fully converged and the two sets of simulations may have sampled difference phase space regions. The penalty scores of force field parameters of the 10 guest molecules provided by CHARMM Generalized Force Field can be an indicator of the accuracy of binding free energy calculations. Among our submissions, the combination of docking and TI performed best, which yielded the root mean square deviation of 2.94 kcal/mol and an average unsigned error of 3.41 kcal/mol for the ten guest molecules. These values were best overall among all participants. However, our submissions had little correlation with experiments. PMID:27677749

A novel method of multi-scale simulation of macro-scale deformation and microstructure evolution on metal forming

NASA Astrophysics Data System (ADS)

Huang, Shiquan; Yi, Youping; Li, Pengchuan

2011-05-01

In recent years, multi-scale simulation technique of metal forming is gaining significant attention for prediction of the whole deformation process and microstructure evolution of product. The advances of numerical simulation at macro-scale level on metal forming are remarkable and the commercial FEM software, such as Deform2D/3D, has found a wide application in the fields of metal forming. However, the simulation method of multi-scale has little application due to the non-linearity of microstructure evolution during forming and the difficulty of modeling at the micro-scale level. This work deals with the modeling of microstructure evolution and a new method of multi-scale simulation in forging process. The aviation material 7050 aluminum alloy has been used as example for modeling of microstructure evolution. The corresponding thermal simulated experiment has been performed on Gleeble 1500 machine. The tested specimens have been analyzed for modeling of dislocation density, nucleation and growth of recrystallization(DRX). The source program using cellular automaton (CA) method has been developed to simulate the grain nucleation and growth, in which the change of grain topology structure caused by the metal deformation was considered. The physical fields at macro-scale level such as temperature field, stress and strain fields, which can be obtained by commercial software Deform 3D, are coupled with the deformed storage energy at micro-scale level by dislocation model to realize the multi-scale simulation. This method was explained by forging process simulation of the aircraft wheel hub forging. Coupled the results of Deform 3D with CA results, the forging deformation progress and the microstructure evolution at any point of forging could be simulated. For verifying the efficiency of simulation, experiments of aircraft wheel hub forging have been done in the laboratory and the comparison of simulation and experiment result has been discussed in details.

GPU-based Green's function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models.

PubMed

Yang, Yiqun; Urban, Matthew W; McGough, Robert J

2018-05-15

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green's functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green's function approach are ideally suited for high-performance GPUs.

Performance simulation of a grid connected photovoltaic power system using TRNSYS 17

NASA Astrophysics Data System (ADS)

Raja Sekhar, Y.; Ganesh, D.; Kumar, A. Suresh; Abraham, Raju; Padmanathan, P.

2017-11-01

Energy plays an important role in a country’s economic growth in the current energy scenario, the major problem is depletion of energy sources (non-renewable) are more than being formed. One of the prominent solutions is minimizing the use of fossil fuels by utilization of renewable energy resources. A photovoltaic system is an efficient option in terms of utilizing the solar energy resource. The electricity output produced by the photovoltaic systems depends upon the incident solar radiation. This paper examines the performance simulation of 200KW photovoltaic power system at VIT University, Vellore. The main objective of this paper is to correlate the results between the predicted simulation data and the experimental data. The simulation tool used here is TRNSYS. Using TRNSYS modelling prediction of electricity produced throughout the year can be calculated with the help of TRNSYS weather station. The deviation of the simulated results with the experimented results varies due to the choice of weather station. Results from the field test and simulation results are to be correlated to attain the maximum performance of the system.

Physiological Based Simulator Fidelity Design Guidance

NASA Technical Reports Server (NTRS)

Schnell, Thomas; Hamel, Nancy; Postnikov, Alex; Hoke, Jaclyn; McLean, Angus L. M. Thom, III

2012-01-01

The evolution of the role of flight simulation has reinforced assumptions in aviation that the degree of realism in a simulation system directly correlates to the training benefit, i.e., more fidelity is always better. The construct of fidelity has several dimensions, including physical fidelity, functional fidelity, and cognitive fidelity. Interaction of different fidelity dimensions has an impact on trainee immersion, presence, and transfer of training. This paper discusses research results of a recent study that investigated if physiological-based methods could be used to determine the required level of simulator fidelity. Pilots performed a relatively complex flight task consisting of mission task elements of various levels of difficulty in a fixed base flight simulator and a real fighter jet trainer aircraft. Flight runs were performed using one forward visual channel of 40 deg. field of view for the lowest level of fidelity, 120 deg. field of view for the middle level of fidelity, and unrestricted field of view and full dynamic acceleration in the real airplane. Neuro-cognitive and physiological measures were collected under these conditions using the Cognitive Avionics Tool Set (CATS) and nonlinear closed form models for workload prediction were generated based on these data for the various mission task elements. One finding of the work described herein is that simple heart rate is a relatively good predictor of cognitive workload, even for short tasks with dynamic changes in cognitive loading. Additionally, we found that models that used a wide range of physiological and neuro-cognitive measures can further boost the accuracy of the workload prediction.

Examiner Assessments of Clinical Performance: What Do They Tell Us About Clinical Competence?

ERIC Educational Resources Information Center

Maatsch, Jack L.

1987-01-01

This paper presents and interprets examiner and participant performance data obtained from an experimental field test of the test item and case simulation libraries of the American Board of Emergency Medicine Specialty Certificate Examination. Subjects were 94 medical students, residents, and emergency physicians. (Author/LMO)

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

A new method of field MRTD test

NASA Astrophysics Data System (ADS)

Chen, Zhibin; Song, Yan; Liu, Xianhong; Xiao, Wenjian

2014-09-01

MRTD is an important indicator to measure the imaging performance of infrared camera. In the traditional laboratory test, blackbody is used as simulated heat source which is not only expensive and bulky but also difficult to meet field testing requirements of online automatic infrared camera MRTD. To solve this problem, this paper introduces a new detection device for MRTD, which uses LED as a simulation heat source and branded plated zinc sulfide glass carved four-bar target as a simulation target. By using high temperature adaptability cassegrain collimation system, the target is simulated to be distance-infinite so that it can be observed by the human eyes to complete the subjective test, or collected to complete objective measurement by image processing. This method will use LED to replace blackbody. The color temperature of LED is calibrated by thermal imager, thereby, the relation curve between the LED temperature controlling current and the blackbody simulation temperature difference is established, accurately achieved the temperature control of the infrared target. Experimental results show that the accuracy of the device in field testing of thermal imager MRTD can be limited within 0.1K, which greatly reduces the cost to meet the project requirements with a wide application value.

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.

Simulation of electromagnetic ion cyclotron triggered emissions in the Earth's inner magnetosphere

NASA Astrophysics Data System (ADS)

Shoji, Masafumi; Omura, Yoshiharu

2011-05-01

In a recent observation by the Cluster spacecraft, emissions triggered by electromagnetic ion cyclotron (EMIC) waves were discovered in the inner magnetosphere. We perform hybrid simulations to reproduce the EMIC triggered emissions. We develop a self-consistent one-dimensional hybrid code with a cylindrical geometry of the background magnetic field. We assume a parabolic magnetic field to model the dipole magnetic field in the equatorial region of the inner magnetosphere. Triggering EMIC waves are driven by a left-handed polarized external current assumed at the magnetic equator in the simulation model. Cold proton, helium, and oxygen ions, which form branches of the dispersion relation of the EMIC waves, are uniformly distributed in the simulation space. Energetic protons with a loss cone distribution function are also assumed as resonant particles. We reproduce rising tone emissions in the simulation space, finding a good agreement with the nonlinear wave growth theory. In the energetic proton velocity distribution we find formation of a proton hole, which is assumed in the nonlinear wave growth theory. A substantial amount of the energetic protons are scattered into the loss cone, while some of the resonant protons are accelerated to higher pitch angles, forming a pancake velocity distribution.

Passive scalar entrainment and mixing in a forced, spatially-developing mixing layer

NASA Technical Reports Server (NTRS)

Lowery, P. S.; Reynolds, W. C.; Mansour, N. N.

1987-01-01

Numerical simulations are performed for the forced, spatially-developing plane mixing layer in two and three dimensions. Transport of a passive scalar field is included in the computation. This, together with the allowance for spatial development in the simulations, affords the opportunity for study of the asymmetric entrainment of irrotational fluid into the layer. The inclusion of a passive scalar field provides a means for simulating the effect of this entrainment asymmetry on the generation of 'products' from a 'fast' chemical reaction. Further, the three-dimensional simulations provide useful insight into the effect of streamwise structures on these entrainment and 'fast' reaction processes. Results from a two-dimensional simulation indicate 1.22 parts high-speed fluid are entrained for every one part low-speed fluid. Inclusion of streamwise vortices at the inlet plane of a three-dimensional simulation indicate a further increase in asymmetric entrainment - 1.44:1. Results from a final three-dimensional simulation are presented. In this case, a random velocity perturbation is imposed at the inlet plane. The results indicate the 'natural' development of the large spanwise structures characteristic of the mixing layer.

Two-bead polarizable water models combined with a two-bead multipole force field (TMFF) for coarse-grained simulation of proteins.

PubMed

Li, Min; Zhang, John Z H

2017-03-08

The development of polarizable water models at coarse-grained (CG) levels is of much importance to CG molecular dynamics simulations of large biomolecular systems. In this work, we combined the newly developed two-bead multipole force field (TMFF) for proteins with the two-bead polarizable water models to carry out CG molecular dynamics simulations for benchmark proteins. In our simulations, two different two-bead polarizable water models are employed, the RTPW model representing five water molecules by Riniker et al. and the LTPW model representing four water molecules. The LTPW model is developed in this study based on the Martini three-bead polarizable water model. Our simulation results showed that the combination of TMFF with the LTPW model significantly stabilizes the protein's native structure in CG simulations, while the use of the RTPW model gives better agreement with all-atom simulations in predicting the residue-level fluctuation dynamics. Overall, the TMFF coupled with the two-bead polarizable water models enables one to perform an efficient and reliable CG dynamics study of the structural and functional properties of large biomolecules.

Field test and simulation evaluation of variable refrigerant flow systems performance

DOE PAGES

Lee, Je Hyeon; Im, Piljae; Song, Young-hak

2017-10-24

Our study aims to compare the performance of a Variable Refrigerant Flow (VRF) system with a Roof Top Unit, (RTU) and a variable-air-volume (VAV) system through field tests and energy simulations. The field test was conducted in as similar conditions as possible between the two systems, such as the installation and operating environments of heating, the ventilation and air conditioning (HVAC) system, including internal heat gain and outdoor conditions, including buildings to compare the performance of the two systems accurately. A VRF system and RTU were installed at the test building located in Oak Ridge, Tennessee, in the USA. Themore » same internal heat gain was generated at the same operating time of the two systems using lighting, electric heaters, and humidifiers inside the building. The HVAC system was alternately operated between cooling and heating operations to acquire energy performance data and to compare energy usage. Furthermore, an hourly building energy simulation model was developed with regard to the VRF system and RTU, and then the model was calibrated using actual measured data. Then, annual energy consumption of the two systems were compared and analyzed using the calibrated model. Moreover, additional analysis was conducted when the controlled discharge air temperature in the RTU was changed. The field test result showed that when energy consumptions of two systems were compared at the same outdoor conditions, using the weather-normalized model, the VRF system exhibited an energy reduction of approximately 17% during cooling operation and of approximately 74% during heating operations. A comparison on the annual energy consumption using simulations showed that the VRF system reduced energy consumption more than that of the RTU by 60%. Furthermore, when the discharge air temperature in the RTU was controlled according to the outdoor air temperature, energy consumption of the RTU was reduced by 6% in cooling operations and by 18% in heating operation. As a result, energy consumption of the VRF system was reduced by more than that of the RTU by 55% approximately.« less

Field test and simulation evaluation of variable refrigerant flow systems performance

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

Lee, Je Hyeon; Im, Piljae; Song, Young-hak

Our study aims to compare the performance of a Variable Refrigerant Flow (VRF) system with a Roof Top Unit, (RTU) and a variable-air-volume (VAV) system through field tests and energy simulations. The field test was conducted in as similar conditions as possible between the two systems, such as the installation and operating environments of heating, the ventilation and air conditioning (HVAC) system, including internal heat gain and outdoor conditions, including buildings to compare the performance of the two systems accurately. A VRF system and RTU were installed at the test building located in Oak Ridge, Tennessee, in the USA. Themore » same internal heat gain was generated at the same operating time of the two systems using lighting, electric heaters, and humidifiers inside the building. The HVAC system was alternately operated between cooling and heating operations to acquire energy performance data and to compare energy usage. Furthermore, an hourly building energy simulation model was developed with regard to the VRF system and RTU, and then the model was calibrated using actual measured data. Then, annual energy consumption of the two systems were compared and analyzed using the calibrated model. Moreover, additional analysis was conducted when the controlled discharge air temperature in the RTU was changed. The field test result showed that when energy consumptions of two systems were compared at the same outdoor conditions, using the weather-normalized model, the VRF system exhibited an energy reduction of approximately 17% during cooling operation and of approximately 74% during heating operations. A comparison on the annual energy consumption using simulations showed that the VRF system reduced energy consumption more than that of the RTU by 60%. Furthermore, when the discharge air temperature in the RTU was controlled according to the outdoor air temperature, energy consumption of the RTU was reduced by 6% in cooling operations and by 18% in heating operation. As a result, energy consumption of the VRF system was reduced by more than that of the RTU by 55% approximately.« less

Magnetic shield for turbomolecular pump of the Magnetized Plasma Linear Experimental device at Saha Institute of Nuclear Physics.

PubMed

Biswas, Subir; Chattopadhyay, Monobir; Pal, Rabindranath

2011-01-01

The turbo molecular pump of the Magnetized Plasma Linear Experimental device is protected from damage by a magnetic shield. As the pump runs continuously in a magnetic field environment during a plasma physics experiment, it may get damaged owing to eddy current effect. For design and testing of the shield, first we simulate in details various aspects of magnetic shield layouts using a readily available field design code. The performance of the shield made from two half cylinders of soft iron material, is experimentally observed to agree very well with the simulation results.

Simulation and training in Urology - in collaboration with ESU/ESUT.

PubMed

Veneziano, Domenico; Cacciamani, Giovanni; Shekhar Biyani, Chandra

2018-01-01

Being a Surgeon today means taking on your shoulders countless responsibilities. It is definitely a high-stakes job but, even though the professionals do not go through the intense, focused and demanding training schedule as followed by the other equally risky fields, it doesn't yet require any practical training certification. Simulation was introduced in the aviation field in the early '30s with the "Link Trainer", designed to reproduce the most difficult flying case scenario: landing on an air-carrier. After almost a century, flight simulation is still becoming more sophisticated, while surgical training is slowly starting to fill the gap. The aim of a simulator is to produce an "imitation of the operation of a real-world process or system over time". This short but effective definition explains why simulators are utilised across different fields. There is no doubt that surgeons are continuously undergoing a condition of stress, even in nonthreatening situations, while performing a procedure. This condition adds a relevant variable to surgery, meaning that mastering technical skills is not always equal to "safe surgery". This is why "non-technical skills" (NTS) training should be a part of any simulation based training opportunity and will probably start to be always more part of the Handson Training programs.

Phase field modeling of rapid crystallization in the phase-change material AIST

NASA Astrophysics Data System (ADS)

Tabatabaei, Fatemeh; Boussinot, Guillaume; Spatschek, Robert; Brener, Efim A.; Apel, Markus

2017-07-01

We carry out phase field modeling as a continuum simulation technique in order to study rapid crystallization processes in the phase-change material AIST (Ag4In3Sb67Te26). In particular, we simulate the spatio-temporal evolution of the crystallization of a molten area of the phase-change material embedded in a layer stack. The simulation model is adapted to the experimental conditions used for recent measurements of crystallization rates by a laser pulse technique. Simulations are performed for substrate temperatures close to the melting temperature of AIST down to low temperatures when an amorphous state is involved. The design of the phase field model using the thin interface limit allows us to retrieve the two limiting regimes of interface controlled (low temperatures) and thermal transport controlled (high temperatures) dynamics. Our simulations show that, generically, the crystallization velocity presents a maximum in the intermediate regime where both the interface mobility and the thermal transport, through the molten area as well as through the layer stack, are important. Simulations reveal the complex interplay of all different contributions. This suggests that the maximum switching velocity depends not only on material properties but also on the precise design of the thin film structure into which the phase-change material is embedded.

Geomechanical modeling of reservoir compaction, surface subsidence, and casing damage at the Belridge diatomite field

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

FREDRICH,JOANNE T.; DEITRICK,G.L.; ARGUELLO JR.,JOSE G.

2000-05-01

Geologic, and historical well failure, production, and injection data were analyzed to guide development of three-dimensional geomechanical models of the Belridge diatomite field, California. The central premise of the numerical simulations is that spatial gradients in pore pressure induced by production and injection in a low permeability reservoir may perturb the local stresses and cause subsurface deformation sufficient to result in well failure. Time-dependent reservoir pressure fields that were calculated from three-dimensional black oil reservoir simulations were coupled uni-directionally to three-dimensional non-linear finite element geomechanical simulations. The reservoir models included nearly 100,000 gridblocks (100--200 wells), and covered nearly 20 yearsmore » of production and injection. The geomechanical models were meshed from structure maps and contained more than 300,000 nodal points. Shear strain localization along weak bedding planes that causes casing dog-legs in the field was accommodated in the model by contact surfaces located immediately above the reservoir and at two locations in the overburden. The geomechanical simulations are validated by comparison of the predicted surface subsidence with field measurements, and by comparison of predicted deformation with observed casing damage. Additionally, simulations performed for two independently developed areas at South Belridge, Sections 33 and 29, corroborate their different well failure histories. The simulations suggest the three types of casing damage observed, and show that although water injection has mitigated surface subsidence, it can, under some circumstances, increase the lateral gradients in effective stress, that in turn can accelerate subsurface horizontal motions. Geomechanical simulation is an important reservoir management tool that can be used to identify optimal operating policies to mitigate casing damage for existing field developments, and applied to incorporate the effect of well failure potential in economic analyses of alternative infilling and development options.« less

Simulation study of solar plasma eruptions caused by interactions between emerging flux and coronal arcade fields

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

Kaneko, Takafumi; Yokoyama, Takaaki, E-mail: kaneko@eps.s.u-tokyo.ac.jp

2014-11-20

We investigate the triggering mechanisms of plasma eruptions in the solar atmosphere due to interactions between emerging flux and coronal arcade fields by using two-dimensional MHD simulations. We perform parameter surveys with respect to arcade field height, magnetic field strength, and emerging flux location. Our results show that two possible mechanisms exist, and which mechanism is dominant depends mostly on emerging flux location. One mechanism appears when the location of emerging flux is close to the polarity inversion line (PIL) of an arcade field. This mechanism requires reconnection between the emerging flux and the arcade field, as pointed out bymore » previous studies. The other mechanism appears when the location of emerging flux is around the edge of an arcade field. This mechanism does not require reconnection between the emerging flux and the arcade field but does demand reconnection in the arcade field above the PIL. Furthermore, we found that the eruptive condition for this mechanism can be represented by a simple formula.« less

A Very Large Eddy Simulation of the Nonreacting Flow in a Single-Element Lean Direct Injection Combustor Using PRNS with a Nonlinear Subscale Model

NASA Technical Reports Server (NTRS)

Shih, Tsan-Hsing; Liu, Nan-Suey

2009-01-01

Very large eddy simulation (VLES) of the nonreacting turbulent flow in a single-element lean direct injection (LDI) combustor has been successfully performed via the approach known as the partially resolved numerical simulation (PRNS/VLES) using a nonlinear subscale model. The grid is the same as the one used in a previous RANS simulation, which was considered as too coarse for a traditional LES simulation. In this study, we first carry out a steady RANS simulation to provide the initial flow field for the subsequent PRNS/VLES simulation. We have also carried out an unsteady RANS (URANS) simulation for the purpose of comparing its results with that of the PRNS/VLES simulation. In addition, these calculated results are compared with the experimental data. The present effort has demonstrated that the PRNS/VLES approach, while using a RANS type of grid, is able to reveal the dynamically important, unsteady large-scale turbulent structures occurring in the flow field of a single-element LDI combustor. The interactions of these coherent structures play a critical role in the dispersion of the fuel, hence, the mixing between the fuel and the oxidizer in a combustor.

Influence of the magnetic field profile on ITER conductor testing

NASA Astrophysics Data System (ADS)

Nijhuis, A.; Ilyin, Y.; ten Kate, H. H. J.

2006-08-01

We performed simulations with the numerical CUDI-CICC code on a typical short ITER (International Thermonuclear Experimental Reactor) conductor test sample of dual leg configuration, as usually tested in the SULTAN test facility, and made a comparison with the new EFDA-Dipole test facility offering a larger applied DC field region. The new EFDA-Dipole test facility, designed for short sample testing of conductors for ITER, has a homogeneous high field region of 1.2 m, while in the SULTAN facility this region is three times shorter. The inevitable non-uniformity of the current distribution in the cable, introduced by the joints at both ends, has a degrading effect on voltage-current (VI) and voltage-temperature (VT) characteristics, particularly for these short samples. This can easily result in an underestimation or overestimation of the actual conductor performance. A longer applied DC high field region along a conductor suppresses the current non-uniformity by increasing the overall longitudinal cable electric field when reaching the current sharing mode. The numerical interpretation study presented here gives a quantitative analysis for a relevant practical case of a test of a short sample poloidal field coil insert (PFCI) conductor in SULTAN. The simulation includes the results of current distribution analysis from self-field measurements with Hall sensor arrays, current sharing measurements and inter-petal resistance measurements. The outcome of the simulations confirms that the current uniformity improves with a longer high field region but the 'measured' VI transition is barely affected, though the local peak voltages become somewhat suppressed. It appears that the location of the high field region and voltage taps has practically no influence on the VI curve as long as the transverse voltage components are adequately cancelled. In particular, for a thin conduit wall, the voltage taps should be connected to the conduit in the form of an (open) azimuthally soldered wire, averaging the transverse conduit surface potentials initiated in the joints.

Diffusion of magnetic field via turbulent reconnection

NASA Astrophysics Data System (ADS)

Santos de Lima, Reinaldo; Lazarian, Alexander; de Gouveia Dal Pino, Elisabete M.; Cho, Jungyeon

2010-05-01

The diffusion of astrophysical magnetic fields in conducting fluids in the presence of turbulence depends on whether magnetic fields can change their topology via reconnection in highly conducting media. Recent progress in understanding fast magnetic reconnection in the presence of turbulence is reassuring that the magnetic field behavior in computer simulations and turbulent astrophysical environments is similar, as far as magnetic reconnection is concerned. This makes it meaningful to perform MHD simulations of turbulent flows in order to understand the diffusion of magnetic field in astrophysical environments. Our studies of magnetic field diffusion in turbulent medium reveal interesting new phenomena. First of all, our 3D MHD simulations initiated with anti-correlating magnetic field and gaseous density exhibit at later times a de-correlation of the magnetic field and density, which corresponds well to the observations of the interstellar media. While earlier studies stressed the role of either ambipolar diffusion or time-dependent turbulent fluctuations for de-correlating magnetic field and density, we get the effect of permanent de-correlation with one fluid code, i.e. without invoking ambipolar diffusion. In addition, in the presence of gravity and turbulence, our 3D simulations show the decrease of the magnetic flux-to-mass ratio as the gaseous density at the center of the gravitational potential increases. We observe this effect both in the situations when we start with equilibrium distributions of gas and magnetic field and when we follow the evolution of collapsing dynamically unstable configurations. Thus the process of turbulent magnetic field removal should be applicable both to quasi-static subcritical molecular clouds and cores and violently collapsing supercritical entities. The increase of the gravitational potential as well as the magnetization of the gas increases the segregation of the mass and magnetic flux in the saturated final state of the simulations, supporting the notion that the reconnection-enabled diffusivity relaxes the magnetic field + gas system in the gravitational field to its minimal energy state. This effect is expected to play an important role in star formation, from its initial stages of concentrating interstellar gas to the final stages of the accretion to the forming protostar.

Field significance of performance measures in the context of regional climate model evaluation. Part 1: temperature

NASA Astrophysics Data System (ADS)

Ivanov, Martin; Warrach-Sagi, Kirsten; Wulfmeyer, Volker

2018-04-01

A new approach for rigorous spatial analysis of the downscaling performance of regional climate model (RCM) simulations is introduced. It is based on a multiple comparison of the local tests at the grid cells and is also known as "field" or "global" significance. New performance measures for estimating the added value of downscaled data relative to the large-scale forcing fields are developed. The methodology is exemplarily applied to a standard EURO-CORDEX hindcast simulation with the Weather Research and Forecasting (WRF) model coupled with the land surface model NOAH at 0.11 ∘ grid resolution. Monthly temperature climatology for the 1990-2009 period is analysed for Germany for winter and summer in comparison with high-resolution gridded observations from the German Weather Service. The field significance test controls the proportion of falsely rejected local tests in a meaningful way and is robust to spatial dependence. Hence, the spatial patterns of the statistically significant local tests are also meaningful. We interpret them from a process-oriented perspective. In winter and in most regions in summer, the downscaled distributions are statistically indistinguishable from the observed ones. A systematic cold summer bias occurs in deep river valleys due to overestimated elevations, in coastal areas due probably to enhanced sea breeze circulation, and over large lakes due to the interpolation of water temperatures. Urban areas in concave topography forms have a warm summer bias due to the strong heat islands, not reflected in the observations. WRF-NOAH generates appropriate fine-scale features in the monthly temperature field over regions of complex topography, but over spatially homogeneous areas even small biases can lead to significant deteriorations relative to the driving reanalysis. As the added value of global climate model (GCM)-driven simulations cannot be smaller than this perfect-boundary estimate, this work demonstrates in a rigorous manner the clear additional value of dynamical downscaling over global climate simulations. The evaluation methodology has a broad spectrum of applicability as it is distribution-free, robust to spatial dependence, and accounts for time series structure.

electromagnetics, eddy current, computer codes

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

Gartling, David

TORO Version 4 is designed for finite element analysis of steady, transient and time-harmonic, multi-dimensional, quasi-static problems in electromagnetics. The code allows simulation of electrostatic fields, steady current flows, magnetostatics and eddy current problems in plane or axisymmetric, two-dimensional geometries. TORO is easily coupled to heat conduction and solid mechanics codes to allow multi-physics simulations to be performed.

Roof temperatures in simulated attics

Treesearch

J. E. Winandy; R. Beaumont

The degradation of wood treated with fire retardant (FR) chemicals in roof systems is a problem of major national significance. Understanding of this phenomenon is limited by lack of information on how the performance of FR-treated wood in the laboratory correlates to that of FR-treated wood in the field. In this study, five outdoor field exposure chambers were...

Real versus Simulated Mobile Phone Exposures in Experimental Studies

PubMed Central

Panagopoulos, Dimitris J.; Johansson, Olle; Carlo, George L.

2015-01-01

We examined whether exposures to mobile phone radiation in biological/clinical experiments should be performed with real-life Electromagnetic Fields (EMFs) emitted by commercially available mobile phone handsets, instead of simulated EMFs emitted by generators or test phones. Real mobile phone emissions are constantly and unpredictably varying and thus are very different from simulated emissions which employ fixed parameters and no variability. This variability is an important parameter that makes real emissions more bioactive. Living organisms seem to have decreased defense against environmental stressors of high variability. While experimental studies employing simulated EMF-emissions present a strong inconsistency among their results with less than 50% of them reporting effects, studies employing real mobile phone exposures demonstrate an almost 100% consistency in showing adverse effects. This consistency is in agreement with studies showing association with brain tumors, symptoms of unwellness, and declines in animal populations. Average dosimetry in studies with real emissions can be reliable with increased number of field measurements, and variation in experimental outcomes due to exposure variability becomes less significant with increased number of experimental replications. We conclude that, in order for experimental findings to reflect reality, it is crucially important that exposures be performed by commercially available mobile phone handsets. PMID:26346766

Comparative Field Tests of Pressurised Rover Prototypes

NASA Astrophysics Data System (ADS)

Mann, G. A.; Wood, N. B.; Clarke, J. D.; Piechochinski, S.; Bamsey, M.; Laing, J. H.

The conceptual designs, interior layouts and operational performances of three pressurised rover prototypes - Aonia, ARES and Everest - were field tested during a recent simulation at the Mars Desert Research Station in Utah. A human factors experiment, in which the same crew of three executed the same simulated science mission in each of the three vehicles, yielded comparative data on the capacity of each vehicle to safely and comfortably carry explorers away from the main base, enter and exit the vehicle in spacesuits, perform science tasks in the field, and manage geological and biological samples. As well as offering recommendations for design improvements for specific vehicles, the results suggest that a conventional Sports Utility Vehicle (SUV) would not be suitable for analog field work; that a pressurised docking tunnel to the main habitat is essential; that better provisions for spacesuit storage are required; and that a crew consisting of one driver/navigator and two field science crew specialists may be optimal. From a field operations viewpoint, a recurring conflict between rover and habitat crews at the time of return to the habitat was observed. An analysis of these incidents leads to proposed refinements of operational protocols, specific crew training for rover returns and again points to the need for a pressurised docking tunnel. Sound field testing, circulating of results, and building the lessons learned into new vehicles is advocated as a way of producing ever higher fidelity rover analogues.

Ocean wind field measurement performance of the ERS-1 scatterometer

NASA Technical Reports Server (NTRS)

Hans, P.; Schuessler, H.

1984-01-01

The Active Microwave Instrumentation (AMI), which will be implemented on the ERS-1, is a 5.3 GHz multipurpose radar for land surface imaging, ocean wave spectrum measurement and wind observations over oceans. The imaging and wave measurements apply Synthetic Aperture Radar (SAR) techniques, while wind field detection is performed by the Scatterometer as part of the AMI. The Scatterometer system design was developed and optimized with the aid of a performance simulator. This paper, aimed at giving an overview, is presented about the: (1) ERS-1 Scatterometer system design; (2) Error budget; and the (3) Overall calibration concept.

Real-Time-Simulation of IEEE-5-Bus Network on OPAL-RT-OP4510 Simulator

NASA Astrophysics Data System (ADS)

Atul Bhandakkar, Anjali; Mathew, Lini, Dr.

2018-03-01

The Real-Time Simulator tools have high computing technologies, improved performance. They are widely used for design and improvement of electrical systems. The advancement of the software tools like MATLAB/SIMULINK with its Real-Time Workshop (RTW) and Real-Time Windows Target (RTWT), real-time simulators are used extensively in many engineering fields, such as industry, education, and research institutions. OPAL-RT-OP4510 is a Real-Time Simulator which is used in both industry and academia. In this paper, the real-time simulation of IEEE-5-Bus network is carried out by means of OPAL-RT-OP4510 with CRO and other hardware. The performance of the network is observed with the introduction of fault at various locations. The waveforms of voltage, current, active and reactive power are observed in the MATLAB simulation environment and on the CRO. Also, Load Flow Analysis (LFA) of IEEE-5-Bus network is computed using MATLAB/Simulink power-gui load flow tool.

Bacterial transformation and biodegradation processes simulation in horizontal subsurface flow constructed wetlands using CWM1-RETRASO.

PubMed

Llorens, Esther; Saaltink, Maarten W; Poch, Manel; García, Joan

2011-01-01

The performance and reliability of the CWM1-RETRASO model for simulating processes in horizontal subsurface flow constructed wetlands (HSSF CWs) and the relative contribution of different microbial reactions to organic matter (COD) removal in a HSSF CW treating urban wastewater were evaluated. Various different approaches with diverse influent configurations were simulated. According to the simulations, anaerobic processes were more widespread in the simulated wetland and contributed to a higher COD removal rate [72-79%] than anoxic [0-1%] and aerobic reactions [20-27%] did. In all the cases tested, the reaction that most contributed to COD removal was methanogenesis [58-73%]. All results provided by the model were in consonance with literature and experimental field observations, suggesting a good performance and reliability of CWM1-RETRASO. According to the good simulation predictions, CWM1-RETRASO is the first mechanistic model able to successfully simulate the processes described by the CWM1 model in HSSF CWs. Copyright © 2010 Elsevier Ltd. All rights reserved.

Instrument Noise Simulation for GRACE Follow-On

NASA Astrophysics Data System (ADS)

Darbeheshti, N.; Mueller, V.; Wegener, H.; Hewitson, M.; Heinzel, G.; Naeimi, M.; Flury, J.

2016-12-01

The quality of the temporal gravity field from GRACE Follow-On mission depends on its multi-sensor system consisting of inter-satellite ranging with microwave and laser ranging instrument, GNSS orbit tracking, accelerometry, and attitude sensing. In this presentation, the noise models for GRACE Follow-On major instruments are described and their effect on the estimation of Earth's gravity field accuracy are discussed. To do this the spectrum of the instruments noise models has been related to the spectrum of the disturbing potential of the Earth's gravity field. The instrument noise models are available to the geodesy community through GRACE Follow-On mock data challenges. The performance of gravity field recovery approaches can be tested by comparing observation residuals to the simulated instrument noises. The instrument noise models will also provide valuable insight for inter-satellite ranging configurations beyond GRACE Follow-On.

Enhancing the Spectral Hardening of Cosmic TeV Photons by Mixing with Axionlike Particles in the Magnetized Cosmic Web.

PubMed

Montanino, Daniele; Vazza, Franco; Mirizzi, Alessandro; Viel, Matteo

2017-09-08

Large-scale extragalactic magnetic fields may induce conversions between very-high-energy photons and axionlike particles (ALPs), thereby shielding the photons from absorption on the extragalactic background light. However, in simplified "cell" models, used so far to represent extragalactic magnetic fields, this mechanism would be strongly suppressed by current astrophysical bounds. Here we consider a recent model of extragalactic magnetic fields obtained from large-scale cosmological simulations. Such simulated magnetic fields would have large enhancement in the filaments of matter. As a result, photon-ALP conversions would produce a significant spectral hardening for cosmic TeV photons. This effect would be probed with the upcoming Cherenkov Telescope Array detector. This possible detection would give a unique chance to perform a tomography of the magnetized cosmic web with ALPs.

Investigation of outside visual cues required for low speed and hover

NASA Technical Reports Server (NTRS)

Hoh, R. H.

1985-01-01

Knowledge of the visual cues required in the performance of stabilized hover in VTOL aircraft is a prerequisite for the development of both cockpit displays and ground-based simulation systems. Attention is presently given to the viability of experimental test flight techniques as the bases for the identification of essential external cues in aggressive and precise low speed and hovering tasks. The analysis and flight test program conducted employed a helicopter and a pilot wearing lenses that could be electronically fogged, where the primary variables were field-of-view, large object 'macrotexture', and fine detail 'microtexture', in six different fields-of-view. Fundamental metrics are proposed for the quantification of the visual field, to allow comparisons between tests, simulations, and aircraft displays.

PACSAB: Coarse-Grained Force Field for the Study of Protein-Protein Interactions and Conformational Sampling in Multiprotein Systems.

PubMed

Emperador, Agustí; Sfriso, Pedro; Villarreal, Marcos Ariel; Gelpí, Josep Lluis; Orozco, Modesto

2015-12-08

Molecular dynamics simulations of proteins are usually performed on a single molecule, and coarse-grained protein models are calibrated using single-molecule simulations, therefore ignoring intermolecular interactions. We present here a new coarse-grained force field for the study of many protein systems. The force field, which is implemented in the context of the discrete molecular dynamics algorithm, is able to reproduce the properties of folded and unfolded proteins, in both isolation, complexed forming well-defined quaternary structures, or aggregated, thanks to its proper evaluation of protein-protein interactions. The accuracy and computational efficiency of the method makes it a universal tool for the study of the structure, dynamics, and association/dissociation of proteins.

Nonequilibrium simulations of model ionomers in an oscillating electric field

DOE PAGES

Ting, Christina L.; Sorensen-Unruh, Karen E.; Stevens, Mark J.; ...

2016-07-25

Here, we perform molecular dynamics simulations of a coarse-grained model of ionomer melts in an applied oscillating electric field. The frequency-dependent conductivity and susceptibility are calculated directly from the current density and polarization density, respectively. At high frequencies, we find a peak in the real part of the conductivity due to plasma oscillations of the ions. At lower frequencies, the dynamic response of the ionomers depends on the ionic aggregate morphology in the system, which consists of either percolated or isolated aggregates. We show that the dynamic response of the model ionomers to the applied oscillating field can be understoodmore » by comparison with relevant time scales in the systems, obtained from independent calculations.« less

Nonequilibrium simulations of model ionomers in an oscillating electric field

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

Ting, Christina L.; Sorensen-Unruh, Karen E.; Stevens, Mark J.

Here, we perform molecular dynamics simulations of a coarse-grained model of ionomer melts in an applied oscillating electric field. The frequency-dependent conductivity and susceptibility are calculated directly from the current density and polarization density, respectively. At high frequencies, we find a peak in the real part of the conductivity due to plasma oscillations of the ions. At lower frequencies, the dynamic response of the ionomers depends on the ionic aggregate morphology in the system, which consists of either percolated or isolated aggregates. We show that the dynamic response of the model ionomers to the applied oscillating field can be understoodmore » by comparison with relevant time scales in the systems, obtained from independent calculations.« less

Flow field prediction in full-scale Carrousel oxidation ditch by using computational fluid dynamics.

PubMed

Yang, Yin; Wu, Yingying; Yang, Xiao; Zhang, Kai; Yang, Jiakuan

2010-01-01

In order to optimize the flow field in a full-scale Carrousel oxidation ditch with many sets of disc aerators operating simultaneously, an experimentally validated numerical tool, based on computational fluid dynamics (CFD), was proposed. A full-scale, closed-loop bioreactor (Carrousel oxidation ditch) in Ping Dingshan Sewage Treatment Plant in Ping Dingshan City, a medium-sized city in Henan Province of China, was evaluated using CFD. Moving wall model was created to simulate many sets of disc aerators which created fluid motion in the ditch. The simulated results were acceptable compared with the experimental data and the following results were obtained: (1) a new method called moving wall model could simulate the flow field in Carrousel oxidation ditch with many sets of disc aerators operating simultaneously. The whole number of cells of grids decreased significantly, thus the calculation amount decreased, and (2) CFD modeling generally characterized the flow pattern in the full-scale tank. 3D simulation could be a good supplement for improving the hydrodynamic performance in oxidation ditch designs.

Near-Field Acoustic Power Level Analysis of F31/A31 Open Rotor Model at Simulated Cruise Conditions, Technical Report II

NASA Technical Reports Server (NTRS)

Sree, Dave

2015-01-01

Near-field acoustic power level analysis of F31A31 open rotor model has been performed to determine its noise characteristics at simulated cruise flight conditions. The non-proprietary parts of the test data obtained from experiments in the 8x6 supersonic wind tunnel were provided by NASA-Glenn Research Center. The tone and broadband components of total noise have been separated from raw test data by using a new data analysis tool. Results in terms of sound pressure levels, acoustic power levels, and their variations with rotor speed, freestream Mach number, and input shaft power, with different blade-pitch setting angles at simulated cruise flight conditions, are presented and discussed. Empirical equations relating models acoustic power level and input shaft power have been developed. The near-field acoustic efficiency of the model at simulated cruise conditions is also determined. It is hoped that the results presented in this work will serve as a database for comparison and improvement of other open rotor blade designs and also for validating open rotor noise prediction codes.

Numerical simulation of the effect of upstream swirling flow on swirl meter performance

NASA Astrophysics Data System (ADS)

Chen, Desheng; Cui, Baoling; Zhu, Zuchao

2018-04-01

Flow measurement is important in the fluid process and transmission system. For the need of accuracy measurement of fluid, stable flow is acquired. However, the elbows and devices as valves and rotary machines may produce swirling flow in the natural gas pipeline networks system and many other industry fields. In order to reveal the influence of upstream swirling flow on internal flow fields and the metrological characteristics, numerical simulations are carried out on the swirl meter. Using RNG k-ɛ turbulent model and SIMPLE algorithm, the flow field is numerically simulated under swirling flows generated from co-swirl and counter-swirl flow. Simulation results show fluctuation is enhanced or weakened depending on the rotating direction of swirling flow. A counter- swirl flow increases the entropy production rate at the inlet and outlet of the swirler, the junction region between throat and divergent section, and then the pressure loss is increased. The vortex precession dominates the static pressure distributions on the solid walls and in the channel, especially at the end region of the throat.

Multisite Evaluation of APEX for Water Quality: II. Regional Parameterization.

PubMed

Nelson, Nathan O; Baffaut, Claire; Lory, John A; Anomaa Senaviratne, G M M M; Bhandari, Ammar B; Udawatta, Ranjith P; Sweeney, Daniel W; Helmers, Matt J; Van Liew, Mike W; Mallarino, Antonio P; Wortmann, Charles S

2017-11-01

Phosphorus (P) Index assessment requires independent estimates of long-term average annual P loss from fields, representing multiple climatic scenarios, management practices, and landscape positions. Because currently available measured data are insufficient to evaluate P Index performance, calibrated and validated process-based models have been proposed as tools to generate the required data. The objectives of this research were to develop a regional parameterization for the Agricultural Policy Environmental eXtender (APEX) model to estimate edge-of-field runoff, sediment, and P losses in restricted-layer soils of Missouri and Kansas and to assess the performance of this parameterization using monitoring data from multiple sites in this region. Five site-specific calibrated models (SSCM) from within the region were used to develop a regionally calibrated model (RCM), which was further calibrated and validated with measured data. Performance of the RCM was similar to that of the SSCMs for runoff simulation and had Nash-Sutcliffe efficiency (NSE) > 0.72 and absolute percent bias (|PBIAS|) < 18% for both calibration and validation. The RCM could not simulate sediment loss (NSE < 0, |PBIAS| > 90%) and was particularly ineffective at simulating sediment loss from locations with small sediment loads. The RCM had acceptable performance for simulation of total P loss (NSE > 0.74, |PBIAS| < 30%) but underperformed the SSCMs. Total P-loss estimates should be used with caution due to poor simulation of sediment loss. Although we did not attain our goal of a robust regional parameterization of APEX for estimating sediment and total P losses, runoff estimates with the RCM were acceptable for P Index evaluation. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Design of a Low Gravity Simulator for Performing Non-Equilibrium Investigations near the Lambda Transition of ^4He

NASA Technical Reports Server (NTRS)

Israelsson, U. E.; Duncan, R. V.

1993-01-01

A design is presented of a low gravity simulator where a magnetic field gradient is employed to oppose the hydrostatic pressure effects of gravity. It appears feasible to reduce the effective gravity environment of the helium in the cell by about two orders of magnitude. The corresponding shift in transition temperature with vertical height would be reduced to 12.7 nK/cm. Methods for instrumenting the simulator to perform high resolution investigations of non-equilibrium phenomena near the lambda point are presented. The advantages of using a low gravity simulator in searching for the predicted change in character of the superfluid transition from continuous to first order in the presence of a heat current are also discussed.

Computational Fluid Dynamics Simulation Study of Active Power Control in Wind Plants

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

Fleming, Paul; Aho, Jake; Gebraad, Pieter

2016-08-01

This paper presents an analysis performed on a wind plant's ability to provide active power control services using a high-fidelity computational fluid dynamics-based wind plant simulator. This approach allows examination of the impact on wind turbine wake interactions within a wind plant on performance of the wind plant controller. The paper investigates several control methods for improving performance in waked conditions. One method uses wind plant wake controls, an active field of research in which wind turbine control systems are coordinated to account for their wakes, to improve the overall performance. Results demonstrate the challenge of providing active power controlmore » in waked conditions but also the potential methods for improving this performance.« less

On a more rigorous gravity field processing for future LL-SST type gravity satellite missions

NASA Astrophysics Data System (ADS)

Daras, I.; Pail, R.; Murböck, M.

2013-12-01

In order to meet the augmenting demands of the user community concerning accuracies of temporal gravity field models, future gravity missions of low-low satellite-to-satellite tracking (LL-SST) type are planned to carry more precise sensors than their precedents. A breakthrough is planned with the improved LL-SST measurement link, where the traditional K-band microwave instrument of 1μm accuracy will be complemented by an inter-satellite ranging instrument of several nm accuracy. This study focuses on investigations concerning the potential performance of the new sensors and their impact in gravity field solutions. The processing methods for gravity field recovery have to meet the new sensor standards and be able to take full advantage of the new accuracies that they provide. We use full-scale simulations in a realistic environment to investigate whether the standard processing techniques suffice to fully exploit the new sensors standards. We achieve that by performing full numerical closed-loop simulations based on the Integral Equation approach. In our simulation scheme, we simulate dynamic orbits in a conventional tracking analysis to compute pseudo inter-satellite ranges or range-rates that serve as observables. Each part of the processing is validated separately with special emphasis on numerical errors and their impact in gravity field solutions. We demonstrate that processing with standard precision may be a limiting factor for taking full advantage of new generation sensors that future satellite missions will carry. Therefore we have created versions of our simulator with enhanced processing precision with primarily aim to minimize round-off system errors. Results using the enhanced precision show a big reduction of system errors that were present at the standard precision processing even for the error-free scenario, and reveal the improvements the new sensors will bring into the gravity field solutions. As a next step, we analyze the contribution of individual error sources to the system's error budget. More specifically we analyze sensor noise from the laser interferometer and the accelerometers, errors in the kinematic orbits and the background fields as well as temporal and spatial aliasing errors. We give special care on the assessment of error sources with stochastic behavior, such as the laser interferometer and the accelerometers, and their consistent stochastic modeling in frame of the adjustment process.

Comparison of the crossed and the Gregorian Mizuguchi-Dragone for wide-field millimeter-wave astronomy.

PubMed

Tran, Huan; Lee, Adrian; Hanany, Shaul; Milligan, Michael; Renbarger, Tom

2008-01-10

We compare the geometric and physical-optics performance of two configurations of offset dual-reflector antennas that obey the Mizuguchi-Dragone condition. The traditional Gregorian configuration is compared with the larger crossed configuration. These configurations are candidates for experiments that measure the polarization of the cosmic microwave background. Particular attention is given to wide-field performance and polarization fidelity. Both a ray tracer and a physical optics simulation package are used to conclude that the crossed configuration has a larger diffraction-limited field of view, but within this limit both configurations have roughly the same instrumental polarization and both show excellent cross-polarization levels, with the crossed configuration showing approximately 10 dB better performance.

Comparison of the crossed and the Gregorian Mizuguchi-Dragone for wide-field millimeter-wave astronomy

NASA Astrophysics Data System (ADS)

Tran, Huan; Lee, Adrian; Hanany, Shaul; Milligan, Michael; Renbarger, Tom

2008-01-01

We compare the geometric and physical-optics performance of two configurations of offset dual-reflector antennas that obey the Mizuguchi-Dragone condition. The traditional Gregorian configuration is compared with the larger crossed configuration. These configurations are candidates for experiments that measure the polarization of the cosmic microwave background. Particular attention is given to wide-field performance and polarization fidelity. Both a ray tracer and a physical optics simulation package are used to conclude that the crossed configuration has a larger diffraction-limited field of view, but within this limit both configurations have roughly the same instrumental polarization and both show excellent cross-polarization levels, with the crossed configuration showing ~10 dB better performance.

Enhanced sampling molecular dynamics simulation captures experimentally suggested intermediate and unfolded states in the folding pathway of Trp-cage miniprotein.

PubMed

Shao, Qiang; Shi, Jiye; Zhu, Weiliang

2012-09-28

The ability of molecular dynamics simulation to capturing the transient states within the folding pathway of protein is important to the understanding of protein folding mechanism. In the present study, the integrated-tempering-sampling molecular dynamics (ITS-MD) simulation was performed to investigate the transient states including intermediate and unfolded ones in the folding pathway of a miniprotein, Trp-cage. Three force fields (FF03, FF99SB, and FF96) were tested, and both intermediate and unfolded states with their characteristics in good agreement with experiments were observed during the simulations, which supports the hypothesis that observable intermediates might present in the folding pathway of small polypeptides. In addition, it was demonstrated that FF03 force field as combined with ITS-MD is in overall a more proper force field than the others in reproducing experimentally recorded properties in UVRS, ECD, and NMR, Photo-CIDNP NMR, and IR T-jump experiments, and the folding∕unfolding thermodynamics parameters, such as ΔG(U), ΔC(p), and ΔH(U) (T(m)). In summary, the present study showed that using suitable force field and energy sampling method, molecular dynamics simulation could capture the transient states within the folding pathway of protein which are consistent with the experimental measurements, and thus provide information of protein folding mechanism and thermodynamics.

Analysis of the performance and space conditioning impacts of dedicated heat pump water heaters

NASA Astrophysics Data System (ADS)

Morrison, L.; Swisher, J.

The development and testing of the newly-marketed dedicated heat pump water heater (HPWH) are described. This system utilizes an air-to-water heat pump, costs about $1,000 installed, and obtains a coefficient of performance (COP) of about 2.0 in laboratory and field tests. To investigate HPWH performance and space conditioning impacts, a simulation was developed to mode the thermal performance of a residence with resistance baseboard heat, air conditioning, and either heat pump or resistance water heating. The building characteristics are adapted for three U.S. geographical areas (Madison, Wisconsin; Washington, D.C.; and Ft. Worth, Texas), and the system is simulated for a year with typical weather data. The thermal network includes both a house node and a basement node so that the water heating equipment can be simulated in an unconditioned basement in Northern cities and in a conditioned first-floor utility room in Southern cities.

Noise and linearity optimization methods for a 1.9GHz low noise amplifier.

PubMed

Guo, Wei; Huang, Da-Quan

2003-01-01

Noise and linearity performances are critical characteristics for radio frequency integrated circuits (RFICs), especially for low noise amplifiers (LNAs). In this paper, a detailed analysis of noise and linearity for the cascode architecture, a widely used circuit structure in LNA designs, is presented. The noise and the linearity improvement techniques for cascode structures are also developed and have been proven by computer simulating experiments. Theoretical analysis and simulation results showed that, for cascode structure LNAs, the first metallic oxide semiconductor field effect transistor (MOSFET) dominates the noise performance of the LNA, while the second MOSFET contributes more to the linearity. A conclusion is thus obtained that the first and second MOSFET of the LNA can be designed to optimize the noise performance and the linearity performance separately, without trade-offs. The 1.9GHz Complementary Metal-Oxide-Semiconductor (CMOS) LNA simulation results are also given as an application of the developed theory.

Eddy current simulation in thick cylinders of finite length induced by coils of arbitrary geometry.

PubMed

Sanchez Lopez, Hector; Poole, Michael; Crozier, Stuart

2010-12-01

Eddy currents are inevitably induced when time-varying magnetic field gradients interact with the metallic structures of a magnetic resonance imaging (MRI) scanner. The secondary magnetic field produced by this induced current degrades the spatial and temporal performance of the primary field generated by the gradient coils. Although this undesired effect can be minimized by using actively and/or passively shielded gradient coils and current pre-emphasis techniques, a residual eddy current still remains in the MRI scanner structure. Accurate simulation of these eddy currents is important in the successful design of gradient coils and magnet cryostat vessels. Efficient methods for simulating eddy currents are currently restricted to cylindrical-symmetry. The approach presented in this paper divides thick conducting cylinders into thin layers (thinner than the skin depth) and expresses the current density on each as a Fourier series. The coupling between each mode of the Fourier series with every other is modeled with an inductive network method. In this way, the eddy currents induced in realistic cryostat surfaces by coils of arbitrary geometry can be simulated. The new method was validated by simulating a canonical problem and comparing the results against a commercially available software package. An accurate skin depth of 2.76 mm was calculated in 6 min with the new method. The currents induced by an actively shielded x-gradient coil were simulated assuming a finite length cylindrical cryostat consisting of three different conducting materials. Details of the temporal-spatial induced current diffusion process were simulated through all cryostat layers, which could not be efficiently simulated with any other method. With this data, all quantities that depend on the current density, such as the secondary magnetic field, are simply evaluated. Copyright © 2010 Elsevier Inc. All rights reserved.

Performance analysis and technical assessment of coherent lidar systems for airborne wind shear detection

NASA Technical Reports Server (NTRS)

Huffaker, R. Milton; Targ, Russell

1988-01-01

Detailed computer simulations of the lidar wind-measuring process have been conducted to evaluate the use of pulsed coherent lidar for airborne windshear monitoring. NASA data fields for an actual microburst event were used in the simulation. Both CO2 and Ho:YAG laser lidar systems performed well in the microburst test case, and were able to measure wind shear in the severe weather of this wet microburst to ranges in excess of 1.4 km. The consequent warning time gained was about 15 sec.

SPS phase control system performance via analytical simulation

NASA Technical Reports Server (NTRS)

Lindsey, W. C.; Kantak, A. V.; Chie, C. M.; Booth, R. W. D.

1979-01-01

A solar power satellite transmission system which incorporates automatic beam forming, steering, and phase control is discussed. The phase control concept centers around the notation of an active retrodirective phased array as a means of pointing the beam to the appropriate spot on Earth. The transmitting antenna (spacetenna) directs the high power beam so that it focuses on the ground-based receiving antenna (rectenna). A combination of analysis and computerized simulation was conducted to determine the far field performance of the reference distribution system, and the beam forming and microwave power generating systems.

Numerical Analysis of a Rotating Detonation Engine in the Relative Reference Frame

NASA Technical Reports Server (NTRS)

Paxson, Daniel E.

2014-01-01

A two-dimensional, computational fluid dynamic (CFD) simulation of a semi-idealized rotating detonation engine (RDE) is described. The simulation operates in the detonation frame of reference and utilizes a relatively coarse grid such that only the essential primary flow field structure is captured. This construction yields rapidly converging, steady solutions. Results from the simulation are compared to those from a more complex and refined code, and found to be in reasonable agreement. The performance impacts of several RDE design parameters are then examined. Finally, for a particular RDE configuration, it is found that direct performance comparison can be made with a straight-tube pulse detonation engine (PDE). Results show that they are essentially equivalent.

Large Eddy Simulations and Turbulence Modeling for Film Cooling

NASA Technical Reports Server (NTRS)

Acharya, Sumanta

1999-01-01

The objective of the research is to perform Direct Numerical Simulations (DNS) and Large Eddy Simulations (LES) for film cooling process, and to evaluate and improve advanced forms of the two equation turbulence models for turbine blade surface flow analysis. The DNS/LES were used to resolve the large eddies within the flow field near the coolant jet location. The work involved code development and applications of the codes developed to the film cooling problems. Five different codes were developed and utilized to perform this research. This report presented a summary of the development of the codes and their applications to analyze the turbulence properties at locations near coolant injection holes.

High-Speed Particle-in-Cell Simulation Parallelized with Graphic Processing Units for Low Temperature Plasmas for Material Processing

NASA Astrophysics Data System (ADS)

Hur, Min Young; Verboncoeur, John; Lee, Hae June

2014-10-01

Particle-in-cell (PIC) simulations have high fidelity in the plasma device requiring transient kinetic modeling compared with fluid simulations. It uses less approximation on the plasma kinetics but requires many particles and grids to observe the semantic results. It means that the simulation spends lots of simulation time in proportion to the number of particles. Therefore, PIC simulation needs high performance computing. In this research, a graphic processing unit (GPU) is adopted for high performance computing of PIC simulation for low temperature discharge plasmas. GPUs have many-core processors and high memory bandwidth compared with a central processing unit (CPU). NVIDIA GeForce GPUs were used for the test with hundreds of cores which show cost-effective performance. PIC code algorithm is divided into two modules which are a field solver and a particle mover. The particle mover module is divided into four routines which are named move, boundary, Monte Carlo collision (MCC), and deposit. Overall, the GPU code solves particle motions as well as electrostatic potential in two-dimensional geometry almost 30 times faster than a single CPU code. This work was supported by the Korea Institute of Science Technology Information.

Relative Cost and Training Effectiveness of the 6883 Three-Dimensional Simulator and Actual Equipment.

DTIC Science & Technology

1980-09-01

evaluated. The objectis e of this study was to isolate classroom and field performance differences as a function of the training equipnment used and to...THIS PAtICmmUn bat. Saelrwo Item 20 (Continued): ausperviser followup questionnaires were administered in the field to provide additional feedback about...competent maintenance technicians to the field . As a train- ing device, actual equipment does not readily permit the controlled presentation of

Influence of electric field on the hydrogen bond network of water.

PubMed

Suresh, S J; Satish, A V; Choudhary, A

2006-02-21

Understanding the inherent response of water to an external electric (E)-field is useful towards decoupling the role of E-field and surface in several practically encountered situations, such as that near an ion, near a charged surface, or within a biological nanopore. While this problem has been studied in some detail through simulations in the past, it has not been very amenable for theoretical analysis owing to the complexities presented by the hydrogen (H) bond interactions in water. It is also difficult to perform experiments with water in externally imposed, high E-fields owing to dielectric breakdown problems; it is hence all the more important that theoretical progress in this area complements the progress achieved through simulations. In an attempt to fill this lacuna, we develop a theory based on relatively simple concepts of reaction equilibria and Boltzmann distribution. The results are discussed in three parts: one pertaining to a comparison of the key features of the theory vis a vis published simulation/experimental results; second pertaining to insights into the H-bond stoichiometry and molecular orientations at different field strengths and temperatures; and the third relating to a surprising but explainable finding that H-bonds can stabilize molecules whose dipoles are oriented perpendicular to the direction of field (in addition to the E-field and H-bonds both stabilizing molecules with dipoles aligned in the direction of the field).

Atmosphere-ocean feedbacks in a coastal upwelling system

NASA Astrophysics Data System (ADS)

Alves, J. M. R.; Peliz, A.; Caldeira, R. M. A.; Miranda, P. M. A.

2018-03-01

The COAWST (Coupled Ocean-Atmosphere-Wave-Sediment Transport) modelling system is used in different configurations to simulate the Iberian upwelling during the 2012 summer, aiming to assess the atmosphere-ocean feedbacks in the upwelling dynamics. When model results are compared with satellite measurements and in-situ data, two-way coupling is found to have a moderate impact in data-model statistics. A significant reinforcement of atmosphere-ocean coupling coefficients is, however, observed in the two-way coupled run, and in the WRF and ROMS runs forced by previously simulated SST and wind fields, respectively. The increasing in the coupling coefficient is associated with slight, but potentially important changes in the low-level coastal jet in the atmospheric marine boundary layer. While these results do not imply the need for fully coupled simulations in many applications, they show that in seasonal numerical studies such simulations do not degrade the overall model performance, and contribute to produce better dynamical fields.

Numerical Simulation and Experimental Casting of Nickel-Based Single-Crystal Superalloys by HRS and LMC Directional Solidification Processes

NASA Astrophysics Data System (ADS)

Yan, Xuewei; Wang, Run'nan; Xu, Qingyan; Liu, Baicheng

2017-04-01

Mathematical models for dynamic heat radiation and convection boundary in directional solidification processes are established to simulate the temperature fields. Cellular automaton (CA) method and Kurz-Giovanola-Trivedi (KGT) growth model are used to describe nucleation and growth. Primary dendritic arm spacing (PDAS) and secondary dendritic arm spacing (SDAS) are calculated by the Ma-Sham (MS) and Furer-Wunderlin (FW) models respectively. The mushy zone shape is investigated based on the temperature fields, for both high-rate solidification (HRS) and liquid metal cooling (LMC) processes. The evolution of the microstructure and crystallographic orientation are analyzed by simulation and electron back-scattered diffraction (EBSD) technique, respectively. Comparison of the simulation results from PDAS and SDAS with experimental results reveals a good agreement with each other. The results show that LMC process can provide both dendritic refinement and superior performance for castings due to the increased cooling rate and thermal gradient.

Atomic bonding effects in annular dark field scanning transmission electron microscopy. I. Computational predictions

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

Odlyzko, Michael L.; Mkhoyan, K. Andre, E-mail: mkhoyan@umn.edu; Himmetoglu, Burak

2016-07-15

Annular dark field scanning transmission electron microscopy (ADF-STEM) image simulations were performed for zone-axis-oriented light-element single crystals, using a multislice method adapted to include charge redistribution due to chemical bonding. Examination of these image simulations alongside calculations of the propagation of the focused electron probe reveal that the evolution of the probe intensity with thickness exhibits significant sensitivity to interatomic charge transfer, accounting for observed thickness-dependent bonding sensitivity of contrast in all ADF-STEM imaging conditions. Because changes in image contrast relative to conventional neutral atom simulations scale directly with the net interatomic charge transfer, the strongest effects are seen inmore » crystals with highly polar bonding, while no effects are seen for nonpolar bonding. Although the bonding dependence of ADF-STEM image contrast varies with detector geometry, imaging parameters, and material temperature, these simulations predict the bonding effects to be experimentally measureable.« less

Identification of active sources inside cavities using the equivalent source method-based free-field recovery technique

NASA Astrophysics Data System (ADS)

Bi, Chuan-Xing; Hu, Ding-Yu; Zhang, Yong-Bin; Jing, Wen-Qian

2015-06-01

In previous studies, an equivalent source method (ESM)-based technique for recovering the free sound field in a noisy environment has been successfully applied to exterior problems. In order to evaluate its performance when applied to a more general noisy environment, that technique is used to identify active sources inside cavities where the sound field is composed of the field radiated by active sources and that reflected by walls. A patch approach with two semi-closed surfaces covering the target active sources is presented to perform the measurements, and the field that would be radiated by these target active sources into free space is extracted from the mixed field by using the proposed technique, which will be further used as the input of nearfield acoustic holography for source identification. Simulation and experimental results validate the effectiveness of the proposed technique for source identification in cavities, and show the feasibility of performing the measurements with a double layer planar array.

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

NASA Astrophysics Data System (ADS)

Xu, Yue; Zhao, Tingchen; Li, Ding

2018-01-01

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

Development of a prototype of the tele-localisation system in radiotherapy using personal digital assistant via wireless communication.

PubMed

Wu, Vincent Wing-Cheung; Tang, Fuk-hay; Cheung, Wai-kwan; Chan, Kit-chi

2013-02-01

In localisation of radiotherapy treatment field, the oncologist is present at the simulator to approve treatment details produced by the therapist. Problems may arise if the oncologist is not available and the patient requires urgent treatment. The development of a tele-localisation system is a potential solution, where the oncologist uses a personal digital assistant (PDA) to localise the treatment field on the image sent from the simulator through wireless communication and returns the information to the therapist after his or her approval. Our team developed the first tele-localisation prototype, which consisted of a server workstation (simulator) for the administration of digital imaging and communication in medicine localisation images including viewing and communication with the PDA via a Wi-Fi network; a PDA (oncologist's site) installed with the custom-built programme that synchronises with the server workstation and performs treatment field editing. Trial tests on accuracy and speed of the prototype system were conducted on 30 subjects with the treatment regions covering the neck, skull, chest and pelvis. The average time required in performing the localisation using the PDA was less than 1.5 min, with the blocked field longer than the open field. The transmission speed of the four treatment regions was similar. The average physical distortion of the images was within 4.4% and the accuracy of field size indication was within 5.3%. Compared with the manual method, the tele-localisation system presented with an average deviation of 5.5%. The prototype system fulfilled the planned objectives of tele-localisation procedure with reasonable speed and accuracy. © 2012 The Authors. Journal of Medical Imaging and Radiation Oncology © 2012 The Royal Australian and New Zealand College of Radiologists.

Chiral phase transition of three flavor QCD with nonzero magnetic field using standard staggered fermions

NASA Astrophysics Data System (ADS)

Tomiya, Akio; Ding, Heng-Tong; Mukherjee, Swagato; Schmidt, Christian; Wang, Xiao-Dan

2018-03-01

Lattice simulations for (2+1)-flavor QCD with external magnetic field demon-strated that the quark mass is one of the important parameters responsible for the (inverse) magnetic catalysis. We discuss the dependences of chiral condensates and susceptibilities, the Polyakov loop on the magnetic field and quark mass in three degenerate flavor QCD. The lattice simulations are performed using standard staggered fermions and the plaquette action with spatial sizes Nσ = 16 and 24 and a fixed temporal size Nτ = 4. The value of the quark masses are chosen such that the system undergoes a first order chiral phase transition and crossover with zero magnetic field. We find that in light mass regime, the quark chiral condensate undergoes magnetic catalysis in the whole temperature region and the phase transition tend to become stronger as the magnetic field increases. In crossover regime, deconfinement transition temperature is shifted by the magnetic field when quark mass ma is less than 0:4. The lattice cutoff effects are also discussed.

Direct writing of room temperature and zero field skyrmion lattices by a scanning local magnetic field

NASA Astrophysics Data System (ADS)

Zhang, Senfu; Zhang, Junwei; Zhang, Qiang; Barton, Craig; Neu, Volker; Zhao, Yuelei; Hou, Zhipeng; Wen, Yan; Gong, Chen; Kazakova, Olga; Wang, Wenhong; Peng, Yong; Garanin, Dmitry A.; Chudnovsky, Eugene M.; Zhang, Xixiang

2018-03-01

Magnetic skyrmions are topologically protected nanoscale spin textures exhibiting fascinating physical behaviors. Recent observations of room temperature skyrmions in sputtered multilayer films are an important step towards their use in ultra-low power devices. Such practical applications prefer skyrmions to be stable at zero magnetic fields and room temperature. Here, we report the creation of skyrmion lattices in Pt/Co/Ta multilayers by a scanning local field using magnetic force microscopy tips. We also show that those newly created skyrmion lattices are stable at both room temperature and zero fields. Lorentz transmission electron microscopy measurements reveal that the skyrmions in our films are of Néel-type. To gain a deeper understanding of the mechanism behind the creation of a skyrmion lattice by the scanning of local fields, we perform micromagnetic simulations and find the experimental results to be in agreement with our simulation data. This study opens another avenue for the creation of skyrmion lattices in thin films.

Coupled circuit numerical analysis of eddy currents in an open MRI system.

PubMed

Akram, Md Shahadat Hossain; Terada, Yasuhiko; Keiichiro, Ishi; Kose, Katsumi

2014-08-01

We performed a new coupled circuit numerical simulation of eddy currents in an open compact magnetic resonance imaging (MRI) system. Following the coupled circuit approach, the conducting structures were divided into subdomains along the length (or width) and the thickness, and by implementing coupled circuit concepts we have simulated transient responses of eddy currents for subdomains in different locations. We implemented the Eigen matrix technique to solve the network of coupled differential equations to speed up our simulation program. On the other hand, to compute the coupling relations between the biplanar gradient coil and any other conducting structure, we implemented the solid angle form of Ampere's law. We have also calculated the solid angle for three dimensions to compute inductive couplings in any subdomain of the conducting structures. Details of the temporal and spatial distribution of the eddy currents were then implemented in the secondary magnetic field calculation by the Biot-Savart law. In a desktop computer (Programming platform: Wolfram Mathematica 8.0®, Processor: Intel(R) Core(TM)2 Duo E7500 @ 2.93GHz; OS: Windows 7 Professional; Memory (RAM): 4.00GB), it took less than 3min to simulate the entire calculation of eddy currents and fields, and approximately 6min for X-gradient coil. The results are given in the time-space domain for both the direct and the cross-terms of the eddy current magnetic fields generated by the Z-gradient coil. We have also conducted free induction decay (FID) experiments of eddy fields using a nuclear magnetic resonance (NMR) probe to verify our simulation results. The simulation results were found to be in good agreement with the experimental results. In this study we have also conducted simulations for transient and spatial responses of secondary magnetic field induced by X-gradient coil. Our approach is fast and has much less computational complexity than the conventional electromagnetic numerical simulation methods. Copyright © 2014 Elsevier Inc. All rights reserved.

Meta-analysis of correlations revisited: attempted replication and extension of Field's (2001) simulation studies.

PubMed

Hafdahl, Adam R; Williams, Michelle A

2009-03-01

In 2 Monte Carlo studies of fixed- and random-effects meta-analysis for correlations, A. P. Field (2001) ostensibly evaluated Hedges-Olkin-Vevea Fisher-z and Schmidt-Hunter Pearson-r estimators and tests in 120 conditions. Some authors have cited those results as evidence not to meta-analyze Fisher-z correlations, especially with heterogeneous correlation parameters. The present attempt to replicate Field's simulations included comparisons with analytic values as well as results for efficiency and confidence-interval coverage. Field's results under homogeneity were mostly replicable, but those under heterogeneity were not: The latter exhibited up to over .17 more bias than ours and, for tests of the mean correlation and homogeneity, respectively, nonnull rejection rates up to .60 lower and .65 higher. Changes to Field's observations and conclusions are recommended, and practical guidance is offered regarding simulation evidence and choices among methods. Most cautions about poor performance of Fisher-z methods are largely unfounded, especially with a more appropriate z-to-r transformation. The Appendix gives a computer program for obtaining Pearson-r moments from a normal Fisher-z distribution, which is used to demonstrate distortion due to direct z-to-r transformation of a mean Fisher-z correlation.

First Lunar Wake Passage of ARTEMIS: Discrimination of Wake Effects and Solar Wind Fluctuations by 3D Hybrid Simulations

NASA Technical Reports Server (NTRS)

Wiehle, S.; Plaschke, F.; Motschmann, U.; Glassmeier, K. H.; Auster, H. U.; Angelopoulos, V.; Mueller, J.; Kriegel, H.; Georgescu, E.; Halekas, J.;

Vacuum Magnetic Field Mapping of the Compact Toroidal Hybrid (CTH)

NASA Astrophysics Data System (ADS)

Peterson, J. T.; Hanson, J.; Hartwell, G. J.; Knowlton, S. F.; Montgomery, C.; Munoz, J.

2007-11-01

Vacuum magnetic field mapping experiments are performed on the CTH torsatron with a movable electron gun and phosphor-coated screen or movable wand at two different toroidal locations. These experiments compare the experimentally measured magnetic configuration produced by the as-built coil set, to the magnetic configuration simulated with the IFT Biot-Savart code using the measured coil set parameters. Efforts to minimize differences between the experimentally measured location of the magnetic axis and its predicted value utilizing a Singular Value Decomposition (SVD) process result in small modifications of the helical coil winding law used to model the vacuum magnetic field geometry of CTH. Because these studies are performed at relatively low fields B = 0.01 - 0.05 T, a uniform ambient magnetic field is included in the minimization procedure.

Electrical Characteristics of Simulated Tornadoes and Dust Devils

NASA Technical Reports Server (NTRS)

Zimmerman, Michael I.; Farrell, William M.; Barth, E. L.; Lewellen, W. S.; Perlongo, N. J.; Jackson, T. L.

2012-01-01

It is well known that tornadoes and dust devils have the ability to accumulate significant, visible clouds of debris. Collisions between sand-like debris species produce different electric charges on different types of grains, which convect along different trajectories around the vortex. Thus, significant charge separations and electric currents are possible, which as the vortex fluctuates over time are thought to produce ULF radiation signatures that have been measured in the field. These electric and magnetic fields may contain valuable information about tornado structure and genesis, and may be critical in driving electrochemical processes within dust devils on Mars. In the present work, existing large eddy simulations of debris-laden tornadoes performed at West Virginia University are coupled with a new debris-charging and advection code developed at Goddard Space Flight Center to investigate the detailed (meter-resolution) fluid-dynamic origins of electromagnetic fields within terrestrial vortices. First results are presented, including simulations of the electric and magnetic fields that would be observed by a near-surface, instrument-laden probe during a direct encounter with a tornado.

Investigation of maximum local specific absorption rate in 7 T magnetic resonance with respect to load size by use of electromagnetic simulations.

PubMed

Tiberi, Gianluigi; Fontana, Nunzia; Costagli, Mauro; Stara, Riccardo; Biagi, Laura; Symms, Mark Roger; Monorchio, Agostino; Retico, Alessandra; Cosottini, Mirco; Tosetti, Michela

2015-07-01

Local specific absorption rate (SAR) evaluation in ultra high field (UHF) magnetic resonance (MR) systems is a major concern. In fact, at UHF, radiofrequency (RF) field inhomogeneity generates hot-spots that could cause localized tissue heating. Unfortunately, local SAR measurements are not available in present MR systems; thus, electromagnetic simulations must be performed for RF fields and SAR analysis. In this study, we used three-dimensional full-wave numerical electromagnetic simulations to investigate the dependence of local SAR at 7.0 T with respect to subject size in two different scenarios: surface coil loaded by adult and child calves and quadrature volume coil loaded by adult and child heads. In the surface coil scenario, maximum local SAR decreased with decreasing load size, provided that the RF magnetic fields for the different load sizes were scaled to achieve the same slice average value. On the contrary, in the volume coil scenario, maximum local SAR was up to 15% higher in children than in adults. © 2015 Wiley Periodicals, Inc.

Theoretical framework for quantitatively estimating ultrasound beam intensities using infrared thermography.

PubMed

Myers, Matthew R; Giridhar, Dushyanth

2011-06-01

In the characterization of high-intensity focused ultrasound (HIFU) systems, it is desirable to know the intensity field within a tissue phantom. Infrared (IR) thermography is a potentially useful method for inferring this intensity field from the heating pattern within the phantom. However, IR measurements require an air layer between the phantom and the camera, making inferences about the thermal field in the absence of the air complicated. For example, convection currents can arise in the air layer and distort the measurements relative to the phantom-only situation. Quantitative predictions of intensity fields based upon IR temperature data are also complicated by axial and radial diffusion of heat. In this paper, mathematical expressions are derived for use with IR temperature data acquired at times long enough that noise is a relatively small fraction of the temperature trace, but small enough that convection currents have not yet developed. The relations were applied to simulated IR data sets derived from computed pressure and temperature fields. The simulation was performed in a finite-element geometry involving a HIFU transducer sonicating upward in a phantom toward an air interface, with an IR camera mounted atop an air layer, looking down at the heated interface. It was found that, when compared to the intensity field determined directly from acoustic propagation simulations, intensity profiles could be obtained from the simulated IR temperature data with an accuracy of better than 10%, at pre-focal, focal, and post-focal locations. © 2011 Acoustical Society of America

Numerical Investigation of Plasma Detachment in Magnetic Nozzle Experiments

NASA Technical Reports Server (NTRS)

Sankaran, Kamesh; Polzin, Kurt A.

2008-01-01

At present there exists no generally accepted theoretical model that provides a consistent physical explanation of plasma detachment from an externally-imposed magnetic nozzle. To make progress towards that end, simulation of plasma flow in the magnetic nozzle of an arcjet experiment is performed using a multidimensional numerical simulation tool that includes theoretical models of the various dispersive and dissipative processes present in the plasma. This is an extension of the simulation tool employed in previous work by Sankaran et al. The aim is to compare the computational results with various proposed magnetic nozzle detachment theories to develop an understanding of the physical mechanisms that cause detachment. An applied magnetic field topology is obtained using a magnetostatic field solver (see Fig. I), and this field is superimposed on the time-dependent magnetic field induced in the plasma to provide a self-consistent field description. The applied magnetic field and model geometry match those found in experiments by Kuriki and Okada. This geometry is modeled because there is a substantial amount of experimental data that can be compared to the computational results, allowing for validation of the model. In addition, comparison of the simulation results with the experimentally obtained plasma parameters will provide insight into the mechanisms that lead to plasma detachment, revealing how they scale with different input parameters. Further studies will focus on modeling literature experiments both for the purpose of additional code validation and to extract physical insight regarding the mechanisms driving detachment.

Calibration and Validation of the Precision Nitrogen Management Tool for Artificially Drained Fields Under Maize

NASA Astrophysics Data System (ADS)

Marjerison, R.; Hutson, J.; Melkonian, J.; van Es, H.; Sela, S.

2015-12-01

Organic and inorganic fertilizer additions to agricultural fields can lead to soil nitrogen (N) levels in excess of those required for optimal crop growth. The primary loss pathways for this excess N are leaching and denitrification. Nitrate leaching from agricultural sources contributes to the formation of hypoxic zones in critical estuarine systems including the Chesapeake Bay and Gulf of Mexico. Denitrification can lead to the production of nitrous oxide (N2O), a potent greenhouse gas. Agricultural practices such as controlling the timing and location of fertilizer application can help reduce these losses. The Precision Nitrogen Management (PNM) model was developed to simulate water transport, nitrogen transformations and transport, and crop growth and nutrient uptake from agricultural fields. The PNM model allows for the prediction of N losses under a variety of crop and management scenarios. Recent improvements to the model include the option to simulate artificially drained fields. The model performs well in simulating drainage and nitrate leaching when compared to measured data from field studies in artificially drained soils in New York and Minnesota. A simulated N budget was compared to available data. The improved model will be used to assess different management options for reducing N losses in maize production under different climate projections for key maize production locations/systems in the U.S.

Toward optimized potential functions for protein-protein interactions in aqueous solutions: osmotic second virial coefficient calculations using the MARTINI coarse-grained force field

PubMed Central

Stark, Austin C.; Andrews, Casey T.

2013-01-01

Coarse-grained (CG) simulation methods are now widely used to model the structure and dynamics of large biomolecular systems. One important issue for using such methods – especially with regard to using them to model, for example, intracellular environments – is to demonstrate that they can reproduce experimental data on the thermodynamics of protein-protein interactions in aqueous solutions. To examine this issue, we describe here simulations performed using the popular coarse-grained MARTINI force field, aimed at computing the thermodynamics of lysozyme and chymotrypsinogen self-interactions in aqueous solution. Using molecular dynamics simulations to compute potentials of mean force between a pair of protein molecules, we show that the original parameterization of the MARTINI force field is likely to significantly overestimate the strength of protein-protein interactions to the extent that the computed osmotic second virial coefficients are orders of magnitude more negative than experimental estimates. We then show that a simple down-scaling of the van der Waals parameters that describe the interactions between protein pseudo-atoms can bring the simulated thermodynamics into much closer agreement with experiment. Overall, the work shows that it is feasible to test explicit-solvent CG force fields directly against thermodynamic data for proteins in aqueous solutions, and highlights the potential usefulness of osmotic second virial coefficient measurements for fully parameterizing such force fields. PMID:24223529

Toward optimized potential functions for protein-protein interactions in aqueous solutions: osmotic second virial coefficient calculations using the MARTINI coarse-grained force field.

PubMed

Stark, Austin C; Andrews, Casey T; Elcock, Adrian H

2013-09-10

Coarse-grained (CG) simulation methods are now widely used to model the structure and dynamics of large biomolecular systems. One important issue for using such methods - especially with regard to using them to model, for example, intracellular environments - is to demonstrate that they can reproduce experimental data on the thermodynamics of protein-protein interactions in aqueous solutions. To examine this issue, we describe here simulations performed using the popular coarse-grained MARTINI force field, aimed at computing the thermodynamics of lysozyme and chymotrypsinogen self-interactions in aqueous solution. Using molecular dynamics simulations to compute potentials of mean force between a pair of protein molecules, we show that the original parameterization of the MARTINI force field is likely to significantly overestimate the strength of protein-protein interactions to the extent that the computed osmotic second virial coefficients are orders of magnitude more negative than experimental estimates. We then show that a simple down-scaling of the van der Waals parameters that describe the interactions between protein pseudo-atoms can bring the simulated thermodynamics into much closer agreement with experiment. Overall, the work shows that it is feasible to test explicit-solvent CG force fields directly against thermodynamic data for proteins in aqueous solutions, and highlights the potential usefulness of osmotic second virial coefficient measurements for fully parameterizing such force fields.

Numerical modeling of the SNS H{sup −} ion source

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

Veitzer, Seth A.; Beckwith, Kristian R. C.; Kundrapu, Madhusudhan

Ion source rf antennas that produce H- ions can fail when plasma heating causes ablation of the insulating coating due to small structural defects such as cracks. Reducing antenna failures that reduce the operating capabilities of the Spallation Neutron Source (SNS) accelerator is one of the top priorities of the SNS H- Source Program at ORNL. Numerical modeling of ion sources can provide techniques for optimizing design in order to reduce antenna failures. There are a number of difficulties in developing accurate models of rf inductive plasmas. First, a large range of spatial and temporal scales must be resolved inmore » order to accurately capture the physics of plasma motion, including the Debye length, rf frequencies on the order of tens of MHz, simulation time scales of many hundreds of rf periods, large device sizes on tens of cm, and ion motions that are thousands of times slower than electrons. This results in large simulation domains with many computational cells for solving plasma and electromagnetic equations, short time steps, and long-duration simulations. In order to reduce the computational requirements, one can develop implicit models for both fields and particle motions (e.g. divergence-preserving ADI methods), various electrostatic models, or magnetohydrodynamic models. We have performed simulations using all three of these methods and have found that fluid models have the greatest potential for giving accurate solutions while still being fast enough to perform long timescale simulations in a reasonable amount of time. We have implemented a number of fluid models with electromagnetics using the simulation tool USim and applied them to modeling the SNS H- ion source. We found that a reduced, single-fluid MHD model with an imposed magnetic field due to the rf antenna current and the confining multi-cusp field generated increased bulk plasma velocities of > 200 m/s in the region of the antenna where ablation is often observed in the SNS source. We report here on comparisons of simulated plasma parameters and code performance using more accurate physical models, such as two-temperature extended MHD models, for both a related benchmark system describing a inductively coupled plasma reactor, and for the SNS ion source. We also present results from scaling studies for mesh generation and solvers in the USim simulation code.« less

Numerical simulation of tornado wind loading on structures

NASA Technical Reports Server (NTRS)

Maiden, D. E.

1976-01-01

A numerical simulation of a tornado interacting with a building was undertaken in order to compare the pressures due to a rotational unsteady wind with that due to steady straight winds used in design of nuclear facilities. The numerical simulations were performed on a two-dimensional compressible hydrodynamics code. Calculated pressure profiles for a typical building were then subjected to a tornado wind field and the results were compared with current quasisteady design calculations. The analysis indicates that current design practices are conservative.

Simulations of laser undulators

NASA Astrophysics Data System (ADS)

Milton, S. V.; Biedron, S. B.; Einstein, J. E.

2016-09-01

We perform a series of single-pass, one-D free-electron laser simulations based on an electron beam from a standard linear accelerator coupled with a so-called laser undulator, a specialized device that is more compact than a standard undulator based on magnetic materials. The longitudinal field profiles of such lasers undulators are intriguing as one must and can tailor the profile for the needs of creating the virtual undulator. We present and discuss several results of recent simulations and our future steps.