Providing Interactive Access to Cave Geology for All Students, Regardless of Physical Ability

NASA Astrophysics Data System (ADS)

Atchison, C. `; Stredney, D.; Hittle, B.; Irving, K.; Toomey, R. S., III; Lemon, N. N.; Price, A.; Kerwin, T.

2013-12-01

Based on an identified need to accommodate students with mobility impairments in field-based instructional experiences, this presentation will discuss current efforts to promote participation, broaden diversity, and impart a historical perspective in the geosciences through the use of an interactive virtual environment. Developed through the integration of emerging simulation technologies, this prototypical virtual environment is created from LIDAR data of the Historic Tour route of Mammoth Cave National Park. The educational objectives of the simulation focus on four primary locations within the tour route that provide evidence of the hydrologic impact on the cave and karst formation. The overall objective is to provide a rich experience of a geological field-based learning for all students, regardless of their physical abilities. Employing a virtual environment that interchangeably uses two and three-dimensional representation of geoscience content, this synthetic field-based cave and karst module will provide an opportunity to assess the effectiveness in engaging the student community, and its efficacy in the curriculum when used as an alternative representation of a traditional field experience. The expected outcome is that based on the level of interactivity, the simulated environment will provide adequate pedagogical representation for content transfer without the need for physical experience in the uncontrolled field environment. Additionally, creating such an environment will impact all able-bodied students by providing supplemental resources that can both precede a traditional field experience and allow for students to re-examine a field site long after a the field experience, in both current formal and informal educational settings.

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.

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.

Morphologies of Primary Silicon in Hypereutectic Al-Si Alloys: Phase-Field Simulation Supported by Key Experiments

NASA Astrophysics Data System (ADS)

Wang, Kai; Wei, Ming; Zhang, Lijun; Du, Yong

2016-04-01

We realized a three-dimensional visualization of the morphology evolution and the growth behavior of the octahedral primary silicon in hypereutectic Al-20wtpctSi alloy during solidification in a real length scale by utilizing the phase-field simulation coupled with CALPHAD databases, and supported by key experiments. Moreover, through two-dimensional cut of the octahedral primary silicon at random angles, different morphologies observed in experiments, including triangle, square, trapezoid, rhombic, pentagon, and hexagon, were well reproduced.

Incorporating field wind data into FIRETEC simulations of the International Crown Fire Modeling Experiment (ICFME): preliminary lessons learned

Treesearch

Rodman Linn; Kerry Anderson; Judith Winterkamp; Alyssa Broos; Michael Wotton; Jean-Luc Dupuy; Francois Pimont; Carleton Edminster

2012-01-01

Field experiments are one way to develop or validate wildland fire-behavior models. It is important to consider the implications of assumptions relating to the locality of measurements with respect to the fire, the temporal frequency of the measured data, and the changes to local winds that might be caused by the experimental configuration. Twenty FIRETEC simulations...

Characteristic of Secondary Flow Caused by Local Density Change in Standing Acoustic Fields

NASA Astrophysics Data System (ADS)

Tonsho, Kazuyuki; Hirosawa, Takuya; Kusakawa, Hiroshi; Kuwahara, Takuo; Tanabe, Mitsuaki

Secondary flow is a flow which is caused by the interference between standing acoustic fields and local density change. The behavior of the secondary flow depends on the location of the given local density change in the standing acoustic fields. When the density change is given at the middle of a velocity node and the neighboring velocity anti-node (middle point) or when it is given at the velocity anti-node in standing acoustic fields, the secondary flow shows particular behavior. Characteristic of the secondary flow at the two positions was predicted by numerical simulations. It was examined from these simulations whether the driving mechanism of the flow can be explained by the kind of acoustic radiation force that has been proposed so far. The predicted secondary flow was verified by experiments. For both the simulations and experiments, the standing acoustic fields generated in a cylinder are employed. In the experiments, the acoustic fields are generated by two loud speakers that are vibrated in same phase in a chamber. The employed resonance frequency is about 1000 Hz. The chamber is filled with air of room temperature and atmospheric pressure. In the numerical simulations and experiments, the local density change is given by heating or cooling. Because the secondary flow is influenced by buoyancy, the numerical simulations were done without taking gravity force into account and a part of the experiments were done by the microgravity condition using a drop tower. As a result of the simulations, at the middle point, the heated air was blown toward the node and the cooled air was blown toward the anti-node. It is clarified that the secondary flow is driven by the expected kind of acoustic radiation force. At the anti-node, both the heated and cooled air expands perpendicular to the traveling direction of the sound wave. The driving mechanism of the secondary flow can not be explained by the acoustic radiation force, and a detailed analysis is done. Through the comparison between experimental and numerical results, it was verified that the secondary flow is qualitatively predictable by the numerical simulations.

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.

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.

Assessment of CFD Estimation of Aerodynamic Characteristics of Basic Reusable Rocket Configurations

NASA Astrophysics Data System (ADS)

Fujimoto, Keiichiro; Fujii, Kozo

Flow-fields around the basic SSTO-rocket configurations are numerically simulated by the Reynolds-averaged Navier-Stokes (RANS) computations. Simulations of the Apollo-like configuration is first carried out, where the results are compared with NASA experiments and the prediction ability of the RANS simulation is discussed. The angle of attack of the freestream ranges from 0° to 180° and the freestream Mach number ranges from 0.7 to 2.0. Computed aerodynamic coefficients for the Apollo-like configuration agree well with the experiments under a wide range of flow conditions. The flow simulations around the slender Apollo-type configuration are carried out next and the results are compared with the experiments. Computed aerodynamic coefficients also agree well with the experiments. Flow-fields are dominated by the three-dimensional massively separated flow, which should be captured for accurate aerodynamic prediction. Grid refinement effects on the computed aerodynamic coefficients are investigated comprehensively.

How well do force fields capture the strength of salt bridges in proteins?

PubMed Central

Ahmed, Mustapha Carab; Papaleo, Elena

2018-01-01

Salt bridges form between pairs of ionisable residues in close proximity and are important interactions in proteins. While salt bridges are known to be important both for protein stability, recognition and regulation, we still do not have fully accurate predictive models to assess the energetic contributions of salt bridges. Molecular dynamics simulation is one technique that may be used study the complex relationship between structure, solvation and energetics of salt bridges, but the accuracy of such simulations depends on the force field used. We have used NMR data on the B1 domain of protein G (GB1) to benchmark molecular dynamics simulations. Using enhanced sampling simulations, we calculated the free energy of forming a salt bridge for three possible lysine-carboxylate ionic interactions in GB1. The NMR experiments showed that these interactions are either not formed, or only very weakly formed, in solution. In contrast, we show that the stability of the salt bridges is overestimated, to different extents, in simulations of GB1 using seven out of eight commonly used combinations of fixed charge force fields and water models. We also find that the Amber ff15ipq force field gives rise to weaker salt bridges in good agreement with the NMR experiments. We conclude that many force fields appear to overstabilize these ionic interactions, and that further work may be needed to refine our ability to model quantitatively the stability of salt bridges through simulations. We also suggest that comparisons between NMR experiments and simulations will play a crucial role in furthering our understanding of this important interaction.

Analysis and Simulation of Far-Field Seismic Data from the Source Physics Experiment

DTIC Science & Technology

2012-09-01

ANALYSIS AND SIMULATION OF FAR-FIELD SEISMIC DATA FROM THE SOURCE PHYSICS EXPERIMENT Arben Pitarka, Robert J. Mellors, Arthur J. Rodgers, Sean...Security Site (NNSS) provides new data for investigating the excitation and propagation of seismic waves generated by buried explosions. A particular... seismic model. The 3D seismic model includes surface topography. It is based on regional geological data, with material properties constrained by shallow

Matching time and spatial scales of rapid solidification: dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

NASA Astrophysics Data System (ADS)

Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.; Fattebert, Jean-Luc; McKeown, Joseph T.

2018-01-01

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu-Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid-liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu-Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying from ˜0.1 to ˜0.6 m s-1. After an ‘incubation’ time, the velocity of the planar solid-liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Finally, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid-liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).

Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

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

Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu–Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid–liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu–Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying frommore » ~0.1 to ~0.6 m s –1. After an 'incubation' time, the velocity of the planar solid–liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Lastly, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid–liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).« less

Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

DOE PAGES

Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.; ...

2017-12-05

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu–Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid–liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu–Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying frommore » ~0.1 to ~0.6 m s –1. After an 'incubation' time, the velocity of the planar solid–liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Lastly, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid–liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).« less

Paul Trap Simulator Experiment (PTSX) to simulate intense beam propagation through a periodic focusing quadrupole field

NASA Astrophysics Data System (ADS)

Davidson, Ronald C.; Efthimion, Philip C.; Gilson, Erik; Majeski, Richard; Qin, Hong

2002-01-01

The Paul Trap Simulator Experiment (PTSX) is under construction at the Princeton Plasma Physics Laboratory to simulate intense beam propagation through a periodic quadrupole magnetic field. In the Paul trap configuration, a long nonneutral plasma column is confined axially by dc voltages on end cylinders at z=+L and z=-L, and transverse confinement is provided by segmented cylindrical electrodes with applied oscillatory voltages ±V0(t) over 90° segments. Because the transverse focusing force is similar in waveform to that produced by a discrete set of periodic quadrupole magnets in a frame moving with the beam, the Paul trap configuration offers the possibility of simulating intense beam propagation in a compact laboratory facility. The experimental layout is described, together with the planned experiments to study beam mismatch, envelope instabilities, halo particle production, and collective wave excitations.

Numerical modeling of laser-driven experiments aiming to demonstrate magnetic field amplification via turbulent dynamo

DOE PAGES

Tzeferacos, Petros; Rigby, A.; Bott, A.; ...

2017-03-22

The universe is permeated by magnetic fields, with strengths ranging from a femtogauss in the voids between the filaments of galaxy clusters to several teragauss in black holes and neutron stars. The standard model behind cosmological magnetic fields is the nonlinear amplification of seed fields via turbulent dynamo to the values observed. We have conceived experiments that aim to demonstrate and study the turbulent dynamo mechanism in the laboratory. Here, we describe the design of these experiments through simulation campaigns using FLASH, a highly capable radiation magnetohydrodynamics code that we have developed, and large-scale three-dimensional simulations on the Mira supercomputermore » at the Argonne National Laboratory. The simulation results indicate that the experimental platform may be capable of reaching a turbulent plasma state and determining the dynamo amplification. As a result, we validate and compare our numerical results with a small subset of experimental data using synthetic diagnostics.« less

Experiments to trap dust particles by a wire simulating an electron beam

NASA Astrophysics Data System (ADS)

Saeki, Hiroshi; Momose, Takashi; Ishimaru, Hajime

1991-11-01

Motion of trapped dust particles has been previously analyzed using high-energy bremsstrahlung data obtained during dust trapping in the TRISTAN accumulation ring. Because it is difficult to observe the actual motions of dust particles trapped in an electron beam due to the strong synchrotron light background, we carried out experiments to trap sample dust particles with a Cu wire simulating an electron beam. A negative potential was slowly applied to the wire using a high voltage dc power supply. Motions of dust particles trapped by the wire were recorded with a video camera system. In an experiment using a Cu wire (1.5 mm in diameter) with no magnetic field, the charged dust particle made vertical oscillation about the wire. In another experiment using the same wire but with a vertical magnetic field (0.135 T) simulating a bending magnetic field, both vertical and horizontal oscillating motions perpendicular to the wire were observed. Furthermore, it was found that the dust particle moved in the longitudinal direction of the wire in the bending magnetic field. Therefore, it is expected that charged dust particles trapped by the electric field of the electron beam oscillate vertically where there is no magnetic field in the TRISTAN accumulation ring. It is also expected that trapped dust particles where there is a bending magnetic field oscillate horizontally and vertically as the particle drifts in a longitudinal direction along the ring.

Adaptive Language Games with Robots

NASA Astrophysics Data System (ADS)

Steels, Luc

2010-11-01

This paper surveys recent research into language evolution using computer simulations and robotic experiments. This field has made tremendous progress in the past decade going from simple simulations of lexicon formation with animallike cybernetic robots to sophisticated grammatical experiments with humanoid robots.

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.

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.

Active Response Gravity Offload and Method

NASA Technical Reports Server (NTRS)

Dungan, Larry K. (Inventor); Lieberman, Asher P. (Inventor); Shy, Cecil (Inventor); Bankieris, Derek R. (Inventor); Valle, Paul S. (Inventor); Redden, Lee (Inventor)

2015-01-01

A variable gravity field simulator can be utilized to provide three dimensional simulations for simulated gravity fields selectively ranging from Moon, Mars, and micro-gravity environments and/or other selectable gravity fields. The gravity field simulator utilizes a horizontally moveable carriage with a cable extending from a hoist. The cable can be attached to a load which experiences the effects of the simulated gravity environment. The load can be a human being or robot that makes movements that induce swinging of the cable whereby a horizontal control system reduces swinging energy. A vertical control system uses a non-linear feedback filter to remove noise from a load sensor that is in the same frequency range as signals from the load sensor.

The Hot Serial Cereal Experiment for modeling wheat response to temperature: field experiments and AgMIP-Wheat multi-model simulations

USDA-ARS?s Scientific Manuscript database

The data set reported here includes the part of a Hot Serial Cereal Experiment (HSC) experiment recently used in the AgMIP-Wheat project to analyze the uncertainty of 30 wheat models and quantify their response to temperature. The HSC experiment was conducted in an open-field in a semiarid environme...

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.

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.

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.

Effect of Pore Topology and Accessibility on Gas Adsorption Capacity in Zeolitic-Imidazolate Frameworks: Bringing Molecular Simulation Close to Experiment

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

Babarao, Ravichandar; Dai, Sheng; Jiang, Deen

2011-01-01

When all cages are assumed to be accessible, popular force fields such as universal force field (UFF) and DREIDING dramatically overpredicted gas adsorption capacity in two widely studied zeolitic-imidazolate frameworks (ZIFs), ZIF-68 and -69. Instead of adjusting the force-field parameters to match the experiments, herein we show that when the pore topology and accessibility are correctly taken into account, simulations with the standard force fields agree very well with the experiments. Careful inspection shows that ZIF-68 and -69 have two one-dimensional channels, which are not interaccessible to gases. The small channel consists of alternating small (HPR) and medium (GME) cages,more » while the large channel comprises the large (KNO) cages. Our analysis indicates that the small channel is not accessible to gases such as CO{sub 2}. So when the cages in the small channel are intentionally blocked in our simulation, the predicted adsorption capacities of CO{sub 2}, CH{sub 4} and N{sub 2} at room temperature from standard force-field parameters for the framework show excellent agreement with the experimental results. In the case of H{sub 2}, all cages are accessible, so simulation results without cage-blocking show excellent agreement with experiment. Due to the promising potential of ZIFs in gas storage and separation, our work here shows that pore topology and accessibility should be carefully examined to understand how gases adsorb in ZIFs.« less

Simulating emissions of 1,3-dichloropropene after soil fumigation under field conditions.

PubMed

Yates, S R; Ashworth, D J

2018-04-15

Soil fumigation is an important agricultural practice used to produce many vegetable and fruit crops. However, fumigating soil can lead to atmospheric emissions which can increase risks to human and environmental health. A complete understanding of the transport, fate, and emissions of fumigants as impacted by soil and environmental processes is needed to mitigate atmospheric emissions. Five large-scale field experiments were conducted to measure emission rates for 1,3-dichloropropene (1,3-D), a soil fumigant commonly used in California. Numerical simulations of these experiments were conducted in predictive mode (i.e., no calibration) to determine if simulation could be used as a substitute for field experimentation to obtain information needed by regulators. The results show that the magnitude of the volatilization rate and the total emissions could be adequately predicted for these experiments, with the exception of a scenario where the field was periodically irrigated after fumigation. In addition, the timing of the daily peak 1,3-D emissions was not accurately predicted for these experiments due to the peak emission rates occurring during the night or early-morning hours. This study revealed that more comprehensive mathematical models (or adjustments to existing models) are needed to fully describe emissions of soil fumigants from field soils under typical agronomic conditions. Published by Elsevier B.V.

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.

Collisionless plasma interpenetration in a strong magnetic field for laboratory astrophysics experiments

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

Korneev, Ph., E-mail: korneev@theor.mephi.ru; National Research Nuclear University “MEPhI”, 115409, Moscow; D'Humières, E.

A theoretical analysis for astrophysics-oriented laser-matter interaction experiments in the presence of a strong ambient magnetic field is presented. It is shown that the plasma collision in the ambient magnetic field implies significant perturbations in the electron density and magnetic field distribution. This transient stage is difficult to observe in astrophysical phenomena, but it could be investigated in laboratory experiments. Analytic models are presented, which are supported by particles-in-cell simulations.

Coupled fluid-flow and magnetic-field simulation of the Riga dynamo experiment

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

Kenjeres, S.; Hanjalic, K.; Renaudier, S.

2006-12-15

Magnetic fields of planets, stars, and galaxies result from self-excitation in moving electroconducting fluids, also known as the dynamo effect. This phenomenon was recently experimentally confirmed in the Riga dynamo experiment [A. Gailitis et al., Phys. Rev. Lett. 84, 4365 (2000); A. Gailitis et al., Physics of Plasmas 11, 2838 (2004)], consisting of a helical motion of sodium in a long pipe followed by a straight backflow in a surrounding annular passage, which provided adequate conditions for magnetic-field self-excitation. In this paper, a first attempt to simulate computationally the Riga experiment is reported. The velocity and turbulence fields are modeledmore » by a finite-volume Navier-Stokes solver using a Reynolds-averaged-Navier-Stokes turbulence model. The magnetic field is computed by an Adams-Bashforth finite-difference solver. The coupling of the two computational codes, although performed sequentially, provides an improved understanding of the interaction between the fluid velocity and magnetic fields in the saturation regime of the Riga dynamo experiment under realistic working conditions.« less

Scientific results and lessons learned from an integrated crewed Mars exploration simulation at the Rio Tinto Mars analogue site

NASA Astrophysics Data System (ADS)

Orgel, Csilla; Kereszturi, Ákos; Váczi, Tamás; Groemer, Gernot; Sattler, Birgit

2014-02-01

Between 15 and 25 April 2011 in the framework of the PolAres programme of the Austrian Space Forum, a five-day field test of the Aouda.X spacesuit simulator was conducted at the Rio Tinto Mars-analogue site in southern Spain. The field crew was supported by a full-scale Mission Control Center (MCC) in Innsbruck, Austria. The field telemetry data were relayed to the MCC, enabling a Remote Science Support (RSS) team to study field data in near-real-time and adjust the flight planning in a flexible manner. We report on the experiences in the field of robotics, geophysics (Ground Penetrating Radar) and geology as well as life sciences in a simulated spaceflight operational environment. Extravehicular Activity (EVA) maps had been prepared using Google Earth and aerial images. The Rio Tinto mining area offers an excellent location for Mars analogue simulations. It is recognised as a terrestrial Mars analogue site because of the presence of jarosite and related sulphates, which have been identified by the NASA Mars Exploration Rover "Opportunity" in the El Capitan region of Meridiani Planum on Mars. The acidic, high ferric-sulphate content water of Rio Tinto is also considered as a possible analogue in astrobiology regarding the analysis of ferric sulphate related biochemical pathways and produced biomarkers. During our Mars simulation, 18 different types of soil and rock samples were collected by the spacesuit tester. The Raman results confirm the presence of minerals expected, such as jarosite, different Fe oxides and oxi-hydroxides, pyrite and complex Mg and Ca sulphates. Eight science experiments were conducted in the field. In this contribution first we list the important findings during the management and realisation of tests, and also a first summary of the scientific results. Based on these experiences suggestions for future analogue work are also summarised. We finish with recommendations for future field missions, including the preparation of the experiments, communication and data transfer - as an aid to the planning of future simulations.

Simulations of electrically induced particle structuring on spherical drop surface

NASA Astrophysics Data System (ADS)

Hu, Yi; Vlahovska, Petia; Miksis, Michael

2016-11-01

Recent experiments (Ouriemi and Vlahovska, 2014) show intriguing surface patterns when a uniform electric field is applied to a droplet covered with colloidal particles. Depending on the particle properties and the electrical field intensity, particles organize into an equatorial belt, pole-to-pole chains, or dynamic vortices. Here we present a model to simulate the collective particle dynamics, which accounts for the electrohydrodynamic flow and particle dielectrophoresis due to the non-uniformity of local electrical field. In stronger electric fields, particles are expected to undergo Quincke rotation, inducing rotating clusters through inter-particle hydrodynamical interaction. We discuss how the field intensity influences the width, orientation and periodicity of the particle clusters. Our results provide insight into the various particle assembles discovered in the experiments.

RF Priming Experiments and Simulations of Magnetic Priming in Relativistic Magnetrons

NASA Astrophysics Data System (ADS)

White, W. M.; Gilgenbach, R. M.; Jones, M. C.; Neculaes, V. B.; Lau, Y. Y.; Jordan, N.; Pengvanich, P.; Edgar, R.; Hoff, B.; Spencer, T. A.; Price, D.

2004-11-01

We investigate 2 priming techniques in relativistic magnetrons for rapid startup and mode-locking: RF priming experiments with 0.1-1 MW from a 2nd magnetron; Magnetic-priming simulations by azimuthally-varying-axial magnetic field. Experiments utilize MELBA-C with a Titan 6-vane magnetron: V = -300kV, I = 1-10kA, e-beam T = 0.5 μs, microwave power = 100-500 MW, f= 1-1.3 GHz, base vacuum= 8.5 x 10-10 Torr. The AFRL RF priming magnetron is at 0.1-2 MW, 3 μsec, 1.27-1.32 GHz. About 0.2-0.3 MW is injected into 1 of 3 open coupling slots in the relativistic magnetron. Analysis of the relativistic magnetron's microwave output shows a clear effect of RF priming. Simulations of magnetic priming in the pi-mode are run in MAGIC code by imposing N/2 azimuthal-variations in the axial magnetic field of an N-vane magnetron. Faster startup and mode-locking are simulated by rapid-electron spoke formation and excitation of RF fields.

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.

Convection Effects During Bulk Transparent Alloy Solidification in DECLIC-DSI and Phase-Field Simulations in Diffusive Conditions

NASA Astrophysics Data System (ADS)

Mota, F. L.; Song, Y.; Pereda, J.; Billia, B.; Tourret, D.; Debierre, J.-M.; Trivedi, R.; Karma, A.; Bergeon, N.

2017-08-01

To study the dynamical formation and evolution of cellular and dendritic arrays under diffusive growth conditions, three-dimensional (3D) directional solidification experiments were conducted in microgravity on a model transparent alloy onboard the International Space Station using the Directional Solidification Insert in the DEvice for the study of Critical LIquids and Crystallization. Selected experiments were repeated on Earth under gravity-driven fluid flow to evidence convection effects. Both radial and axial macrosegregation resulting from convection are observed in ground experiments, and primary spacings measured on Earth and microgravity experiments are noticeably different. The microgravity experiments provide unique benchmark data for numerical simulations of spatially extended pattern formation under diffusive growth conditions. The results of 3D phase-field simulations highlight the importance of accurately modeling thermal conditions that strongly influence the front recoil of the interface and the selection of the primary spacing. The modeling predictions are in good quantitative agreements with the microgravity experiments.

Simulations of particle structuring driven by electric fields

NASA Astrophysics Data System (ADS)

Hu, Yi; Vlahovska, Petia; Miksis, Michael

2015-11-01

Recent experiments (Ouriemi and Vlahovska, 2014) show intriguing surface patterns when a uniform electric field is applied to a droplet covered with colloidal particles. Depending on the particle properties and the electric field intensity, particles organize into an equatorial belt, pole-to-pole chains, or dynamic vortices. Here we present 3D simulations of the collective particle dynamics, which account for electrohydrodynamic flow and dielectrophoresis of particles. In stronger electric fields, particles are expected to undergo Quincke rotation and impose disturbance to the ambient flow. Transition from ribbon-shaped belt to rotating clusters is observed in the presence of the rotation-induced hydrodynamical interactions. Our results provide insight into the various particle assembles discovered in the experiments.

Pulsed field gradients in simulations of one- and two-dimensional NMR spectra.

PubMed

Meresi, G H; Cuperlovic, M; Palke, W E; Gerig, J T

1999-03-01

A method for the inclusion of the effects of z-axis pulsed field gradients in computer simulations of an arbitrary pulsed NMR experiment with spin (1/2) nuclei is described. Recognizing that the phase acquired by a coherence following the application of a z-axis pulsed field gradient bears a fixed relation to its order and the spatial position of the spins in the sample tube, the sample is regarded as a collection of volume elements, each phase-encoded by a characteristic, spatially dependent precession frequency. The evolution of the sample's density matrix is thus obtained by computing the evolution of the density matrix for each volume element. Following the last gradient pulse, these density matrices are combined to form a composite density matrix which evolves through the rest of the experiment to yield the observable signal. This approach is implemented in a program which includes capabilities for rigorous inclusion of spin relaxation by dipole-dipole, chemical shift anisotropy, and random field mechanisms, plus the effects of arbitrary RF fields. Mathematical procedures for accelerating these calculations are described. The approach is illustrated by simulations of representative one- and two-dimensional NMR experiments. Copyright 1999 Academic Press.

Elimination of the Reaction Rate "Scale Effect": Application of the Lagrangian Reactive Particle-Tracking Method to Simulate Mixing-Limited, Field-Scale Biodegradation at the Schoolcraft (MI, USA) Site

NASA Astrophysics Data System (ADS)

Ding, Dong; Benson, David A.; Fernández-Garcia, Daniel; Henri, Christopher V.; Hyndman, David W.; Phanikumar, Mantha S.; Bolster, Diogo

2017-12-01

Measured (or empirically fitted) reaction rates at groundwater remediation sites are typically much lower than those found in the same material at the batch or laboratory scale. The reduced rates are commonly attributed to poorer mixing at the larger scales. A variety of methods have been proposed to account for this scaling effect in reactive transport. In this study, we use the Lagrangian particle-tracking and reaction (PTR) method to simulate a field bioremediation experiment at the Schoolcraft, MI site. A denitrifying bacterium, Pseudomonas Stutzeri strain KC (KC), was injected to the aquifer, along with sufficient substrate, to degrade the contaminant, carbon tetrachloride (CT), under anaerobic conditions. The PTR method simulates chemical reactions through probabilistic rules of particle collisions, interactions, and transformations to address the scale effect (lower apparent reaction rates for each level of upscaling, from batch to column to field scale). In contrast to a prior Eulerian reaction model, the PTR method is able to match the field-scale experiment using the rate coefficients obtained from batch experiments.

Simulation study of the structure and phase behavior of ceramide bilayers and the role of lipid head group chemistry

PubMed Central

Guo, Shan; Moore, Timothy C.; Iacovella, Christopher R.; Strickland, L. Anderson; McCabe, Clare

2014-01-01

Ceramides are known to be a key component of the stratum corneum, the outermost protective layer of the skin that controls barrier function. In this work, molecular dynamics simulations are used to examine the behavior of ceramide bilayers, focusing on non-hydroxy sphingosine (NS) and non-hydroxy phytosphingosine (NP) ceramides. Here, we propose a modified version of the CHARMM force field for ceramide simulation, which is directly compared to the more commonly used GROMOS-based force field of Berger (Biophys. J. 1997, 72); while both force fields are shown to closely match experiment from a structural standpoint at the physiological temperature of skin, the modified CHARMM force field is better able to capture the thermotropic phase transitions observed in experiment. The role of ceramide chemistry and its impact on structural ordering is examined by comparing ceramide NS to NP, using the validated CHARMM-based force field. These simulations demonstrate that changing from ceramide NS to NP results in changes to the orientation of the OH groups in the lipid headgroups. The arrangement of OH groups perpendicular to the bilayer normal for ceramide NP, verse parallel for NS, results in the formation of a distinct hydrogen bonding network, that is ultimately responsible for shifting the gel-to-liquid phase transition to higher temperature, in direct agreement with experiment. PMID:24501589

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.

Simulation of field-induced molecular dissociation in atom-probe tomography: Identification of a neutral emission channel

NASA Astrophysics Data System (ADS)

Zanuttini, David; Blum, Ivan; Rigutti, Lorenzo; Vurpillot, François; Douady, Julie; Jacquet, Emmanuelle; Anglade, Pierre-Matthieu; Gervais, Benoit

2017-06-01

We investigate the dynamics of dicationic metal-oxide molecules under large electric-field conditions, on the basis of ab initio calculations coupled to molecular dynamics. Applied to the case of ZnO2 + in the field of atom probe tomography (APT), our simulation reveals the dissociation into three distinct exit channels. The proportions of these channels depend critically on the field strength and on the initial molecular orientation with respect to the field. For typical field strength used in APT experiments, an efficient dissociation channel leads to emission of neutral oxygen atoms, which escape detection. The calculated composition biases and their dependence on the field strength show remarkable consistency with recent APT experiments on ZnO crystals. Our work shows that bond breaking in strong static fields may lead to significant neutral atom production, and therefore to severe elemental composition biases in measurements.

A Generic Simulation Framework for Non-Entangled based Experimental Quantum Cryptography and Communication: Quantum Cryptography and Communication Simulator (QuCCs)

NASA Astrophysics Data System (ADS)

Buhari, Abudhahir; Zukarnain, Zuriati Ahmad; Khalid, Roszelinda; Zakir Dato', Wira Jaafar Ahmad

2016-11-01

The applications of quantum information science move towards bigger and better heights for the next generation technology. Especially, in the field of quantum cryptography and quantum computation, the world already witnessed various ground-breaking tangible product and promising results. Quantum cryptography is one of the mature field from quantum mechanics and already available in the markets. The current state of quantum cryptography is still under various researches in order to reach the heights of digital cryptography. The complexity of quantum cryptography is higher due to combination of hardware and software. The lack of effective simulation tool to design and analyze the quantum cryptography experiments delays the reaching distance of the success. In this paper, we propose a framework to achieve an effective non-entanglement based quantum cryptography simulation tool. We applied hybrid simulation technique i.e. discrete event, continuous event and system dynamics. We also highlight the limitations of a commercial photonic simulation tool based experiments. Finally, we discuss ideas for achieving one-stop simulation package for quantum based secure key distribution experiments. All the modules of simulation framework are viewed from the computer science perspective.

Near-Field to Far-Field Uncertainty Propagation and Quantification of Ground Motions Generated by the Source Physics Experiments (SPE)

NASA Astrophysics Data System (ADS)

Antoun, T.; Ezzedine, S. M.; Vorobiev, O.; Pitarka, A.; Hurley, R.; Hirakawa, E. T.; Glenn, L.; Walter, W. R.

2016-12-01

LLNL has developed a framework for uncertainty propagation and quantification using HPC numerical codes to simulate end-to-end, from source to receivers, the ground motions observed during the Source Physics Experiments (SPE) conducted in fractured granitic rock at the Nevada National Security Site (NNSS). SPE includes six underground chemical explosions designed with different yields initiated at different depths. To date we have successfully applied this framework to explain the near-field shear motions observed in the vicinity of SPE3 thru SPE5. However, systematic uncertainty propagation to the far-field seismic receiver has not been addressed yet. In the current study, we used a coupling between the non-linear inelastic hydrodynamic regime in the near-field and the seismic elastic regime in the far-field to conduct the analysis. Several realizations of the stochastic discrete fracture network were generated conditional to the observed sparse data. These realizations were then used to calculate the ground motions generated from the SPE shots up to the elastic radius. The latter serves as the handshake interface for the far-field simulations. By creating several realizations of near-field responses one can embed those sources into the far-field elastic wave code and further the uncertainty propagation to the receivers. We will present a full assessment from end-to-end for the near- and far-field measurements. Separate analyses of the effect of the different conceptual geological models are also carried over using a nested Monte Carlo scheme. We compare the observed frequency content at several gages with the simulated ones. We conclude that both regions experience different sampling of frequencies: small features are relevant to near-field simulations while larger feature are more dominant at the far-field. We finally rank the primary sensitive parameters for both regions to drive and refine the field characterization data collection.

Reproducible computational biology experiments with SED-ML--the Simulation Experiment Description Markup Language.

PubMed

Waltemath, Dagmar; Adams, Richard; Bergmann, Frank T; Hucka, Michael; Kolpakov, Fedor; Miller, Andrew K; Moraru, Ion I; Nickerson, David; Sahle, Sven; Snoep, Jacky L; Le Novère, Nicolas

2011-12-15

The increasing use of computational simulation experiments to inform modern biological research creates new challenges to annotate, archive, share and reproduce such experiments. The recently published Minimum Information About a Simulation Experiment (MIASE) proposes a minimal set of information that should be provided to allow the reproduction of simulation experiments among users and software tools. In this article, we present the Simulation Experiment Description Markup Language (SED-ML). SED-ML encodes in a computer-readable exchange format the information required by MIASE to enable reproduction of simulation experiments. It has been developed as a community project and it is defined in a detailed technical specification and additionally provides an XML schema. The version of SED-ML described in this publication is Level 1 Version 1. It covers the description of the most frequent type of simulation experiments in the area, namely time course simulations. SED-ML documents specify which models to use in an experiment, modifications to apply on the models before using them, which simulation procedures to run on each model, what analysis results to output, and how the results should be presented. These descriptions are independent of the underlying model implementation. SED-ML is a software-independent format for encoding the description of simulation experiments; it is not specific to particular simulation tools. Here, we demonstrate that with the growing software support for SED-ML we can effectively exchange executable simulation descriptions. With SED-ML, software can exchange simulation experiment descriptions, enabling the validation and reuse of simulation experiments in different tools. Authors of papers reporting simulation experiments can make their simulation protocols available for other scientists to reproduce the results. Because SED-ML is agnostic about exact modeling language(s) used, experiments covering models from different fields of research can be accurately described and combined.

Exploring Iconic Interpretation and Mathematics Teacher Development through Clinical Simulations

ERIC Educational Resources Information Center

Dotger, Benjamin; Masingila, Joanna; Bearkland, Mary; Dotger, Sharon

2015-01-01

Field placements serve as the traditional "clinical" experience for prospective mathematics teachers to immerse themselves in the mathematical challenges of students. This article reports data from a different type of learning experience, that of a clinical simulation with a standardized individual. We begin with a brief background on…

Turbulent Dynamo Amplification of Magnetic Fields in Laser-Produced Plasmas: Simulations and Experiments

NASA Astrophysics Data System (ADS)

Tzeferacos, P.; Rigby, A.; Bott, A.; Bell, A.; Bingham, R.; Casner, A.; Cattaneo, F.; Churazov, E.; Forest, C.; Katz, J.; Koenig, M.; Li, C.-K.; Meinecke, J.; Petrasso, R.; Park, H.-S.; Remington, B.; Ross, J.; Ryutov, D.; Ryu, D.; Reville, B.; Miniati, F.; Schekochihin, A.; Froula, D.; Lamb, D.; Gregori, G.

2017-10-01

The universe is permeated by magnetic fields, with strengths ranging from a femtogauss in the voids between the filaments of galaxy clusters to several teragauss in black holes and neutron stars. The standard model for cosmological magnetic fields is the nonlinear amplification of seed fields via turbulent dynamo. We have conceived experiments to demonstrate and study the turbulent dynamo mechanism in the laboratory. Here, we describe the design of these experiments through large-scale 3D FLASH simulations on the Mira supercomputer at ANL, and the laser-driven experiments we conducted with the OMEGA laser at LLE. Our results indicate that turbulence is capable of rapidly amplifying seed fields to near equipartition with the turbulent fluid motions. This work was supported in part from the ERC (FP7/2007-2013, No. 256973 and 247039), and the U.S. DOE, Contract No. B591485 to LLNL, FWP 57789 to ANL, Grant No. DE-NA0002724 and DE-SC0016566 to the University of Chicago, and DE-AC02-06CH11357 to ANL.

Observability of ionospheric space-time structure with ISR: A simulation study

NASA Astrophysics Data System (ADS)

Swoboda, John; Semeter, Joshua; Zettergren, Matthew; Erickson, Philip J.

2017-02-01

The sources of error from electronically steerable array (ESA) incoherent scatter radar (ISR) systems are investigated both theoretically and with use of an open-source ISR simulator, developed by the authors, called Simulator for ISR (SimISR). The main sources of error incorporated in the simulator include statistical uncertainty, which arises due to nature of the measurement mechanism and the inherent space-time ambiguity from the sensor. SimISR can take a field of plasma parameters, parameterized by time and space, and create simulated ISR data at the scattered electric field (i.e., complex receiver voltage) level, subsequently processing these data to show possible reconstructions of the original parameter field. To demonstrate general utility, we show a number of simulation examples, with two cases using data from a self-consistent multifluid transport model. Results highlight the significant influence of the forward model of the ISR process and the resulting statistical uncertainty on plasma parameter measurements and the core experiment design trade-offs that must be made when planning observations. These conclusions further underscore the utility of this class of measurement simulator as a design tool for more optimal experiment design efforts using flexible ESA class ISR systems.

Numerical modeling of the Madison Dynamo Experiment.

NASA Astrophysics Data System (ADS)

Bayliss, R. A.; Wright, J. C.; Forest, C. B.; O'Connell, R.

2002-11-01

Growth, saturation and turbulent evolution of the Madison dynamo experiment is investigated numerically using a 3-D pseudo-spectral simulation of the MHD equations; results of the simulations will be compared to results obtained from the experiment. The code, Dynamo (Fortran90), allows for full evolution of the magnetic and velocity fields. The induction equation governing B and the curl of the momentum equation governing V are separately or simultaneously solved. The code uses a spectral representation via spherical harmonic basis functions of the vector fields in longitude and latitude, and fourth order finite differences in the radial direction. The magnetic field evolution has been benchmarked against the laminar kinematic dynamo predicted by M.L. Dudley and R.W. James (M.L. Dudley and R.W. James, Time-dependent kinematic dynamos with stationary flows, Proc. R. Soc. Lond. A 425, p. 407 (1989)). Power balance in the system has been verified in both mechanically driven and perturbed hydrodynamic, kinematic, and dynamic cases. Evolution of the vacuum magnetic field has been added to facilitate comparison with the experiment. Modeling of the Madison Dynamo eXperiment will be presented.

Intrinsically Disordered Protein Specific Force Field CHARMM36IDPSFF.

PubMed

Liu, Hao; Song, Dong; Lu, Hui; Luo, Ray; Chen, Hai-Feng

2018-05-28

Intrinsically disordered proteins (IDPs) are closely related to various human diseases. Because IDPs lack certain tertiary structure, it is difficult to use X-ray and NMR methods to measure their structures. Therefore, molecular dynamics simulation is a useful tool to study the conformer distribution of IDPs. However, most generic protein force fields were found to be insufficient in simulations of IDPs. Here we report our development for the CHARMM community. Our residue-specific IDP force field (CHARMM36IDPSFF) was developed based on the base generic force field with CMAP corrections of for all 20 naturally occurring amino acids. Multiple tests show that the simulated chemical shifts with the newly developed force field are in quantitative agreement with NMR experiment and are more accurate than the base generic force field. Comparison of J-couplings with previous work shows that CHARMM36IDPSFF and its corresponding base generic force field have their own advantages. In addition, CHARMM36IDPSFF simulations also agree with experiment for SAXS profiles and radii of gyration of IDPs. Detailed analysis shows that CHARMM36IDPSFF can sample more diverse and disordered conformers. These findings confirm that the newly developed force field can improve the balance of accuracy and efficiency for the conformer sampling of IDPs. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

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

Hopper Flow: Experiments and Simulation

NASA Astrophysics Data System (ADS)

Li, Zhusong; Shattuck, Mark

2013-03-01

Jamming and intermittent granular flow are important problems in industry, and the vertical hopper is a canonical example. Clogging of granular hoppers account for significant losses across many industries. We use realistic DEM simulations of gravity driven flow in a hopper to examine flow and jamming of 2D disks and compare with identical companion experiments. We use experimental data to validate simulation parameters and the form of the inter particle force law. We measure and compare flow rate, emptying times, jamming statistics, and flow fields as a function of opening angle and opening size in both experiment and simulations. Suppored by: NSF-CBET-0968013

PIC Simulations of Hypersonic Plasma Instabilities

NASA Astrophysics Data System (ADS)

Niehoff, D.; Ashour-Abdalla, M.; Niemann, C.; Decyk, V.; Schriver, D.; Clark, E.

2013-12-01

The plasma sheaths formed around hypersonic aircraft (Mach number, M > 10) are relatively unexplored and of interest today to both further the development of new technologies and solve long-standing engineering problems. Both laboratory experiments and analytical/numerical modeling are required to advance the understanding of these systems; it is advantageous to perform these tasks in tandem. There has already been some work done to study these plasmas by experiments that create a rapidly expanding plasma through ablation of a target with a laser. In combination with a preformed magnetic field, this configuration leads to a magnetic "bubble" formed behind the front as particles travel at about Mach 30 away from the target. Furthermore, the experiment was able to show the generation of fast electrons which could be due to instabilities on electron scales. To explore this, future experiments will have more accurate diagnostics capable of observing time- and length-scales below typical ion scales, but simulations are a useful tool to explore these plasma conditions theoretically. Particle in Cell (PIC) simulations are necessary when phenomena are expected to be observed at these scales, and also have the advantage of being fully kinetic with no fluid approximations. However, if the scales of the problem are not significantly below the ion scales, then the initialization of the PIC simulation must be very carefully engineered to avoid unnecessary computation and to select the minimum window where structures of interest can be studied. One method of doing this is to seed the simulation with either experiment or ion-scale simulation results. Previous experiments suggest that a useful configuration for studying hypersonic plasma configurations is a ring of particles rapidly expanding transverse to an external magnetic field, which has been simulated on the ion scale with an ion-hybrid code. This suggests that the PIC simulation should have an equivalent configuration; however, modeling a plasma expanding radially in every direction is computationally expensive. In order to reduce the computational expense, we use a radial density profile from the hybrid simulation results to seed a self-consistent PIC simulation in one direction (x), while creating a current in the direction (y) transverse to both the drift velocity and the magnetic field (z) to create the magnetic bubble observed in experiment. The simulation will be run in two spatial dimensions but retain three velocity dimensions, and the results will be used to explore the growth of micro-instabilities present in hypersonic plasmas in the high-density region as it moves through the simulation box. This will still require a significantly large box in order to compare with experiment, as the experiments are being performed over distances of 104 λDe and durations of 105 ωpe-1.

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

Vortex breakdown and control experiments in the Ames-Dryden water tunnel

NASA Technical Reports Server (NTRS)

Owen, F. K.; Peake, D. J.

1986-01-01

Flow-field measurements have been made to determine the effects of core blowing on vortex breakdown and control. The results of these proof-of-concept experiments clearly demonstrate the usefulness of water tunnels as test platforms for advanced flow-field simulation and measurement.

Impact of Assimilation of Conventional and Satellite Radiance GTS Observations on Simulation of Mesoscale Convective System Over Southeast India Using WRF-3DVar

NASA Astrophysics Data System (ADS)

Madhulatha, A.; Rajeevan, M.; Bhowmik, S. K. Roy; Das, A. K.

2018-01-01

The primary goal of present study is to investigate the impact of assimilation of conventional and satellite radiance observations in simulating the mesoscale convective system (MCS) formed over south east India. An assimilation methodology based on Weather Research and Forecasting model three dimensional variational data assimilation is considered. Few numerical experiments are carried out to examine the individual and combined impact of conventional and non-conventional (satellite radiance) observations. After the successful inclusion of additional observations, strong analysis increments of temperature and moisture fields are noticed and contributed to significant improvement in model's initial fields. The resulting model simulations are able to successfully reproduce the prominent synoptic features responsible for the initiation of MCS. Among all the experiments, the final experiment in which both conventional and satellite radiance observations assimilated has showed considerable impact on the prediction of MCS. The location, genesis, intensity, propagation and development of rain bands associated with the MCS are simulated reasonably well. The biases of simulated temperature, moisture and wind fields at surface and different pressure levels are reduced. Thermodynamic, dynamic and vertical structure of convective cells associated with the passage of MCS are well captured. Spatial distribution of rainfall is fairly reproduced and comparable to TRMM observations. It is demonstrated that incorporation of conventional and satellite radiance observations improved the local and synoptic representation of temperature, moisture fields from surface to different levels of atmosphere. This study highlights the importance of assimilation of conventional and satellite radiances in improving the models initial conditions and simulation of MCS.

Accurate Modeling of Dark-Field Scattering Spectra of Plasmonic Nanostructures.

PubMed

Jiang, Liyong; Yin, Tingting; Dong, Zhaogang; Liao, Mingyi; Tan, Shawn J; Goh, Xiao Ming; Allioux, David; Hu, Hailong; Li, Xiangyin; Yang, Joel K W; Shen, Zexiang

2015-10-27

Dark-field microscopy is a widely used tool for measuring the optical resonance of plasmonic nanostructures. However, current numerical methods for simulating the dark-field scattering spectra were carried out with plane wave illumination either at normal incidence or at an oblique angle from one direction. In actual experiments, light is focused onto the sample through an annular ring within a range of glancing angles. In this paper, we present a theoretical model capable of accurately simulating the dark-field light source with an annular ring. Simulations correctly reproduce a counterintuitive blue shift in the scattering spectra from gold nanodisks with a diameter beyond 140 nm. We believe that our proposed simulation method can be potentially applied as a general tool capable of simulating the dark-field scattering spectra of plasmonic nanostructures as well as other dielectric nanostructures with sizes beyond the quasi-static limit.

Numerical modelling of the Madison Dynamo Experiment.

NASA Astrophysics Data System (ADS)

Bayliss, R. A.; Wright, J. C.; Forest, C. B.; O'Connell, R.; Truitt, J. L.

2000-10-01

Growth, saturation and turbulent evolution of the Madison dynamo experiment is investigated numerically using a newly developed 3-D pseudo-spectral simulation of the MHD equations; results of the simulations will be compared to the experimental results obtained from the experiment. The code, Dynamo, is in Fortran90 and allows for full evolution of the magnetic and velocity fields. The induction equation governing B and the Navier-Stokes equation governing V are solved. The code uses a spectral representation via spherical harmonic basis functions of the vector fields in longitude and latitude, and finite differences in the radial direction. The magnetic field evolution has been benchmarked against the laminar kinematic dynamo predicted by M.L. Dudley and R.W. James (M.L. Dudley and R.W. James, Time-dependant kinematic dynamos with stationary flows, Proc. R. Soc. Lond. A 425, p. 407 (1989)). Initial results on magnetic field saturation, generated by the simultaneous evolution of magnetic and velocity fields be presented using a variety of mechanical forcing terms.

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

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

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

2016-01-28

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

Better Decision Making Through Representation and Reduction of Uncertainty in C3I Information Systems

DTIC Science & Technology

2007-11-01

preparatory experiments 61 Research objectives 61 Researchers roles 61 Experimental methods 62 The Battle Lab experiment 62 The Field experiment 63...2004). Previous stages of research were based on observations by the research team in a company-level simulation experiment and a brigade-level field ...times , ,.." , , ,.. 26 III Request for infonnation 26 Frequencies ofinformation requests 27 Effects ofadditional information on decision quality 28

Physical barriers formed from gelling liquids: 1. numerical design of laboratory and field experiments

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

Finsterle, S.; Moridis, G.J.; Pruess, K.

1994-01-01

The emplacement of liquids under controlled viscosity conditions is investigated by means of numerical simulations. Design calculations are performed for a laboratory experiment on a decimeter scale, and a field experiment on a meter scale. The purpose of the laboratory experiment is to study the behavior of multiple gout plumes when injected in a porous medium. The calculations for the field trial aim at designing a grout injection test from a vertical well in order to create a grout plume of a significant extent in the subsurface.

Atomic bonding effects in annular dark field scanning transmission electron microscopy. II. Experiments

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

Odlyzko, Michael L.; Held, Jacob T.; Mkhoyan, K. Andre, E-mail: mkhoyan@umn.edu

2016-07-15

Quantitatively calibrated annular dark field scanning transmission electron microscopy (ADF-STEM) imaging experiments were compared to frozen phonon multislice simulations adapted to include chemical bonding effects. Having carefully matched simulation parameters to experimental conditions, a depth-dependent bonding effect was observed for high-angle ADF-STEM imaging of aluminum nitride. This result is explained by computational predictions, systematically examined in the preceding portion of this study, showing the propagation of the converged STEM beam to be highly sensitive to net interatomic charge transfer. Thus, although uncertainties in experimental conditions and simulation accuracy remain, the computationally predicted experimental bonding effect withstands the experimental testing reportedmore » here.« less

Impact of Dynamic Specimen Shape Evolution on the Atom Probe Tomography Results of Doped Epitaxial Oxide Multilayers: Comparison of Experiment and Simulation

DOE PAGES

Madaan, Nitesh; Bao, Jie; Nandasiri, Manjula I.; ...

2015-08-31

The experimental atom probe tomography results from two different specimen orientations (top-down and side-ways) of a high oxygen ion conducting Samaria-doped-ceria/Scandia-stabilized-zirconia multilayer thin film solid oxide fuel cell electrolyte was correlated with level-set method based field evaporation simulations for the same specimen orientations. This experiment-theory correlation explains the dynamic specimen shape evolution and ion trajectory aberrations that can induce density artifacts in final reconstruction leading to inaccurate estimation of interfacial intermixing. This study highlights the need and importance of correlating experimental results with field evaporation simulations when using atom probe tomography for studying oxide heterostructure interfaces.

Measuring implosion velocities in experiments and simulations of laser-driven cylindrical implosions on the OMEGA laser

NASA Astrophysics Data System (ADS)

Hansen, E. C.; Barnak, D. H.; Betti, R.; Campbell, E. M.; Chang, P.-Y.; Davies, J. R.; Glebov, V. Yu; Knauer, J. P.; Peebles, J.; Regan, S. P.; Sefkow, A. B.

2018-05-01

Laser-driven magnetized liner inertial fusion (MagLIF) on OMEGA involves cylindrical implosions, a preheat beam, and an applied magnetic field. Initial experiments excluded the preheat beam and magnetic field to better characterize the implosion. X-ray self-emission as measured by framing cameras was used to determine the shell trajectory. The 1D code LILAC was used to model the central region of the implosion, and results were compared to 2D simulations from the HYDRA code. Post-processing of simulation output with SPECT3D and Yorick produced synthetic x-ray images that were used to compare the simulation results with the x-ray framing camera data. Quantitative analysis shows that higher measured neutron yields correlate with higher implosion velocities. The future goal is to further analyze the x-ray images to characterize the uniformity of the implosions and apply these analysis techniques to integrated laser-driven MagLIF shots to better understand the effects of preheat and the magnetic field.

Temperature distribution analysis of tissue water vaporization during microwave ablation: experiments and simulations.

PubMed

Ai, Haiming; Wu, Shuicai; Gao, Hongjian; Zhao, Lei; Yang, Chunlan; Zeng, Yi

2012-01-01

The temperature distribution in the region near a microwave antenna is a critical factor that affects the entire temperature field during microwave ablation of tissue. It is challenging to predict this distribution precisely, because the temperature in the near-antenna region varies greatly. The effects of water vaporisation and subsequent tissue carbonisation in an ex vivo porcine liver were therefore studied experimentally and in simulations. The enthalpy and high-temperature specific absorption rate (SAR) of liver tissues were calculated and incorporated into the simulation process. The accuracy of predictions for near-field temperatures in our simulations has reached the level where the average maximum error is less than 5°C. In addition, a modified thermal model that accounts for water vaporisation and the change in the SAR distribution pattern is proposed and validated with experiment. The results from this study may be useful in the clinical practice of microwave ablation and can be applied to predict the temperature field in surgical planning.

Validation of single-fluid and two-fluid magnetohydrodynamic models of the helicity injected torus spheromak experiment with the NIMROD code

NASA Astrophysics Data System (ADS)

Akcay, Cihan; Kim, Charlson C.; Victor, Brian S.; Jarboe, Thomas R.

2013-08-01

We present a comparison study of 3-D pressureless resistive MHD (rMHD) and 3-D presureless two-fluid MHD models of the Helicity Injected Torus with Steady Inductive helicity injection (HIT-SI). HIT-SI is a current drive experiment that uses two geometrically asymmetric helicity injectors to generate and sustain toroidal plasmas. The comparable size of the collisionless ion skin depth di to the resistive skin depth predicates the importance of the Hall term for HIT-SI. The simulations are run with NIMROD, an initial-value, 3-D extended MHD code. The modeled plasma density and temperature are assumed uniform and constant. The helicity injectors are modeled as oscillating normal magnetic and parallel electric field boundary conditions. The simulations use parameters that closely match those of the experiment. The simulation output is compared to the formation time, plasma current, and internal and surface magnetic fields. Results of the study indicate 2fl-MHD shows quantitative agreement with the experiment while rMHD only captures the qualitative features. The validity of each model is assessed based on how accurately it reproduces the global quantities as well as the temporal and spatial dependence of the measured magnetic fields. 2fl-MHD produces the current amplification Itor/Iinj and formation time τf demonstrated by HIT-SI with similar internal magnetic fields. rMHD underestimates Itor/Iinj and exhibits much a longer τf. Biorthogonal decomposition (BD), a powerful mathematical tool for reducing large data sets, is employed to quantify how well the simulations reproduce the measured surface magnetic fields without resorting to a probe-by-probe comparison. BD shows that 2fl-MHD captures the dominant surface magnetic structures and the temporal behavior of these features better than rMHD.

Extended MHD Effects in High Energy Density Experiments

NASA Astrophysics Data System (ADS)

Seyler, Charles

2016-10-01

The MHD model is the workhorse for computational modeling of HEDP experiments. Plasma models are inheritably limited in scope, but MHD is expected to be a very good model for studying plasmas at the high densities attained in HEDP experiments. There are, however, important ways in which MHD fails to adequately describe the results, most notably due to the omission of the Hall term in the Ohm's law (a form of extended MHD or XMHD). This talk will discuss these failings by directly comparing simulations of MHD and XMHD for particularly relevant cases. The methodology is to simulate HEDP experiments using a Hall-MHD (HMHD) code based on a highly accurate and robust Discontinuous Galerkin method, and by comparison of HMHD to MHD draw conclusions about the impact of the Hall term. We focus on simulating two experimental pulsed power machines under various scenarios. We examine the MagLIF experiment on the Z-machine at Sandia National Laboratories and liner experiments on the COBRA machine at Cornell. For the MagLIF experiment we find that power flow in the feed leads to low density plasma ablation into the region surrounding the liner. The inflow of this plasma compresses axial magnetic flux onto the liner. In MHD this axial flux tends to resistively decay, whereas in HMHD a force-free current layer sustains the axial flux on the liner leading to a larger ratio of axial to azimuthal flux. During the liner compression the magneto-Rayleigh-Taylor instability leads to helical perturbations due to minimization of field line bending. Simulations of a cylindrical liner using the COBRA machine parameters can under certain conditions exhibit amplification of an axial field due to a force-free low-density current layer separated by some distance from the liner. This results in a configuration in which there is predominately axial field on the liner inside the current layer and azimuthal field outside the layer. We are currently attempting to experimentally verify the simulation results. Collaborator: Nathaniel D. Hamlin, School of Electrical and Computer Engineering, Cornell University, Ithaca, New York.

^4He experiments near T_λ with a heat current and reduced gravity in a low-gravity simulator

NASA Astrophysics Data System (ADS)

Liu, Yuanming; Larson, Melora; Israelsson, Ulf

1998-03-01

Conventional ground-based helium experiments experience limitations due to a variation of the superfluid transition temperature (T_λ) caused by the gravity-induced hydrostatic pressure in a ^4He sample cell. A low-gravity simulator consisting a high field superconducting magnet has been built in our laboratory and the preliminary measurements demonstrated a reduction of gravity in the sample cell. (Melora Larson, Feng-Chuan Liu, and Ulf Israelsson, Czech. J. of Phys. 46, 179 (1996).) We report our latest improvements on the simulator and measurements with a new sample cell which had copper end plates, Vepsel sidewalls, and sidewall probes. The measurements showed that gravity can be canceled with a field-field gradient product of 20.7 T^2/cm (or B=15.5 Tesla), in excellent agreement with the theoretical prediction. The measurements also revealed that the boundary resistance between the thermometers and liquid helium increased from 1.6 cm^2 K/W at zero field to 2.0 cm^2 K/W at B=13.8 Tesla. The preliminary dynamic measurements near T_λ with a heat current and reduced gravity will also be presented. This research was supported by NASA.

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.

Study of Wind Effects on Unique Buildings

NASA Astrophysics Data System (ADS)

Olenkov, V.; Puzyrev, P.

2017-11-01

The article deals with a numerical simulation of wind effects on the building of the Church of the Intercession of the Holy Virgin in the village Bulzi of the Chelyabinsk region. We presented a calculation algorithm and obtained pressure fields, velocity fields and the fields of kinetic energy of a wind stream, as well as streamlines. Computational fluid dynamic (CFD) evolved three decades ago at the interfaces of calculus mathematics and theoretical hydromechanics and has become a separate branch of science the subject of which is a numerical simulation of different fluid and gas flows as well as the solution of arising problems with the help of methods that involve computer systems. This scientific field which is of a great practical value is intensively developing. The increase in CFD-calculations is caused by the improvement of computer technologies, creation of multipurpose easy-to-use CFD-packagers that are available to a wide group of researchers and cope with various tasks. Such programs are not only competitive in comparison with physical experiments but sometimes they provide the only opportunity to answer the research questions. The following advantages of computer simulation can be pointed out: a) Reduction in time spent on design and development of a model in comparison with a real experiment (variation of boundary conditions). b) Numerical experiment allows for the simulation of conditions that are not reproducible with environmental tests (use of ideal gas as environment). c) Use of computational gas dynamics methods provides a researcher with a complete and ample information that is necessary to fully describe different processes of the experiment. d) Economic efficiency of computer calculations is more attractive than an experiment. e) Possibility to modify a computational model which ensures efficient timing (change of the sizes of wall layer cells in accordance with the chosen turbulence model).

Evaluation of a Mesoscale Atmospheric Dispersion Modeling System with Observations from the 1980 Great Plains Mesoscale Tracer Field Experiment. Part I: Datasets and Meteorological Simulations.

NASA Astrophysics Data System (ADS)

Moran, Michael D.; Pielke, Roger A.

1996-03-01

The Colorado State University mesoscale atmospheric dispersion (MAD) numerical modeling system, which consists of a prognostic mesoscale meteorological model coupled to a mesoscale Lagrangian particle dispersion model, has been used to simulate the transport and diffusion of a perfluorocarbon tracer-gas cloud for one afternoon surface release during the July 1980 Great Plains mesoscale tracer field experiment. Ground-level concentration (GLC) measurements taken along arcs of samplers 100 and 600 km downwind of the release site at Norman, Oklahoma, up to three days after the tracer release were available for comparison. Quantitative measures of a number of significant dispersion characteristics obtained from analysis of the observed tracer cloud's moving GLC `footprint' have been used to evaluate the modeling system's skill in simulating this MAD case.MAD is more dependent upon the spatial and temporal structure of the transport wind field than is short-range atmospheric dispersion. For the Great Plains mesoscale tracer experiment, the observations suggest that the Great Plains nocturnal low-level jet played an important role in transporting and deforming the tracer cloud. A suite of ten two- and three-dimensional numerical meteorological experiments was devised to investigate the relative contributions of topography, other surface inhomogeneities, atmospheric baroclinicity, synoptic-scale flow evolution, and meteorological model initialization time to the structure and evolution of the low-level mesoscale flow field and thus to MAD. Results from the ten mesoscale meteorological simulations are compared in this part of the paper. The predicted wind fields display significant differences, which give rise in turn to significant differences in predicted low-level transport. The presence of an oscillatory ageostrophic component in the observed synoptic low-level winds for this case is shown to complicate initialization of the meteorological model considerably and is the likely cause of directional errors in the predicted mean tracer transport. A companion paper describes the results from the associated dispersion simulations.

Design, Simulation and Experiments on the Recirculating Crossed-Field Planar Amplifier

NASA Astrophysics Data System (ADS)

Exelby, Steven; Greening, Geoffrey; Jordan, Nicholas; Packard, Drew; Lau, Yue Ying; Gilgenbach, Ronald; Simon, David; Hoff, Brad

2017-10-01

The Recirculating Planar Crossed-Field Amplifier (RPCFA) is the focus of simulation and experimental work. This amplifier, inspired by the Recirculating Planar Magnetron, is driven by the Michigan Electron Long Beam Accelerator (MELBA), configured to deliver a -300 kV, 1-10 kA, 0.3-1.0 µs pulse. For these parameters, a slow wave structure (SWS), cathode, and housing were designed using the finite element frequency domain code Ansys HFSS, and verified using the PIC code, MAGIC. Simulations of this device demonstrated amplification of 1.3 MW, 3 GHz signal to approximately 29 MW (13.5 dB) with nearly 53% electronic efficiency. Simulations have also shown the device is zero-drive stable, operates under a range of voltages, with bandwidth of 10%, on par with existing CFAs. The RPCFA SWS has been fabricated using 3D printing, while the rest of the device has been developed using traditional machining. Experimental RPCFA cold tube characteristics matched those from simulation. Experiments on MELBA have demonstrated zero-drive stability and amplifier experiments are underway. This work was supported by the AFOSR Grant FA9550-15-1-0097.

Comparison of resistive MHD simulations and experimental CHI discharges in NSTX

NASA Astrophysics Data System (ADS)

Hooper, E. B.; Sovinec, C. R.; Raman, R.; Fatima, F.

2013-10-01

Resistive MHD simulations using NIMROD simulate CHI discharges for NSTX startup plasmas. Quantitative comparison with experiment ensures that the simulation physics includes a minimal physics set needed to extend the simulations to new experiments, e.g. NSTX-U. Important are time-varying vacuum magnetic field, ohmic heating, thermal transport, impurity radiation, and spatially-varying plasma parameters including density. Equilibria are compared with experimental injector currents, voltages and parameters including toroidal current, photographs of emitted light and measurements of midplane temperature profiles, radiation and surface heating. Initial results demonstrate that adjusting impurity radiation and cross-field transport yields temperatures and injected-current channel widths similar to experiment. These determine the plasma resistance, feeding back to the impedance on the injector power supply. Work performed under the auspices of the U.S. Department of Energy under contracts DE-AC52-07NA27344 at LLNL and DE-AC02-09CH11466 at PPPL, and grants DE-FC02-05ER54813 at PSI Center (U. Wisc.) and DOE-FG02-12ER55115 (at Princeton U.).

Biomolecularmodeling and simulation: a field coming of age

PubMed Central

Schlick, Tamar; Collepardo-Guevara, Rosana; Halvorsen, Leif Arthur; Jung, Segun; Xiao, Xia

2013-01-01

We assess the progress in biomolecular modeling and simulation, focusing on structure prediction and dynamics, by presenting the field’s history, metrics for its rise in popularity, early expressed expectations, and current significant applications. The increases in computational power combined with improvements in algorithms and force fields have led to considerable success, especially in protein folding, specificity of ligand/biomolecule interactions, and interpretation of complex experimental phenomena (e.g. NMR relaxation, protein-folding kinetics and multiple conformational states) through the generation of structural hypotheses and pathway mechanisms. Although far from a general automated tool, structure prediction is notable for proteins and RNA that preceded the experiment, especially by knowledge-based approaches. Thus, despite early unrealistic expectations and the realization that computer technology alone will not quickly bridge the gap between experimental and theoretical time frames, ongoing improvements to enhance the accuracy and scope of modeling and simulation are propelling the field onto a productive trajectory to become full partner with experiment and a field on its own right. PMID:21226976

Molecular Dynamics Simulations of Intrinsically Disordered Proteins: Force Field Evaluation and Comparison with Experiment.

PubMed

Henriques, João; Cragnell, Carolina; Skepö, Marie

2015-07-14

An increasing number of studies using molecular dynamics (MD) simulations of unfolded and intrinsically disordered proteins (IDPs) suggest that current force fields sample conformations that are overly collapsed. Here, we study the applicability of several state-of-the-art MD force fields, of the AMBER and GROMOS variety, for the simulation of Histatin 5, a short (24 residues) cationic salivary IDP with antimicrobial and antifungal properties. The quality of the simulations is assessed in three complementary analyses: (i) protein shape and size comparison with recent experimental small-angle X-ray scattering data; (ii) secondary structure prediction; (iii) energy landscape exploration and conformational class analysis. Our results show that, indeed, standard force fields sample conformations that are too compact, being systematically unable to reproduce experimental evidence such as the scattering function, the shape of the protein as compared with the Kratky plot, and intrapeptide distances obtained through the pair distance distribution function, p(r). The consistency of this deviation suggests that the problem is not mainly due to protein-protein or water-water interactions, whose parametrization varies the most between force fields and water models. In fact, as originally proposed in [ Best et al. J. Chem. Theory Comput. 2014, 10, 5113 - 5124.], balanced protein-water interactions may be the key to solving this problem. Our simulations using this approach produce results in very good agreement with experiment.

An Observing System Simulation Experiment (OSSE) Investigating the OMI Aerosol Products Using Simulated Aerosol and Atmospheric Fields from the NASA GEOS-5 Model

NASA Astrophysics Data System (ADS)

Colarco, P. R.; Gasso, S.; Jethva, H. T.; Buchard, V.; Ahn, C.; Torres, O.; daSilva, A.

2016-12-01

Output from the NASA Goddard Earth Observing System, version 5 (GEOS-5) Earth system model is used to simulate the top-of-atmosphere 354 and 388 nm radiances observed by the Ozone Monitoring Instrument (OMI) onboard the Aura spacecraft. The principle purpose of developing this simulator tool is to compute from the modeled fields the so-called OMI Aerosol Index (AI), which is a more fundamental retrieval product than higher level products such as the aerosol optical depth (AOD) or absorbing aerosol optical depth (AAOD). This lays the groundwork for eventually developing a capability to assimilate either the OMI AI or its radiances, which would provide further constraint on aerosol loading and absorption properties for global models. We extend the use of the simulator capability to understand the nature of the OMI aerosol retrieval algorithms themselves in an Observing System Simulation Experiment (OSSE). The simulated radiances are used to calculate the AI from the modeled fields. These radiances are also provided to the OMI aerosol algorithms, which return their own retrievals of the AI, AOD, and AAOD. Our assessment reveals that the OMI-retrieved AI can be mostly harmonized with the model-derived AI given the same radiances provided a common surface pressure field is assumed. This is important because the operational OMI algorithms presently assume a fixed pressure field, while the contribution of molecular scattering to the actual OMI signal in fact responds to the actual atmospheric pressure profile, which is accounted for in our OSSE by using GEOS-5 produced atmospheric reanalyses. Other differences between the model and OMI AI are discussed, and we present a preliminary assessment of the OMI AOD and AAOD products with respect to the known inputs from the GEOS-5 simulation.

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

Reproducible computational biology experiments with SED-ML - The Simulation Experiment Description Markup Language

PubMed Central

2011-01-01

Background The increasing use of computational simulation experiments to inform modern biological research creates new challenges to annotate, archive, share and reproduce such experiments. The recently published Minimum Information About a Simulation Experiment (MIASE) proposes a minimal set of information that should be provided to allow the reproduction of simulation experiments among users and software tools. Results In this article, we present the Simulation Experiment Description Markup Language (SED-ML). SED-ML encodes in a computer-readable exchange format the information required by MIASE to enable reproduction of simulation experiments. It has been developed as a community project and it is defined in a detailed technical specification and additionally provides an XML schema. The version of SED-ML described in this publication is Level 1 Version 1. It covers the description of the most frequent type of simulation experiments in the area, namely time course simulations. SED-ML documents specify which models to use in an experiment, modifications to apply on the models before using them, which simulation procedures to run on each model, what analysis results to output, and how the results should be presented. These descriptions are independent of the underlying model implementation. SED-ML is a software-independent format for encoding the description of simulation experiments; it is not specific to particular simulation tools. Here, we demonstrate that with the growing software support for SED-ML we can effectively exchange executable simulation descriptions. Conclusions With SED-ML, software can exchange simulation experiment descriptions, enabling the validation and reuse of simulation experiments in different tools. Authors of papers reporting simulation experiments can make their simulation protocols available for other scientists to reproduce the results. Because SED-ML is agnostic about exact modeling language(s) used, experiments covering models from different fields of research can be accurately described and combined. PMID:22172142

Modeling aspects of human memory for scientific study.

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

Caudell, Thomas P.; Watson, Patrick; McDaniel, Mark A.

Working with leading experts in the field of cognitive neuroscience and computational intelligence, SNL has developed a computational architecture that represents neurocognitive mechanisms associated with how humans remember experiences in their past. The architecture represents how knowledge is organized and updated through information from individual experiences (episodes) via the cortical-hippocampal declarative memory system. We compared the simulated behavioral characteristics with those of humans measured under well established experimental standards, controlling for unmodeled aspects of human processing, such as perception. We used this knowledge to create robust simulations of & human memory behaviors that should help move the scientific community closermore » to understanding how humans remember information. These behaviors were experimentally validated against actual human subjects, which was published. An important outcome of the validation process will be the joining of specific experimental testing procedures from the field of neuroscience with computational representations from the field of cognitive modeling and simulation.« less

Dynamic Modeling of the Madison Dynamo Experiment

NASA Astrophysics Data System (ADS)

Truitt, J. L.; Forest, C. B.; Wright, J. C.

1999-11-01

This work focuses on a computer simulation of the Magnetohydrodynamic equations applied in the geometry of the Madison Dynamo Experiemnt. An integration code is used to evolve both the magnetic field and the velocity field numerically in spherical coordinates using a pseudo-spectral algorithm. The focus is to realistically model an experiment to be undertaken by the Madison Dynamo Experiment Group. The first flows studied are the well documented ones of Dudley and James. The main goals of the simulation are to observe the dynamo effect with the back-reaction allowed, to observe the equipartition of magnetic and kinetic energy due to theoretically proposed turbulent effects, and to isolate and study the α and β effects.

Laboratory simulation of field-aligned currents

NASA Technical Reports Server (NTRS)

Wessel, Frank J.; Rostoker, Norman

1993-01-01

A summary of progress during the period Apr. 1992 to Mar. 1993 is provided. Objectives of the research are (1) to simulate, via laboratory experiments, the three terms of the field-aligned current equation; (2) to simulate auroral-arc formation processes by configuring the boundary conditions of the experimental chamber and plasma parameters to produce highly localized return currents at the end of a field-aligned current system; and (3) to extrapolate these results, using theoretical and computational techniques, to the problem of magnetospheric-ionospheric coupling and to compare them with published literature signatures of auroral-arc phenomena.

Numerical study of magnetic nanofluids flow in the round channel located in the constant magnetic field

NASA Astrophysics Data System (ADS)

Pryazhnikov, Maxim; Guzei, Dmitriy; Minakov, Andrey; Rodionova, Tatyana

2017-10-01

In this paper, the study of ferromagnetic nanoparticles behaviour in the constant magnetic field is carried out. For numerical simulation we have used Euler-Lagrange two-component approach. Using numerical simulation we have studied the growth of deposition of nanoparticles on the channel walls depending on the Reynolds number and the position of the magnet. The flow pattern, the concentration field and the trajectory of nanoparticles as a function of the Reynolds number were obtained. The good qualitative and quantitative agreement between numerical simulation and experiments was shown.

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.

Cybersickness and desktop simulations: field of view effects and user experience

NASA Astrophysics Data System (ADS)

Toet, Alexander; de Vries, Sjoerd C.; van Emmerik, Martijn L.; Bos, Jelte E.

2008-04-01

We used a desktop computer game environment to study the effect Field-of-View (FOV) on cybersickness. In particular, we examined the effect of differences between the internal FOV (iFOV, the FOV which the graphics generator is using to render its images) and the external FOV (eFOV, the FOV of the presented images as seen from the physical viewpoint of the observer). Somewhat counter-intuitively, we find that congruent iFOVs and eFOVs lead to a higher incidence of cybersickness. A possible explanation is that the incongruent conditions were too extreme, thereby reducing the experience of vection. We also studied the user experience (appraisal) of this virtual environment as a function of the degree of cybersickness. We find that cybersick participants experience the simulated environment as less pleasant and more arousing, and possibly also as more distressing. Our present findings have serious implications for desktop simulations used both in military and in civilian training, instruction and planning applications.

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.

A Simulated Stream Ecology Study.

ERIC Educational Resources Information Center

Zampella, Robert A.

1979-01-01

Describes a simulated field experience to study stream ecology in the classroom. Secondary students determine the composition of the stream community, describe the distribution of the benthic invertebrates, and design a food web. (Author/MA)

A ``Cyber Wind Facility'' for HPC Wind Turbine Field Experiments

NASA Astrophysics Data System (ADS)

Brasseur, James; Paterson, Eric; Schmitz, Sven; Campbell, Robert; Vijayakumar, Ganesh; Lavely, Adam; Jayaraman, Balaji; Nandi, Tarak; Jha, Pankaj; Dunbar, Alex; Motta-Mena, Javier; Craven, Brent; Haupt, Sue

2013-03-01

The Penn State ``Cyber Wind Facility'' (CWF) is a high-fidelity multi-scale high performance computing (HPC) environment in which ``cyber field experiments'' are designed and ``cyber data'' collected from wind turbines operating within the atmospheric boundary layer (ABL) environment. Conceptually the ``facility'' is akin to a high-tech wind tunnel with controlled physical environment, but unlike a wind tunnel it replicates commercial-scale wind turbines operating in the field and forced by true atmospheric turbulence with controlled stability state. The CWF is created from state-of-the-art high-accuracy technology geometry and grid design and numerical methods, and with high-resolution simulation strategies that blend unsteady RANS near the surface with high fidelity large-eddy simulation (LES) in separated boundary layer, blade and rotor wake regions, embedded within high-resolution LES of the ABL. CWF experiments complement physical field facility experiments that can capture wider ranges of meteorological events, but with minimal control over the environment and with very small numbers of sensors at low spatial resolution. I shall report on the first CWF experiments aimed at dynamical interactions between ABL turbulence and space-time wind turbine loadings. Supported by DOE and NSF.

MHD simulation of plasma compression experiments

NASA Astrophysics Data System (ADS)

Reynolds, Meritt; Barsky, Sandra; de Vietien, Peter

2017-10-01

General Fusion (GF) is working to build a magnetized target fusion (MTF) power plant based on compression of magnetically-confined plasma by liquid metal. GF is testing this compression concept by collapsing solid aluminum liners onto plasmas formed by coaxial helicity injection in a series of experiments called PCS (Plasma Compression, Small). We simulate the PCS experiments using the finite-volume MHD code VAC. The single-fluid plasma model includes temperature-dependent resistivity and anisotropic heat transport. The time-dependent curvilinear mesh for MHD simulation is derived from LS-DYNA simulations of actual field tests of liner implosion. We will discuss how 3D simulations reproduced instability observed in the PCS13 experiment and correctly predicted stabilization of PCS14 by ramping the shaft current during compression. We will also present a comparison of simulated Mirnov and x-ray diagnostics with experimental measurements indicating that PCS14 compressed well to a linear compression ratio of 2.5:1.

PENTrack - a versatile Monte Carlo tool for ultracold neutron sources and experiments

NASA Astrophysics Data System (ADS)

Picker, Ruediger; Chahal, Sanmeet; Christopher, Nicolas; Losekamm, Martin; Marcellin, James; Paul, Stephan; Schreyer, Wolfgang; Yapa, Pramodh

2016-09-01

Ultracold neutrons have energies in the hundred nano eV region. They can be stored in traps for hundreds of seconds. This makes them the ideal tool to study the neutron itself. Measurements of neutron decay correlations, lifetime or electric dipole moment are ideally suited for ultracold neutrons, as well as experiments probing the neutron's gravitational levels in the earth's field. We have developed a Monte Carlo simulation tool that can serve to design and optimize these experiments, and possibly correct results: PENTrack is a C++ based simulation code that tracks neutrons, protons and electrons or atoms, as well as their spins, in gravitational and electromagnetic fields. In addition wall interactions of neutrons due to strong interaction are modeled with a Fermi-potential formalism and take surface roughness into account. The presentation will introduce the physics behind the simulation and provide examples of its application.

Simulation in otolaryngology: smart dummies and more.

PubMed

Deutsch, Ellen S

2011-12-01

Simulation is revolutionizing medical education, certification, and ongoing professional development. Simulation encompasses a variety of technologies as well as nontechnical approaches to improve individual psychomotor skills, group effectiveness, and systems processes, all without direct risk to patients. Simulation-enhanced learning experiences, addressing learning objectives based on the needs of the individual or the group and following the principles of adult education, can be used to ensure consistent and comprehensive learning opportunities, thereby creatively complementing didactic and clinical learning experiences. Pockets of simulation expertise are already present in the field of otolaryngology; more will develop as these exciting and important innovations blossom.

Modeling hexavalent chromium reduction in groundwater in field-scale transport and laboratory batch experiments

USGS Publications Warehouse

Friedly, J.C.; Davis, J.A.; Kent, D.B.

1995-01-01

A plausible and consistent model is developed to obtain a quantitative description of the gradual disappearance of hexavalent chromium (Cr(VI)) from groundwater in a small-scale field tracer test and in batch kinetic experiments using aquifer sediments under similar chemical conditions. The data exhibit three distinct timescales. Fast reduction occurs in well-stirred batch reactors in times much less than 1 hour and is followed by slow reduction over a timescale of the order of 2 days. In the field, reduction occurs on a timescale of the order of 8 days. The model is based on the following hypotheses. The chemical reduction reaction occurs very fast, and the longer timescales are caused by diffusion resistance. Diffusion into the secondary porosity of grains causes the apparent slow reduction rate in batch experiments. In the model of the field experiments, the reducing agent, heavy Fe(II)-bearing minerals, is heterogeneously distributed in thin strata located between larger nonreducing sand lenses that comprise the bulk of the aquifer solids. It is found that reducing strata of the order of centimeters thick are sufficient to contribute enough diffusion resistance to cause the observed longest timescale in the field. A one-dimensional advection/dispersion model is formulated that describes the major experimental trends. Diffusion rates are estimated in terms of an elementary physical picture of flow through a stratified medium containing identically sized spherical grains. Both reduction and sorption reactions are included. Batch simulation results are sensitive to the fraction of reductant located at or near the surface of grains, which controls the amount of rapid reduction, and the secondary porosity, which controls the rate of slow reduction observed in batch experiments. Results of Cr(VI) transport simulations are sensitive to the thickness and relative size of the reducing stratum. Transport simulation results suggest that nearly all of the reductant must be located in the reducing stratum. Within this context and as long as there is adequate reductive capacity present, the transport simulation results are insensitive to the parameters important for the batch simulations. The results illustrate how a combination of field measurements and batch laboratory studies can be used to improve predictive modeling of contaminant transport.

Optimising electron microscopy experiment through electron optics simulation.

PubMed

Kubo, Y; Gatel, C; Snoeck, E; Houdellier, F

2017-04-01

We developed a new type of electron trajectories simulation inside a complete model of a modern transmission electron microscope (TEM). Our model incorporates the precise and real design of each element constituting a TEM, i.e. the field emission (FE) cathode, the extraction optic and acceleration stages of a 300kV cold field emission gun, the illumination lenses, the objective lens, the intermediate and projection lenses. Full trajectories can be computed using magnetically saturated or non-saturated round lenses, magnetic deflectors and even non-cylindrical symmetry elements like electrostatic biprism. This multi-scale model gathers nanometer size components (FE tip) with parts of meter length (illumination and projection systems). We demonstrate that non-trivial TEM experiments requiring specific and complex optical configurations can be simulated and optimized prior to any experiment using such model. We show that all the currents set in all optical elements of the simulated column can be implemented in the real column (I2TEM in CEMES) and used as starting alignment for the requested experiment. We argue that the combination of such complete electron trajectory simulations in the whole TEM column with automatic optimization of the microscope parameters for optimal experimental data (images, diffraction, spectra) allows drastically simplifying the implementation of complex experiments in TEM and will facilitate the development of advanced use of the electron microscope in the near future. Copyright © 2017 Elsevier B.V. All rights reserved.

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

Effect of a pulsating electric field on ECR heating in the CERA-RX(C) X-ray generator

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

Balmashnov, A. A., E-mail: abalmashnov@sci.pfu.edu.ru; Kalashnikov, A. V.; Kalashnikov, V. V.

2016-03-15

3D particle-in-cell plasma simulations for the field configurations implemented in the CERA-RX(C) ECR X-ray generator (2.45 GHz) have been conducted. Dependences of the energy spectra of electrons incident on the target electrode on the amplitude and frequency of pulsations of the electric field in a megahertz range are derived. The simulation data are compared with the results of the full-scale experiment.

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.

The impact of residents' training in Electronic Medical Record (EMR) use on their competence: report of a pragmatic trial.

PubMed

Reis, Shmuel; Sagi, Doron; Eisenberg, Orit; Kuchnir, Yosi; Azuri, Joseph; Shalev, Varda; Ziv, Amitai

2013-12-01

Even though Electronic Medical Records (EMRs) are increasingly used in healthcare organizations there is surprisingly little theoretical work or educational programs in this field. This study is aimed at comparing two training programs for doctor-patient-computer communication (DPCC). 36 Family Medicine Residents (FMRs) participated in this study. All FMRs went through twelve identical simulated encounters, six pre and six post training. The experiment group received simulation based training (SBT) while the control group received traditional lecture based training. Performance, attitude and sense of competence of all FMRs improved, but no difference was found between the experiment and control groups. FMRs from the experiment group evaluated the contribution of the training phase higher than control group, and showed higher satisfaction. We assume that the mere exposure to simulation served as a learning experience and enabled deliberate practice that was more powerful than training. Because DPCC is a new field, all participants in such studies, including instructors and raters, should receive basic training of DPCC skills. Simulation enhances DPCC skills. Future studies of this kind should control the exposure to simulation prior to the training phase. Training and assessment of clinical communication should include EMR related skills. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Simulating is Stimulating

ERIC Educational Resources Information Center

Christy, Raymond M.

1975-01-01

Describes an unusual learning experience available to eighth-grade students in Louisiana through exposure to a World War II B-25 simulator. The flight simulator is used to motivate students in the science area, develop an awareness of flight problems and challenges and provide exposure to the electronics career field. (BR)

Response of a Bell–Bloom Magnetometer to a Magnetic Field of Arbitrary Direction

PubMed Central

Ding, Zhichao; Yuan, Jie; Long, Xingwu

2018-01-01

The Bell–Bloom magnetometer in response to a magnetic field of arbitrary direction is observed theoretically and experimentally. A theoretical model is built from a macroscopic view to simulate the magnetometer frequency response to an external magnetic field of arbitrary direction. Based on the simulation results, the magnetometer characteristics, including the signal phase and amplitude at resonance, the linewidth, and the magnetometer sensitivity, are analyzed, and the dependencies of these characteristics on the external magnetic field direction are obtained, which are verified by the experiment. PMID:29724059

A field study of wind over a simulated block building

NASA Technical Reports Server (NTRS)

Frost, W.; Shahabi, A. M.

1977-01-01

A full-scale field study of the wind over a simulated two-dimensional building is reported. The study develops an experiment to investigate the structure and magnitude of the wind fields. A description of the experimental arrangement, the type and expected accuracy of the data, and the range of the data are given. The data are expected to provide a fundamental understanding of mean wind and turbulence structure of the wind field around the bluff body. Preliminary analysis of the data demonstrates the reliability and completeness of the data in this regard.

Astrophysical particle acceleration mechanisms in colliding magnetized laser-produced plasmas

DOE PAGES

Fox, W.; Park, J.; Deng, W.; ...

2017-08-11

Significant particle energization is observed to occur in numerous astrophysical environments, and in the standard models, this acceleration occurs alongside energy conversion processes including collisionless shocks or magnetic reconnection. Recent platforms for laboratory experiments using magnetized laser-produced plasmas have opened opportunities to study these particle acceleration processes in the laboratory. Through fully kinetic particle-in-cell simulations, we investigate acceleration mechanisms in experiments with colliding magnetized laser-produced plasmas, with geometry and parameters matched to recent high-Mach number reconnection experiments with externally controlled magnetic fields. 2-D simulations demonstrate significant particle acceleration with three phases of energization: first, a “direct” Fermi acceleration driven bymore » approaching magnetized plumes; second, x-line acceleration during magnetic reconnection of anti-parallel fields; and finally, an additional Fermi energization of particles trapped in contracting and relaxing magnetic islands produced by reconnection. Furthermore, the relative effectiveness of these mechanisms depends on plasma and magnetic field parameters of the experiments.« less

Building an Outdoor Classroom for Field Geology: The Geoscience Garden

ERIC Educational Resources Information Center

Waldron, John W. F.; Locock, Andrew J.; Pujadas-Botey, Anna

2016-01-01

Many geoscience educators have noted the difficulty that students experience in transferring their classroom knowledge to the field environment. The Geoscience Garden, on the University of Alberta North Campus, provides a simulated field environment in which Earth Science students can develop field observation skills, interpret features of Earth's…

The Effect of a Guide Field on Local Energy Conversion During Asymmetric Magnetic Reconnection: Particle-in-Cell Simulations

NASA Astrophysics Data System (ADS)

Cassak, P. A.; Genestreti, K. J.; Burch, J. L.; Phan, T.-D.; Shay, M. A.; Swisdak, M.; Drake, J. F.; Price, L.; Eriksson, S.; Ergun, R. E.; Anderson, B. J.; Merkin, V. G.; Komar, C. M.

2017-11-01

We use theory and simulations to study how the out-of-plane (guide) magnetic field strength modifies the location where the energy conversion rate between the electric field and the plasma is appreciable during asymmetric magnetic reconnection, motivated by observations (Genestreti et al., 2017). For weak guide fields, energy conversion is maximum on the magnetospheric side of the X line, midway between the X line and electron stagnation point. As the guide field increases, the electron stagnation point gets closer to the X line, and energy conversion occurs closer to the electron stagnation point. We motivate one possible nonrigorous approach to extend the theory of the stagnation point location to include a guide field. The predictions are compared to two-dimensional particle-in-cell (PIC) simulations with vastly different guide fields. The simulations have upstream parameters corresponding to three events observed with Magnetospheric Multiscale (MMS). The predictions agree reasonably well with the simulation results, capturing trends with the guide field. The theory correctly predicts that the X line and stagnation points approach each other as the guide field increases. The results are compared to MMS observations, Active Magnetosphere and Planetary Electrodynamics Response Experiment (AMPERE) observations of each event, and a global resistive-magnetohydrodynamics simulation of the 16 October 2015 event. The PIC simulation results agree well with the global observations and simulation but differ in the strong electric fields and energy conversion rates found in MMS observations. The observational, theoretical, and numerical results suggest that the strong electric fields observed by MMS do not represent a steady global reconnection rate.

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.

Power dissipation in HTS coated conductor coils under the simultaneous action of AC and DC currents and fields

NASA Astrophysics Data System (ADS)

Shen, Boyang; Li, Chao; Geng, Jianzhao; Zhang, Xiuchang; Gawith, James; Ma, Jun; Liu, Yingzhen; Grilli, Francesco; Coombs, T. A.

2018-07-01

This paper presents a comprehensive alternating current (AC) loss study of a circular high temperature superconductor (HTS) coated conductor coil. The AC losses from a circular double pancake coil were measured using the electrical method. A 2D axisymmetric H -formulation model using the FEM package in COMSOL Multiphysics has been established to match the circular geometry of the coil used in the experiment. Three scenarios have been analysed: Scenario 1 with AC transport current and DC magnetic field (experiment and simulation); Scenario 2 with DC transport current and AC magnetic field (simulation); and Scenario 3 with AC transport current and AC magnetic field (simulation and experimental data support). The angular dependence analysis on the coil under a magnetic field with different orientation angle θ has been carried out for all three scenarios. For Scenario 3, the effect of the relative phase difference Δφ between the AC current and the AC field on the total AC loss of the coil has been investigated. In summary, a current/field/angle/phase dependent AC loss ( I , B , θ, Δφ) study of a circular HTS coil has been carried out. The obtained results provide useful indications for the future design and research of HTS AC systems.

Evaluation of Surface Runoff Generation Processes Using a Rainfall Simulator: A Small Scale Laboratory Experiment

NASA Astrophysics Data System (ADS)

Danáčová, Michaela; Valent, Peter; Výleta, Roman

2017-12-01

Nowadays, rainfall simulators are being used by many researchers in field or laboratory experiments. The main objective of most of these experiments is to better understand the underlying runoff generation processes, and to use the results in the process of calibration and validation of hydrological models. Many research groups have assembled their own rainfall simulators, which comply with their understanding of rainfall processes, and the requirements of their experiments. Most often, the existing rainfall simulators differ mainly in the size of the irrigated area, and the way they generate rain drops. They can be characterized by the accuracy, with which they produce a rainfall of a given intensity, the size of the irrigated area, and the rain drop generating mechanism. Rainfall simulation experiments can provide valuable information about the genesis of surface runoff, infiltration of water into soil and rainfall erodibility. Apart from the impact of physical properties of soil, its moisture and compaction on the generation of surface runoff and the amount of eroded particles, some studies also investigate the impact of vegetation cover of the whole area of interest. In this study, the rainfall simulator was used to simulate the impact of the slope gradient of the irrigated area on the amount of generated runoff and sediment yield. In order to eliminate the impact of external factors and to improve the reproducibility of the initial conditions, the experiments were conducted in laboratory conditions. The laboratory experiments were carried out using a commercial rainfall simulator, which was connected to an external peristaltic pump. The pump maintained a constant and adjustable inflow of water, which enabled to overcome the maximum volume of simulated precipitation of 2.3 l, given by the construction of the rainfall simulator, while maintaining constant characteristics of the simulated precipitation. In this study a 12-minute rainfall with a constant intensity of 5 mm/min was used to irrigate a corrupted soil sample. The experiment was undertaken for several different slopes, under the condition of no vegetation cover. The results of the rainfall simulation experiment complied with the expectations of a strong relationship between the slope gradient, and the amount of surface runoff generated. The experiments with higher slope gradients were characterised by larger volumes of surface runoff generated, and by shorter times after which it occurred. The experiments with rainfall simulators in both laboratory and field conditions play an important role in better understanding of runoff generation processes. The results of such small scale experiments could be used to estimate some of the parameters of complex hydrological models, which are used to model rainfall-runoff and erosion processes at catchment scale.

Comparing Simulated and Experimental Data from UCN τ

NASA Astrophysics Data System (ADS)

Howard, Dezrick; Holley, Adam

2017-09-01

The UCN τ experiment is designed to measure the average lifetime of a free neutron (τn) by trapping ultracold neutrons (UCN) in a magneto-gravitational trap and allowing them to β-decay, with the ultimate goal of minimizing the uncertainty to approximately 0.01% (0.1 s). Understanding the systematics of the experiment at the level necessary to reach this high precision may help to better understand the disparity between measurements from cold neutron beam and UCN bottle experiments (τn 888 s and τn 878 s, respectively). To assist in evaluating systemics that might conceivably contribute at this level, a neutron spin-tracking Monte Carlo simulation, which models a UCN population's behavior throughout a run, is currently under development. The simulation will utilize an empirical map of the magnetic field in the trap (see poster by K. Hoffman) by interpolating the field between measured points (see poster by J. Felkins) in order to model the depolarization mechanism with high fidelity. As a preliminary step, I have checked that the Monte Carlo model can reasonably reproduce the observed behavior of the experiment. In particular, I will present a comparison between simulated data and data acquired from the 2016-2017 UCN τ run cycle.

Conductivity of molten sodium chloride in an arbitrarily weak dc electric field.

PubMed

Delhommelle, Jerome; Cummings, Peter T; Petravic, Janka

2005-09-15

We use nonequilibrium molecular-dynamics (NEMD) simulations to characterize the response of a fluid subjected to an electric field. We focus on the response for very weak fields. Fields accessible by conventional NEMD methods are typically of the order of 10(9) V m(-1), i.e., several orders of magnitude larger than those typically used in experiments. Using the transient time-correlation function, we show how NEMD simulations can be extended to study systems subjected to a realistic dc electric field. We then apply this approach to study the response of molten sodium chloride for a wide range of dc electric fields.

Walking simulator for evaluation of ophthalmic devices

NASA Astrophysics Data System (ADS)

Barabas, James; Woods, Russell L.; Peli, Eli

2005-03-01

Simulating mobility tasks in a virtual environment reduces risk for research subjects, and allows for improved experimental control and measurement. We are currently using a simulated shopping mall environment (where subjects walk on a treadmill in front of a large projected video display) to evaluate a number of ophthalmic devices developed at the Schepens Eye Research Institute for people with vision impairment, particularly visual field defects. We have conducted experiments to study subject's perception of "safe passing distance" when walking towards stationary obstacles. The subject's binary responses about potential collisions are analyzed by fitting a psychometric function, which gives an estimate of the subject's perceived safe passing distance, and the variability of subject responses. The system also enables simulations of visual field defects using head and eye tracking, enabling better understanding of the impact of visual field loss. Technical infrastructure for our simulated walking environment includes a custom eye and head tracking system, a gait feedback system to adjust treadmill speed, and a handheld 3-D pointing device. Images are generated by a graphics workstation, which contains a model with photographs of storefronts from an actual shopping mall, where concurrent validation experiments are being conducted.

reaxFF Reactive Force Field for Disulfide Mechanochemistry, Fitted to Multireference ab Initio Data.

PubMed

Müller, Julian; Hartke, Bernd

2016-08-09

Mechanochemistry, in particular in the form of single-molecule atomic force microscopy experiments, is difficult to model theoretically, for two reasons: Covalent bond breaking is not captured accurately by single-determinant, single-reference quantum chemistry methods, and experimental times of milliseconds or longer are hard to simulate with any approach. Reactive force fields have the potential to alleviate both problems, as demonstrated in this work: Using nondeterministic global parameter optimization by evolutionary algorithms, we have fitted a reaxFF force field to high-level multireference ab initio data for disulfides. The resulting force field can be used to reliably model large, multifunctional mechanochemistry units with disulfide bonds as designed breaking points. Explorative calculations show that a significant part of the time scale gap between AFM experiments and dynamical simulations can be bridged with this approach.

Insurance: An Evaluation Report for the Occupational Exploration Program.

ERIC Educational Resources Information Center

Altschuld, James W.; And Others

The evaluation report is one of seven produced for the Occupational Exploration Program (OEP), a series of simulated occupational experiences designed for junior high school students. Describing the pilot testing of the simulation dealing with the insurance field, the report contains sections describing the simulation context, evaluation…

Vortex pairing and reverse cascade in a simulated two-dimensional rocket motor-like flow field

NASA Astrophysics Data System (ADS)

Chakravarthy, Kalyana; Chakraborty, Debasis

2017-07-01

Two-dimensional large eddy simulation of a flow experiment intended for studying and understanding transition and parietal vortex shedding has brought to light some interesting features that have never been seen in previous similar simulations and have implications for future computational work on combustion instabilities in rocket motors. The frequency spectrum of pressure at head end shows a peak at the expected value associated with parietal vortex shedding but an additional peak at half this frequency emerges at downstream location. Using vorticity spectra at various distances away from the wall, it is shown that the frequency halving is due to vortex pairing as hypothesized by Dunlap et al. ["Internal flow field studies in a simulated cylindrical port rocket chamber," J. Propul. Power 6(6), 690-704 (1990)] for a similar experiment. As the flow transitions to turbulence towards the nozzle end, inertial range with Kolmogorov scaling becomes evident in the velocity spectrum. Given that the simulation is two-dimensional, such a scaling could be associated with a reverse energy cascade as per Kraichnan-Leith-Bachelor theory. By filtering the simulated flow field and identifying where the energy backscatters into the filtered scales, the regions with a reverse cascade are identified. The implications of this finding on combustion modeling are discussed.

Measuring implosion velocities in experiments and simulations of laser-driven cylindrical implosions on the OMEGA laser

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

Hansen, E. C.; Barnak, D. H.; Betti, R.

Laser-driven magnetized liner inertial fusion (MagLIF) on OMEGA involves cylindrical implosions, a preheat beam, and an applied magnetic field. Initial experiments excluded the preheat beam and magnetic field to better characterize the implosion. X-ray self-emission as measured by framing cameras was used to determine the shell trajectory. The 1-D code LILAC was used to model the central region of the implosion, and results were compared to 2-D simulations from the HYDRA code. Post-processing of simulation output with SPECT3D and Yorick produced synthetic x-ray images that were used to compare the simulation results with the x-ray framing camera data. Quantitative analysismore » shows that higher measured neutron yields correlate with higher implosion velocities. The future goal is to further analyze the x-ray images to characterize the uniformity of the implosions and apply these analysis techniques to integrated laser-driven MagLIF shots to better understand the effects of preheat and the magnetic field.« less

Computer simulations of plasma-biomolecule and plasma-tissue interactions for a better insight in plasma medicine

NASA Astrophysics Data System (ADS)

Neyts, Erik C.; Yusupov, Maksudbek; Verlackt, Christof C.; Bogaerts, Annemie

2014-07-01

Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry, biochemistry, physics, biology, medicine and bioengineering. It holds great potential in medical, health care, dentistry, surgical, food treatment and other applications. This multidisciplinary nature and variety of possible applications come along with an inherent and intrinsic complexity. Advancing plasma medicine to the stage that it becomes an everyday tool in its respective fields requires a fundamental understanding of the basic processes, which is lacking so far. However, some major advances have already been made through detailed experiments over the last 15 years. Complementary, computer simulations may provide insight that is difficult—if not impossible—to obtain through experiments. In this review, we aim to provide an overview of the various simulations that have been carried out in the context of plasma medicine so far, or that are relevant for plasma medicine. We focus our attention mostly on atomistic simulations dealing with plasma-biomolecule interactions. We also provide a perspective and tentative list of opportunities for future modelling studies that are likely to further advance the field.

Measuring implosion velocities in experiments and simulations of laser-driven cylindrical implosions on the OMEGA laser

DOE PAGES

Hansen, E. C.; Barnak, D. H.; Betti, R.; ...

2018-04-04

Laser-driven magnetized liner inertial fusion (MagLIF) on OMEGA involves cylindrical implosions, a preheat beam, and an applied magnetic field. Initial experiments excluded the preheat beam and magnetic field to better characterize the implosion. X-ray self-emission as measured by framing cameras was used to determine the shell trajectory. The 1-D code LILAC was used to model the central region of the implosion, and results were compared to 2-D simulations from the HYDRA code. Post-processing of simulation output with SPECT3D and Yorick produced synthetic x-ray images that were used to compare the simulation results with the x-ray framing camera data. Quantitative analysismore » shows that higher measured neutron yields correlate with higher implosion velocities. The future goal is to further analyze the x-ray images to characterize the uniformity of the implosions and apply these analysis techniques to integrated laser-driven MagLIF shots to better understand the effects of preheat and the magnetic field.« less

Comparison of different types of medium scale field rainfall simulators

NASA Astrophysics Data System (ADS)

Dostál, Tomáš; Strauss, Peter; Schindewolf, Marcus; Kavka, Petr; Schmidt, Jürgen; Bauer, Miroslav; Neumann, Martin; Kaiser, Andreas; Iserloh, Thomas

2015-04-01

Rainfall simulators are used in numerous experiments to study runoff and soil erosion characteristics. However, they usually differ in their construction details, rainfall generation, plot size and other technical parameters. As field experiments using medium to large scale rainfall simulators (plot length 3 - 8 m) are very much time and labor consuming, close cooperation of individual teams and comparability of results is highly desirable to enlarge the database of results. Two experimental campaigns were organized to compare three field rainfall simulators of similar scale (plot size), but with different technical parameters. The results were then compared, to identify parameters that are crucial for soil loss and surface runoff formation and test if results from individual devices can be reliably compared. The rainfall simulators compared were: field rainfall simulator of CTU Prague (the Czech Republic) (Kavka et al., 2012; EGU2015-11025), field simulator of BAW (Austria) (Strauss et al., 2002) and field simulator of TU Bergakademie Freiberg (Germany) (Schindewolf & Schmidt 2012). The device of CTU Prague is usually applied to a plot size of 9,5 x 2 m employing 4 nozzles SS Full Jet 40WSQ mounted on folding arm, working pressure is 0.8 bar, height of nozzles is 2.65 m. The intensity of rainfall is regulated electronically, which leaves the nozzle opened only for certain time. The rainfall simulator of BAW is constructed as a modular system, which is usually applied for a length of 5 m (area 2 x 5 m), using 6 nozzles SS Full Jet 40WSQ. Usual working pressure is 0.25 bar. Elevation of nozzles is 2.6 m. The intensity of rainfall is regulated electronically, which leaves the nozzle opened only for certain time. The device of TU Bergakademie Freiberg is also standard modular system, working usually with a plot size of 3 x 1 m, using 3 oscillating VeeJet 80/100 nozzles with an usual operating pressure of 0.5 bar. Intensity is regulated by the frequency of sweeps above the experimental plot. Comparison was done during two independent campaigns, where always two devices were present. Rainfall intensity for the experiments varied between 40 to 60 mm/h. Mutual comparison was carried out between the CTU Prague and TU Freiberg RSs at plot size of 3 x 1 m and Between CTU Prague and BAW RSs at plot size of 5 x 2 m. In general, the experiments revealed a significant effect of potential heterogeneities at the experimental plots and an effect of raindrop energy on both surface runoff formation and mainly soil loss. Therefore, coordination of methodology of the experiments and careful control of initial conditions seem to be a crucial point for comparability of results from individual devices. Detailed results will be presented on the poster. The research has been supported by the research grants SGS14/180/OHK1/3T/11, QJ1230056 and 7AMB14AT020. References Kavka, P., Davidová, T., Janotová, B., Bauer, M. a Dostál, T. 2012. Mobilní dešťový simulátor.(in Czech), Stavební obzor. 8, 2012. Schindewolf, M. & J. Schmidt (2012): Parameterization of the EROSION 2D/3D soil erosion model using a small-scale rainfall simulator and upstream runoff simulation, Catena 91, pp. 47-55, DOI: 10.1016/j.catena.2011.01.007 Strauss P., J.Pitty, M.Pfeffer, A. Mentler (2000): Rainfall Simulation for Outdoor Experiments. In: P. Jamet, J. Cornejo(eds.): Current research methods to assess the environmental fate of pesticides. pp. 329-333, INRA Editions.

Role of a cumulus parameterization scheme in simulating atmospheric circulation and rainfall in the nine-layer Goddard Laboratory for Atmospheres General Circulation Model

NASA Technical Reports Server (NTRS)

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

1992-01-01

The influence of a cumulus convection scheme on the simulated atmospheric circulation and hydrologic cycle is investigated by means of a coarse version of the GCM. Two sets of integrations, each containing an ensemble of three summer simulations, were produced. The ensemble sets of control and experiment simulations are compared and differentially analyzed to determine the influence of a cumulus convection scheme on the simulated circulation and hydrologic cycle. The results show that cumulus parameterization has a very significant influence on the simulation circulation and precipitation. The upper-level condensation heating over the ITCZ is much smaller for the experiment simulations as compared to the control simulations; correspondingly, the Hadley and Walker cells for the control simulations are also weaker and are accompanied by a weaker Ferrel cell in the Southern Hemisphere. Overall, the difference fields show that experiment simulations (without cumulus convection) produce a cooler and less energetic atmosphere.

Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study

NASA Astrophysics Data System (ADS)

Cazade, Pierre-André; Tran, Halina; Bereau, Tristan; Das, Akshaya K.; Kläsi, Felix; Hamm, Peter; Meuwly, Markus

2015-06-01

The solvent dynamics around fluorinated acetonitrile is characterized by 2-dimensional infrared spectroscopy and atomistic simulations. The lineshape of the linear infrared spectrum is better captured by semiempirical (density functional tight binding) mixed quantum mechanical/molecular mechanics simulations, whereas force field simulations with multipolar interactions yield lineshapes that are significantly too narrow. For the solvent dynamics, a relatively slow time scale of 2 ps is found from the experiments and supported by the mixed quantum mechanical/molecular mechanics simulations. With multipolar force fields fitted to the available thermodynamical data, the time scale is considerably faster—on the 0.5 ps time scale. The simulations provide evidence for a well established CF-HOH hydrogen bond (population of 25%) which is found from the radial distribution function g(r) from both, force field and quantum mechanics/molecular mechanics simulations.

Multimode marine engine room simulation system based on field bus technology

NASA Astrophysics Data System (ADS)

Zheng, Huayao; Deng, Linlin; Guo, Yi

2003-09-01

Developing multi mode MER (Marine Engine Room) Labs is the main work in Marine Simulation Center, which is the key lab of Communication Ministry of China. It includes FPP (Fixed Pitch Propeller) and CPP (Controllable Pitch Propeller) mode MER simulation systems, integrated electrical propulsion mode MER simulation system, physical mode MER lab, etc. FPP mode simulation system, which was oriented to large container ship, had been completed since 1999, and got second level of Shanghai Municipal Science and Technical Progress award. This paper mainly introduces the recent development and achievements of Marine Simulation Center. Based on the Lon Works field bus, the structure characteristics and control strategies of completely distributed intelligent control network are discussed. The experiment mode of multi-nodes field bus detection and control system is described. Besides, intelligent fault diagnosis technology about some mechatronics integration control systems explored is also involved.

A new solver for granular avalanche simulation: Indoor experiment verification and field scale case study

NASA Astrophysics Data System (ADS)

Wang, XiaoLiang; Li, JiaChun

2017-12-01

A new solver based on the high-resolution scheme with novel treatments of source terms and interface capture for the Savage-Hutter model is developed to simulate granular avalanche flows. The capability to simulate flow spread and deposit processes is verified through indoor experiments of a two-dimensional granular avalanche. Parameter studies show that reduction in bed friction enhances runout efficiency, and that lower earth pressure restraints enlarge the deposit spread. The April 9, 2000, Yigong avalanche in Tibet, China, is simulated as a case study by this new solver. The predicted results, including evolution process, deposit spread, and hazard impacts, generally agree with site observations. It is concluded that the new solver for the Savage-Hutter equation provides a comprehensive software platform for granular avalanche simulation at both experimental and field scales. In particular, the solver can be a valuable tool for providing necessary information for hazard forecasts, disaster mitigation, and countermeasure decisions in mountainous areas.

Hydration and Ion Pairing in Aqueous Mg2+ and Zn2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations.

PubMed

Duboué-Dijon, Elise; Mason, Philip E; Fischer, Henry E; Jungwirth, Pavel

2018-04-05

Magnesium and zinc dications possess the same charge and have an almost identical size, yet they behave very differently in aqueous solutions and play distinct biological roles. It is thus crucial to identify the origins of such different behaviors and to assess to what extent they can be captured by force-field molecular dynamics simulations. In this work, we combine neutron scattering experiments in a specific mixture of H 2 O and D 2 O (the so-called null water) with ab initio molecular dynamics simulations to probe the difference in the hydration structure and ion-pairing properties of chloride solutions of the two cations. The obtained data are used as a benchmark to develop a scaled-charge force field for Mg 2+ that includes electronic polarization in a mean field way. We show that using this electronic continuum correction we can describe aqueous magnesium chloride solutions well. However, in aqueous zinc chloride specific interaction terms between the ions need to be introduced to capture ion pairing quantitatively.

Validation of design procedure and performance modeling of a heat and fluid transport field experiment in the unsaturated zone

NASA Astrophysics Data System (ADS)

Nir, A.; Doughty, C.; Tsang, C. F.

Validation methods which developed in the context of deterministic concepts of past generations often cannot be directly applied to environmental problems, which may be characterized by limited reproducibility of results and highly complex models. Instead, validation is interpreted here as a series of activities, including both theoretical and experimental tests, designed to enhance our confidence in the capability of a proposed model to describe some aspect of reality. We examine the validation process applied to a project concerned with heat and fluid transport in porous media, in which mathematical modeling, simulation, and results of field experiments are evaluated in order to determine the feasibility of a system for seasonal thermal energy storage in shallow unsaturated soils. Technical details of the field experiments are not included, but appear in previous publications. Validation activities are divided into three stages. The first stage, carried out prior to the field experiments, is concerned with modeling the relevant physical processes, optimization of the heat-exchanger configuration and the shape of the storage volume, and multi-year simulation. Subjects requiring further theoretical and experimental study are identified at this stage. The second stage encompasses the planning and evaluation of the initial field experiment. Simulations are made to determine the experimental time scale and optimal sensor locations. Soil thermal parameters and temperature boundary conditions are estimated using an inverse method. Then results of the experiment are compared with model predictions using different parameter values and modeling approximations. In the third stage, results of an experiment performed under different boundary conditions are compared to predictions made by the models developed in the second stage. Various aspects of this theoretical and experimental field study are described as examples of the verification and validation procedure. There is no attempt to validate a specific model, but several models of increasing complexity are compared with experimental results. The outcome is interpreted as a demonstration of the paradigm proposed by van der Heijde, 26 that different constituencies have different objectives for the validation process and therefore their acceptance criteria differ also.

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.

Multi-Fluid Simulations of Field Reversed Configuration Formation

NASA Astrophysics Data System (ADS)

Sousa, Eder; Martin, Robert

2017-10-01

The use of field reversed configuration (FRC) have been studied extensively for fusion application but here we investigate them for propulsion purposes. FRCs have the potential to produce highly variable thrust and specific impulse using different gases as propellant. Aspects of the FRC formation physics, using a rotating magnetic field (RMF) at low power, are simulated using a multi-fluid plasma model. Results are compared with experimental observations with emphasis in the development of instabilities and robustness of the field reversal. The use of collisional radiative models are used to help compare experiment versus simulation results. Distribution A: Approved for public release; distribution unlimited; Clearance No. 17445. This work is supported by the Air Force Office of Scientific Research Grant Number 17RQCOR465.

Applied axial magnetic field effects on laboratory plasma jets: Density hollowing, field compression, and azimuthal rotation

DOE PAGES

Byvank, T.; Banasek, J. T.; Potter, W. M.; ...

2017-12-07

We experimentally measure the effects of an applied axial magnetic field (B z) on laboratory plasma jets and compare experimental results with numerical simulations using an extended magnetohydrodynamics code. A 1 MA peak current, 100 ns rise time pulse power machine is used to generate the plasma jet. On application of the axial field, we observe on-axis density hollowing and a conical formation of the jet using interferometry, compression of the applied B z using magnetic B-dot probes, and azimuthal rotation of the jet using Thomson scattering. Experimentally, we find densities ≤ 5×10 17 cm -3 on-axis relative to jetmore » densities of ≥ 3×10 18 cm -3. For aluminum jets, 6.5 ± 0.5 mm above the foil, we find on-axis compression of the applied 1.0 ± 0.1 T B z to a total 2.4 ± 0.3 T, while simulations predict a peak compression to a total 3.4 T at the same location. On the aluminum jet boundary, we find ion azimuthal rotation velocities of 15-20 km/s, while simulations predict 14 km/s at the density peak. We discuss possible sources of discrepancy between the experiments and simulations, including: surface plasma on B-dot probes, optical fiber spatial resolution, simulation density floors, and 2D vs. 3D simulation effects. Lastly, this quantitative comparison between experiments and numerical simulations helps elucidate the underlying physics that determine the plasma dynamics of magnetized plasma jets.« less

Applied axial magnetic field effects on laboratory plasma jets: Density hollowing, field compression, and azimuthal rotation

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

Byvank, T.; Banasek, J. T.; Potter, W. M.

We experimentally measure the effects of an applied axial magnetic field (B z) on laboratory plasma jets and compare experimental results with numerical simulations using an extended magnetohydrodynamics code. A 1 MA peak current, 100 ns rise time pulse power machine is used to generate the plasma jet. On application of the axial field, we observe on-axis density hollowing and a conical formation of the jet using interferometry, compression of the applied B z using magnetic B-dot probes, and azimuthal rotation of the jet using Thomson scattering. Experimentally, we find densities ≤ 5×10 17 cm -3 on-axis relative to jetmore » densities of ≥ 3×10 18 cm -3. For aluminum jets, 6.5 ± 0.5 mm above the foil, we find on-axis compression of the applied 1.0 ± 0.1 T B z to a total 2.4 ± 0.3 T, while simulations predict a peak compression to a total 3.4 T at the same location. On the aluminum jet boundary, we find ion azimuthal rotation velocities of 15-20 km/s, while simulations predict 14 km/s at the density peak. We discuss possible sources of discrepancy between the experiments and simulations, including: surface plasma on B-dot probes, optical fiber spatial resolution, simulation density floors, and 2D vs. 3D simulation effects. Lastly, this quantitative comparison between experiments and numerical simulations helps elucidate the underlying physics that determine the plasma dynamics of magnetized plasma jets.« less

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

NASA Technical Reports Server (NTRS)

Smith, Laura J.

2004-01-01

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

Developing a molecular dynamics force field for both folded and disordered protein states.

PubMed

Robustelli, Paul; Piana, Stefano; Shaw, David E

2018-05-07

Molecular dynamics (MD) simulation is a valuable tool for characterizing the structural dynamics of folded proteins and should be similarly applicable to disordered proteins and proteins with both folded and disordered regions. It has been unclear, however, whether any physical model (force field) used in MD simulations accurately describes both folded and disordered proteins. Here, we select a benchmark set of 21 systems, including folded and disordered proteins, simulate these systems with six state-of-the-art force fields, and compare the results to over 9,000 available experimental data points. We find that none of the tested force fields simultaneously provided accurate descriptions of folded proteins, of the dimensions of disordered proteins, and of the secondary structure propensities of disordered proteins. Guided by simulation results on a subset of our benchmark, however, we modified parameters of one force field, achieving excellent agreement with experiment for disordered proteins, while maintaining state-of-the-art accuracy for folded proteins. The resulting force field, a99SB- disp , should thus greatly expand the range of biological systems amenable to MD simulation. A similar approach could be taken to improve other force fields. Copyright © 2018 the Author(s). Published by PNAS.

The effect of a guide field on local energy conversion during asymmetric magnetic reconnection: Particle-in-cell simulations

NASA Astrophysics Data System (ADS)

Cassak, P.; Genestreti, K.; Burch, J. L.; Shay, M.; Swisdak, M.; Drake, J. F.; Price, L.; Eriksson, S.; Anderson, B. J.; Merkin, V. G.; Komar, C. M.; Phan, T.; Ergun, R.

2017-12-01

We use theoretical and computational techniques to study how the out-of-plane (guide) magnetic field strength modifies the location where the energy conversion rate between the electric field and the plasma is appreciable during asymmetric magnetic reconnection, motivated by observations by Genestreti et al. (J. Geophys. Res, submitted). For weak guide fields, the energy conversion rate is maximum midway between the X-line and electron stagnation point. As the guide field increases, it moves towards the electron stagnation point. We motivate how to extend the theory of the location of the stagnation points to include the effect of a guide field. The predictions are compared to two-dimensional (2D) particle-in-cell (PIC) simulations with vastly different guide fields. The simulations have upstream parameters corresponding to three reconnection events observed with MMS. The predictions agree reasonably well with the simulation results, having captured trends with the guide field. The theory correctly predicts that the energy conversion is closer to the X-line in the absolute sense as the guide field increases. The results are then compared to MMS observations, Active Magnetosphere and Planetary Electrodynamics Response Experiment (AMPERE) observations of each event, and global resistive magnetohydrodynamics simulations of the 2015 Oct 16 event. The PIC simulation results agree well with the global observations and simulations, but differ in the strong electric fields and energy conversion rates found in the MMS observations. The results suggest that the strong electric fields observed by MMS do not represent a steady global rate.

First experiments probing the collision of parallel magnetic fields using laser-produced plasmas

DOE PAGES

Rosenberg, M. J.; Li, C. K.; Fox, W.; ...

2015-04-08

Novel experiments to study the strongly-driven collision of parallel magnetic fields in β~10, laser-produced plasmas have been conducted using monoenergetic proton radiography. These experiments were designed to probe the process of magnetic flux pileup, which has been identified in prior laser-plasma experiments as a key physical mechanism in the reconnection of anti-parallel magnetic fields when the reconnection inflow is dominated by strong plasma flows. In the present experiments using colliding plasmas carrying parallel magnetic fields, the magnetic flux is found to be conserved and slightly compressed in the collision region. Two-dimensional (2D) particle-in-cell (PIC) simulations predict a stronger flux compressionmore » and amplification of the magnetic field strength, and this discrepancy is attributed to the three-dimensional (3D) collision geometry. Future experiments may drive a stronger collision and further explore flux pileup in the context of the strongly-driven interaction of magnetic fields.« less

Plasma Wake-field Acceleration in the Blow-out Regime

NASA Astrophysics Data System (ADS)

Barov, Nikolai; Rosenzweig, James

1999-11-01

Recent experiments at Argonne National Laboratory, investigating the blow-out regime of the plasma wake-field accelerator, are discussed. These experiments achieved stable underdense (beam denser than the ambient plasma density) beam transport, and measured average acceleration of 25 MV/m, corresponding to peak wave fields of over 60 MVm. A comparison of the results to simulation is given, and the physics of the system is discussed. Potential for improvements in performance and achieved acceleration gradient, as well as accelerated beam quality are examined within the context of the next generation of experiments at the Fermilab Test Facility. The status of these experiments will be given.

Can plants grow on Mars and the moon: a growth experiment on Mars and moon soil simulants.

PubMed

Wamelink, G W Wieger; Frissel, Joep Y; Krijnen, Wilfred H J; Verwoert, M Rinie; Goedhart, Paul W

2014-01-01

When humans will settle on the moon or Mars they will have to eat there. Food may be flown in. An alternative could be to cultivate plants at the site itself, preferably in native soils. We report on the first large-scale controlled experiment to investigate the possibility of growing plants in Mars and moon soil simulants. The results show that plants are able to germinate and grow on both Martian and moon soil simulant for a period of 50 days without any addition of nutrients. Growth and flowering on Mars regolith simulant was much better than on moon regolith simulant and even slightly better than on our control nutrient poor river soil. Reflexed stonecrop (a wild plant); the crops tomato, wheat, and cress; and the green manure species field mustard performed particularly well. The latter three flowered, and cress and field mustard also produced seeds. Our results show that in principle it is possible to grow crops and other plant species in Martian and Lunar soil simulants. However, many questions remain about the simulants' water carrying capacity and other physical characteristics and also whether the simulants are representative of the real soils.

Can Plants Grow on Mars and the Moon: A Growth Experiment on Mars and Moon Soil Simulants

PubMed Central

Wamelink, G. W. Wieger; Frissel, Joep Y.; Krijnen, Wilfred H. J.; Verwoert, M. Rinie; Goedhart, Paul W.

2014-01-01

When humans will settle on the moon or Mars they will have to eat there. Food may be flown in. An alternative could be to cultivate plants at the site itself, preferably in native soils. We report on the first large-scale controlled experiment to investigate the possibility of growing plants in Mars and moon soil simulants. The results show that plants are able to germinate and grow on both Martian and moon soil simulant for a period of 50 days without any addition of nutrients. Growth and flowering on Mars regolith simulant was much better than on moon regolith simulant and even slightly better than on our control nutrient poor river soil. Reflexed stonecrop (a wild plant); the crops tomato, wheat, and cress; and the green manure species field mustard performed particularly well. The latter three flowered, and cress and field mustard also produced seeds. Our results show that in principle it is possible to grow crops and other plant species in Martian and Lunar soil simulants. However, many questions remain about the simulants' water carrying capacity and other physical characteristics and also whether the simulants are representative of the real soils. PMID:25162657

Research on the novel FBG detection system for temperature and strain field distribution

NASA Astrophysics Data System (ADS)

Liu, Zhi-chao; Yang, Jin-hua

2017-10-01

In order to collect the information of temperature and strain field distribution information, the novel FBG detection system was designed. The system applied linear chirped FBG structure for large bandwidth. The structure of novel FBG cover was designed as a linear change in thickness, in order to have a different response at different locations. It can obtain the temperature and strain field distribution information by reflection spectrum simultaneously. The structure of novel FBG cover was designed, and its theoretical function is calculated. Its solution is derived for strain field distribution. By simulation analysis the change trend of temperature and strain field distribution were analyzed in the conditions of different strain strength and action position, the strain field distribution can be resolved. The FOB100 series equipment was used to test the temperature in experiment, and The JSM-A10 series equipment was used to test the strain field distribution in experiment. The average error of experimental results was better than 1.1% for temperature, and the average error of experimental results was better than 1.3% for strain. There were individual errors when the strain was small in test data. It is feasibility by theoretical analysis, simulation calculation and experiment, and it is very suitable for application practice.

A comprehensive study of electrostatic turbulence and transport in the laboratory basic plasma device TORPEX

NASA Astrophysics Data System (ADS)

Furno, I.; Fasoli, A.; Avino, F.; Bovet, A.; Gustafson, K.; Iraji, D.; Labit, B.; Loizu, J.; Ricci, P.; Theiler, C.

2012-04-01

TORPEX is a toroidal device located at the CRPP-EPFL in Lausanne. In TORPEX, a vertical magnetic field superposed on a toroidal field creates helicoidal field lines with both ends terminating on the torus vessel. The turbulence driven by magnetic curvature and plasma gradients causes plasma transport in the radial direction while at the same time plasma is progressively lost along the field lines. The relatively simple magnetic geometry and diagnostic access of the TORPEX configuration facilitate the experimental study of low frequency instabilities and related turbulent transport, and make an accurate comparison between simulations and experiments possible. We first present a detailed investigation of electrostatic interchange turbulence, associated structures and their effect on plasma using high-resolution diagnostics of plasma parameters and wave fields throughout the whole device cross-section, fluid models and numerical simulations. Interchange modes nonlinearly develop blobs, radially propagating filaments of enhanced plasma pressure. Blob velocities and sizes are obtained from probe measurements using pattern recognition and are described by an analytical expression that includes ion polarization currents, parallel sheath currents and ion-neutral collisions. Then, we describe recent advances of a non-perturbative Li 6+ miniaturized ion source and a detector for the investigation of the interaction between supra thermal ions and interchange-driven turbulence. We present first measurements of the spatial and energy space distribution of the fast ion beam in different plasma scenarios, in which the plasma turbulence is fully characterized. The experiments are interpreted using two-dimensional fluid simulations describing the low-frequency interchange turbulence, taking into account the plasma source and plasma losses at the torus vessel. By treating fast ions as test particles, we integrate their equations of motion in the simulated electromagnetic fields, and we compare their time-averaged and statistical properties with experimental data. Finally, we discuss future developments including the possibility of closing the magnetic field lines and of performing magnetic reconnection experiments.

Validation of single-fluid and two-fluid magnetohydrodynamic models of the helicity injected torus spheromak experiment with the NIMROD code

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

Akcay, Cihan; Victor, Brian S.; Jarboe, Thomas R.

We present a comparison study of 3-D pressureless resistive MHD (rMHD) and 3-D presureless two-fluid MHD models of the Helicity Injected Torus with Steady Inductive helicity injection (HIT-SI). HIT-SI is a current drive experiment that uses two geometrically asymmetric helicity injectors to generate and sustain toroidal plasmas. The comparable size of the collisionless ion skin depth d{sub i} to the resistive skin depth predicates the importance of the Hall term for HIT-SI. The simulations are run with NIMROD, an initial-value, 3-D extended MHD code. The modeled plasma density and temperature are assumed uniform and constant. The helicity injectors are modeledmore » as oscillating normal magnetic and parallel electric field boundary conditions. The simulations use parameters that closely match those of the experiment. The simulation output is compared to the formation time, plasma current, and internal and surface magnetic fields. Results of the study indicate 2fl-MHD shows quantitative agreement with the experiment while rMHD only captures the qualitative features. The validity of each model is assessed based on how accurately it reproduces the global quantities as well as the temporal and spatial dependence of the measured magnetic fields. 2fl-MHD produces the current amplification (I{sub tor}/I{sub inj}) and formation time τ{sub f} demonstrated by HIT-SI with similar internal magnetic fields. rMHD underestimates (I{sub tor}/I{sub inj}) and exhibits much a longer τ{sub f}. Biorthogonal decomposition (BD), a powerful mathematical tool for reducing large data sets, is employed to quantify how well the simulations reproduce the measured surface magnetic fields without resorting to a probe-by-probe comparison. BD shows that 2fl-MHD captures the dominant surface magnetic structures and the temporal behavior of these features better than rMHD.« less

Designing a Wien Filter Model with General Particle Tracer

NASA Astrophysics Data System (ADS)

Mitchell, John; Hofler, Alicia

2017-09-01

The Continuous Electron Beam Accelerator Facility injector employs a beamline component called a Wien filter which is typically used to select charged particles of a certain velocity. The Wien filter is also used to rotate the polarization of a beam for parity violation experiments. The Wien filter consists of perpendicular electric and magnetic fields. The electric field changes the spin orientation, but also imposes a transverse kick which is compensated for by the magnetic field. The focus of this project was to create a simulation of the Wien filter using General Particle Tracer. The results from these simulations were vetted against machine data to analyze the accuracy of the Wien model. Due to the close agreement between simulation and experiment, the data suggest that the Wien filter model is accurate. The model allows a user to input either the desired electric or magnetic field of the Wien filter along with the beam energy as parameters, and is able to calculate the perpendicular field strength required to keep the beam on axis. The updated model will aid in future diagnostic tests of any beamline component downstream of the Wien filter, and allow users to easily calculate the electric and magnetic fields needed for the filter to function properly. Funding support provided by DOE Office of Science's Student Undergraduate Laboratory Internship program.

Simulated Classrooms and Artificial Students: The Potential Effects of New Technologies on Teacher Education.

ERIC Educational Resources Information Center

Brown, Abbie Howard

1999-01-01

Describes and discusses how simulation activities can be used in teacher education to augment the traditional field-experience approach, focusing on artificial intelligence, virtual reality, and intelligent tutoring systems. Includes an overview of simulation as a teaching and learning strategy and specific examples of high-technology simulations…

Experimental controlled-NOT gate simulation with thermal light

PubMed Central

Peng, Tao; Tamma, Vincenzo; Shih, Yanhua

2016-01-01

We report a recent experimental simulation of a controlled-NOT gate operation based on polarization correlation measurements of thermal fields in photon-number fluctuations. The interference between pairs of correlated paths at the very heart of these experiments has the potential for the simulation of correlations between a larger number of qubits. PMID:27439330

Experimental and Numerical Investigation of Guest Molecule Exchange Kinetics based on the 2012 Ignik Sikumi Gas Hydrate Field Trial

NASA Astrophysics Data System (ADS)

Ruprecht Yonkofski, C. M.; Horner, J.; White, M. D.

2015-12-01

In 2012 the U.S. DOE/NETL, ConocoPhillips Company, and Japan Oil, Gas and Metals National Corporation jointly sponsored the first field trial of injecting a mixture of N2-CO2 into a CH4-hydrate bearing formation beneath the permafrost on the Alaska North Slope. Known as the Ignik Sikumi #1 Gas Hydrate Field Trial, this experiment involved three stages: 1) the injection of a N2-CO2 mixture into a targeted hydrate-bearing layer, 2) a 4-day pressurized soaking period, and 3) a sustained depressurization and fluid production period. Data collected during the three stages of the field trial were made available after a thorough quality check. The Ignik Sikumi #1 data set is extensive, but contains no direct evidence of the guest-molecule exchange process. This study uses numerical simulation to provide an interpretation of the CH4/CO2/N2 guest molecule exchange process that occurred at Ignik Sikumi #1. Simulations were further informed by experimental observations. The goal of the scoping experiments was to understand kinetic exchange rates and develop parameters for use in Iġnik Sikumi history match simulations. The experimental procedure involves two main stages: 1) the formation of CH4 hydrate in a consolidated sand column at 750 psi and 2°C and 2) flow-through of a 77.5/22.5 N2/CO2 molar ratio gas mixture across the column. Experiments were run both above and below the hydrate stability zone in order to observe exchange behavior across varying conditions. The numerical simulator, STOMP-HYDT-KE, was then used to match experimental results, specifically fitting kinetic behavior. Once this behavior is understood, it can be applied to field scale models based on Ignik Sikumi #1.

Numerical simulation of NQR/NMR: Applications in quantum computing.

PubMed

Possa, Denimar; Gaudio, Anderson C; Freitas, Jair C C

2011-04-01

A numerical simulation program able to simulate nuclear quadrupole resonance (NQR) as well as nuclear magnetic resonance (NMR) experiments is presented, written using the Mathematica package, aiming especially applications in quantum computing. The program makes use of the interaction picture to compute the effect of the relevant nuclear spin interactions, without any assumption about the relative size of each interaction. This makes the program flexible and versatile, being useful in a wide range of experimental situations, going from NQR (at zero or under small applied magnetic field) to high-field NMR experiments. Some conditions specifically required for quantum computing applications are implemented in the program, such as the possibility of use of elliptically polarized radiofrequency and the inclusion of first- and second-order terms in the average Hamiltonian expansion. A number of examples dealing with simple NQR and quadrupole-perturbed NMR experiments are presented, along with the proposal of experiments to create quantum pseudopure states and logic gates using NQR. The program and the various application examples are freely available through the link http://www.profanderson.net/files/nmr_nqr.php. Copyright © 2011 Elsevier Inc. All rights reserved.

Paramagnetic colloids: Chaotic routes to clusters and molecules

NASA Astrophysics Data System (ADS)

Abdi, Hamed; Soheilian, Rasam; Erb, Randall M.; Maloney, Craig E.

2018-03-01

We present computer simulations and experiments on dilute suspensions of superparamagnetic particles subject to rotating magnetic fields. We focus on chains of four particles and their decay routes to stable structures. At low rates, the chains track the external field. At intermediate rates, the chains break up but perform a periodic (albeit complex) motion. At sufficiently high rates, the chains generally undergo chaotic motion at short times and decay to either closely packed clusters or more dispersed, colloidal molecules at long times. We show that the transition out of the chaotic states can be described as a Poisson process in both simulation and experiment.

Measurements and simulation of forest leaf area index and net primary productivity in Northern China.

PubMed

Wang, P; Sun, R; Hu, J; Zhu, Q; Zhou, Y; Li, L; Chen, J M

2007-11-01

Large scale process-based modeling is a useful approach to estimate distributions of global net primary productivity (NPP). In this paper, in order to validate an existing NPP model with observed data at site level, field experiments were conducted at three sites in northern China. One site is located in Qilian Mountain in Gansu Province, and the other two sites are in Changbaishan Natural Reserve and Dunhua County in Jilin Province. Detailed field experiments are discussed and field data are used to validate the simulated NPP. Remotely sensed images including Landsat Enhanced Thematic Mapper plus (ETM+, 30 m spatial resolution in visible and near infrared bands) and Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER, 15m spatial resolution in visible and near infrared bands) are used to derive maps of land cover, leaf area index, and biomass. Based on these maps, field measured data, soil texture and daily meteorological data, NPP of these sites are simulated for year 2001 with the boreal ecosystem productivity simulator (BEPS). The NPP in these sites ranges from 80 to 800 gCm(-2)a(-1). The observed NPP agrees well with the modeled NPP. This study suggests that BEPS can be used to estimate NPP in northern China if remotely sensed images of high spatial resolution are available.

Kassiopeia: a modern, extensible C++ particle tracking package

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

Furse, Daniel; Groh, Stefan; Trost, Nikolaus

The Kassiopeia particle tracking framework is an object-oriented software package using modern C++ techniques, written originally to meet the needs of the KATRIN collaboration. Kassiopeia features a new algorithmic paradigm for particle tracking simulations which targets experiments containing complex geometries and electromagnetic fields, with high priority put on calculation efficiency, customizability, extensibility, and ease-of-use for novice programmers. To solve Kassiopeia's target physics problem the software is capable of simulating particle trajectories governed by arbitrarily complex differential equations of motion, continuous physics processes that may in part be modeled as terms perturbing that equation of motion, stochastic processes that occur inmore » flight such as bulk scattering and decay, and stochastic surface processes occurring at interfaces, including transmission and reflection effects. This entire set of computations takes place against the backdrop of a rich geometry package which serves a variety of roles, including initialization of electromagnetic field simulations and the support of state-dependent algorithm-swapping and behavioral changes as a particle's state evolves. Thanks to the very general approach taken by Kassiopeia it can be used by other experiments facing similar challenges when calculating particle trajectories in electromagnetic fields. It is publicly available at https://github.com/KATRIN-Experiment/Kassiopeia.« less

Kassiopeia: a modern, extensible C++ particle tracking package

DOE PAGES

Furse, Daniel; Groh, Stefan; Trost, Nikolaus; ...

2017-05-16

The Kassiopeia particle tracking framework is an object-oriented software package using modern C++ techniques, written originally to meet the needs of the KATRIN collaboration. Kassiopeia features a new algorithmic paradigm for particle tracking simulations which targets experiments containing complex geometries and electromagnetic fields, with high priority put on calculation efficiency, customizability, extensibility, and ease-of-use for novice programmers. To solve Kassiopeia's target physics problem the software is capable of simulating particle trajectories governed by arbitrarily complex differential equations of motion, continuous physics processes that may in part be modeled as terms perturbing that equation of motion, stochastic processes that occur inmore » flight such as bulk scattering and decay, and stochastic surface processes occurring at interfaces, including transmission and reflection effects. This entire set of computations takes place against the backdrop of a rich geometry package which serves a variety of roles, including initialization of electromagnetic field simulations and the support of state-dependent algorithm-swapping and behavioral changes as a particle's state evolves. Thanks to the very general approach taken by Kassiopeia it can be used by other experiments facing similar challenges when calculating particle trajectories in electromagnetic fields. It is publicly available at https://github.com/KATRIN-Experiment/Kassiopeia.« less

Kassiopeia: a modern, extensible C++ particle tracking package

NASA Astrophysics Data System (ADS)

Furse, Daniel; Groh, Stefan; Trost, Nikolaus; Babutzka, Martin; Barrett, John P.; Behrens, Jan; Buzinsky, Nicholas; Corona, Thomas; Enomoto, Sanshiro; Erhard, Moritz; Formaggio, Joseph A.; Glück, Ferenc; Harms, Fabian; Heizmann, Florian; Hilk, Daniel; Käfer, Wolfgang; Kleesiek, Marco; Leiber, Benjamin; Mertens, Susanne; Oblath, Noah S.; Renschler, Pascal; Schwarz, Johannes; Slocum, Penny L.; Wandkowsky, Nancy; Wierman, Kevin; Zacher, Michael

2017-05-01

The Kassiopeia particle tracking framework is an object-oriented software package using modern C++ techniques, written originally to meet the needs of the KATRIN collaboration. Kassiopeia features a new algorithmic paradigm for particle tracking simulations which targets experiments containing complex geometries and electromagnetic fields, with high priority put on calculation efficiency, customizability, extensibility, and ease-of-use for novice programmers. To solve Kassiopeia's target physics problem the software is capable of simulating particle trajectories governed by arbitrarily complex differential equations of motion, continuous physics processes that may in part be modeled as terms perturbing that equation of motion, stochastic processes that occur in flight such as bulk scattering and decay, and stochastic surface processes occurring at interfaces, including transmission and reflection effects. This entire set of computations takes place against the backdrop of a rich geometry package which serves a variety of roles, including initialization of electromagnetic field simulations and the support of state-dependent algorithm-swapping and behavioral changes as a particle’s state evolves. Thanks to the very general approach taken by Kassiopeia it can be used by other experiments facing similar challenges when calculating particle trajectories in electromagnetic fields. It is publicly available at https://github.com/KATRIN-Experiment/Kassiopeia.

From innervation density to tactile acuity: 1. Spatial representation.

PubMed

Brown, Paul B; Koerber, H Richard; Millecchia, Ronald

2004-06-11

We tested the hypothesis that the population receptive field representation (a superposition of the excitatory receptive field areas of cells responding to a tactile stimulus) provides spatial information sufficient to mediate one measure of static tactile acuity. In psychophysical tests, two-point discrimination thresholds on the hindlimbs of adult cats varied as a function of stimulus location and orientation, as they do in humans. A statistical model of the excitatory low threshold mechanoreceptive fields of spinocervical, postsynaptic dorsal column and spinothalamic tract neurons was used to simulate the population receptive field representations in this neural population of the one- and two-point stimuli used in the psychophysical experiments. The simulated and observed thresholds were highly correlated. Simulated and observed thresholds' relations to physiological and anatomical variables such as stimulus location and orientation, receptive field size and shape, map scale, and innervation density were strikingly similar. Simulated and observed threshold variations with receptive field size and map scale obeyed simple relationships predicted by the signal detection model, and were statistically indistinguishable from each other. The population receptive field representation therefore contains information sufficient for this discrimination.

A molecular dynamics simulation study of chloroform

NASA Astrophysics Data System (ADS)

Tironi, Ilario G.; van Gunsteren, Wilfred F.

Three different chloroform models have been investigated using molecular dynamics computer simulation. The thermodynamic, structural and dynamic properties of the various models were investigated in detail. In particular, the potential energies, diffusion coefficients and rotational correlation times obtained for each model are compared with experiment. It is found that the theory of rotational Brownian motion fails in describing the rotational diffusion of chloroform. The force field of Dietz and Heinzinger was found to give good overall agreement with experiment. An extended investigation of this chloroform model has been performed. Values are reported for the isothermal compressibility, the thermal expansion coefficient and the constant volume heat capacity. The values agree well with experiment. The static and frequency dependent dielectric permittivity were computed from a 1·2 ns simulation conducted under reaction field boundary conditions. Considering the fact that the model is rigid with fixed partial charges, the static dielectric constant and Debye relaxation time compare well with experiment. From the same simulation the shear viscosity was computed using the off-diagonal elements of the pressure tensor, both via an Einstein type relation and via a Green-Kubo equation. The calculated viscosities show good agreement with experimental values. The excess Helmholtz energy is calculated using the thermodynamic integration technique and simulations of 50 and 80 ps. The value obtained for the excess Helmholtz energy matches the theoretical value within a few per cent.

Space-based Doppler lidar sampling strategies: Algorithm development and simulated observation experiments

NASA Technical Reports Server (NTRS)

Emmitt, G. D.; Wood, S. A.; Morris, M.

1990-01-01

Lidar Atmospheric Wind Sounder (LAWS) Simulation Models (LSM) were developed to evaluate the potential impact of global wind observations on the basic understanding of the Earth's atmosphere and on the predictive skills of current forecast models (GCM and regional scale). Fully integrated top to bottom LAWS Simulation Models for global and regional scale simulations were developed. The algorithm development incorporated the effects of aerosols, water vapor, clouds, terrain, and atmospheric turbulence into the models. Other additions include a new satellite orbiter, signal processor, line of sight uncertainty model, new Multi-Paired Algorithm and wind error analysis code. An atmospheric wind field library containing control fields, meteorological fields, phenomena fields, and new European Center for Medium Range Weather Forecasting (ECMWF) data was also added. The LSM was used to address some key LAWS issues and trades such as accuracy and interpretation of LAWS information, data density, signal strength, cloud obscuration, and temporal data resolution.

Molecular dynamics simulations of a DMSO/water mixture using the AMBER force field.

PubMed

Stachura, Slawomir S; Malajczuk, Chris J; Mancera, Ricardo L

2018-06-25

Due to its protective properties of biological samples at low temperatures and under desiccation, dimethyl sulfoxide (DMSO) in aqueous solutions has been studied widely by many experimental approaches and molecular dynamics (MD) simulations. In the case of the latter, AMBER is among the most commonly used force fields for simulations of biomolecular systems; however, the parameters for DMSO published by Fox and Kollman in 1998 have only been tested for pure liquid DMSO. We have conducted an MD simulation study of DMSO in a water mixture and computed several structural and dynamical properties such as of the mean density, self-diffusion coefficient, hydrogen bonding and DMSO and water ordering. The AMBER force field of DMSO is seen to reproduce well most of the experimental properties of DMSO in water, with the mixture displaying strong and specific water ordering, as observed in experiments and multiple other MD simulations with other non-polarizable force fields. Graphical abstract Hydration structure within hydrogen-bonding distance around a DMSOmolecule.

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...

Gas-Grain Simulation Facility: Fundamental studies of particle formation and interactions. Volume 2: Abstracts, candidate experiments and feasibility study

NASA Technical Reports Server (NTRS)

Fogleman, Guy (Editor); Huntington, Judith L. (Editor); Schwartz, Deborah E. (Editor); Fonda, Mark L. (Editor)

1989-01-01

An overview of the Gas-Grain Simulation Facility (GGSF) project and its current status is provided. The proceedings of the Gas-Grain Simulation Facility Experiments Workshop are recorded. The goal of the workshop was to define experiments for the GGSF--a small particle microgravity research facility. The workshop addressed the opportunity for performing, in Earth orbit, a wide variety of experiments that involve single small particles (grains) or clouds of particles. Twenty experiments from the fields of exobiology, planetary science, astrophysics, atmospheric science, biology, physics, and chemistry were described at the workshop and are outlined in Volume 2. Each experiment description included specific scientific objectives, an outline of the experimental procedure, and the anticipated GGSF performance requirements. Since these experiments represent the types of studies that will ultimately be proposed for the facility, they will be used to define the general science requirements of the GGSF. Also included in the second volume is a physics feasibility study and abstracts of example Gas-Grain Simulation Facility experiments and related experiments in progress.

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

Sanjeewa, Hakmana; He Xiaochun; Cleven, Christopher

The Muon charge ratio at the Earth's surface has been studied with a Geant4 based simulation for two different geomagnetic locations: Atlanta and Lynn Lake. The simulation results are shown in excellent agreement with the data from NMSU-WIZARD/CAPRICE and BESS experiments at Lynn Lake, At low momentum, ground level muon charge ratios show latitude dependent geomagnetic effects for both Atlanta and Lynn Lake from the simulation. The simulated charge ratio is 1.20 {+-} 0.05 (without geomagnetic field), 1.12 {+-} 0.05 (with geomagnetic field) for Atlanta and 1.22 {+-} 0.04 (with geomagnetic field) for Lynn Lake. These types of studies aremore » very important for analyzing secondary cosmic ray muon flux distribution at Earth's surface and can be used to evaluate the parameter of atmospheric neutrino oscillations.« less

Quantitative comparison of simulated and measured signals in the STEM mode of a SEM

NASA Astrophysics Data System (ADS)

Walker, C. G. H.; Konvalina, I.; Mika, F.; Frank, L.; Müllerová, I.

2018-01-01

The transmission of electrons with energies 15 keV and 30 keV through Si and Au films of 100 nm thickness each have been studied in a Scanning Transmission Electron Microscope. The electrons that were transmitted through the films were detected using a multi-annular photo-detector consisting of a central Bright Field (BF) and several Dark Field (DF) detectors. For the experiment the detector was gradually offset from the axis and the signal from the central BF detector was studied as a function of the offset distance and compared with MC simulations. The experiment showed better agreement between experiment and several different MC simulations as compared to previous results, but differences were still found particularly for low angle scattering from Si. Data from Au suggest that high energy secondary electrons contribute to the signal on the central BF detector for low primary beam energies, when the STEM detector is in its usual central position.

Revisiting imidazolium based ionic liquids: Effect of the conformation bias of the [NTf2] anion studied by molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Neumann, Jan; Golub, Benjamin; Odebrecht, Lisa-Marie; Ludwig, Ralf; Paschek, Dietmar

2018-05-01

We study ionic liquids composed of 1-alkyl-3-methylimidazolium cations and bis(trifluoromethyl-sulfonyl)imide anions ([CnMIm][NTf2]) with varying chain-length n = 2, 4, 6, 8 by using molecular dynamics simulations. We show that a reparametrization of the dihedral potentials as well as charges of the [NTf2] anion leads to an improvement of the force field model introduced by Köddermann, Paschek, and Ludwig [ChemPhysChem 8, 2464 (2007)] (KPL-force field). A crucial advantage of the new parameter set is that the minimum energy conformations of the anion (trans and gauche), as deduced from ab initio calculations and Raman experiments, are now both well represented by our model. In addition, the results for [CnMIm][NTf2] show that this modification leads to an even better agreement between experiment and molecular dynamics simulation as demonstrated for densities, diffusion coefficients, vaporization enthalpies, reorientational correlation times, and viscosities. Even though we focused on a better representation of the anion conformation, also the alkyl chain-length dependence of the cation behaves closer to the experiment. We strongly encourage to use the new NGOLP (Neumann, Golub, Odebrecht, Ludwig, Paschek) force field for the [NTf2] anion instead of the earlier KPL parameter set for computer simulations aiming to describe the thermodynamics, dynamics, and also structure of imidazolium-based ionic liquids.

THE IMPORTANCE OF WIDE-FIELD FOREGROUND REMOVAL FOR 21 cm COSMOLOGY: A DEMONSTRATION WITH EARLY MWA EPOCH OF REIONIZATION OBSERVATIONS

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

Pober, J. C.; Hazelton, B. J.; Beardsley, A. P.

2016-03-01

In this paper we present observations, simulations, and analysis demonstrating the direct connection between the location of foreground emission on the sky and its location in cosmological power spectra from interferometric redshifted 21 cm experiments. We begin with a heuristic formalism for understanding the mapping of sky coordinates into the cylindrically averaged power spectra measurements used by 21 cm experiments, with a focus on the effects of the instrument beam response and the associated sidelobes. We then demonstrate this mapping by analyzing power spectra with both simulated and observed data from the Murchison Widefield Array. We find that removing amore » foreground model that includes sources in both the main field of view and the first sidelobes reduces the contamination in high k{sub ∥} modes by several per cent relative to a model that only includes sources in the main field of view, with the completeness of the foreground model setting the principal limitation on the amount of power removed. While small, a percent-level amount of foreground power is in itself more than enough to prevent recovery of any Epoch of Reionization signal from these modes. This result demonstrates that foreground subtraction for redshifted 21 cm experiments is truly a wide-field problem, and algorithms and simulations must extend beyond the instrument’s main field of view to potentially recover the full 21 cm power spectrum.« less

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.

RELATIVISTIC ELECTRONS PRODUCED BY RECONNECTING ELECTRIC FIELDS IN A LASER-DRIVEN BENCH-TOP SOLAR FLARE

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

Zhong, J. Y.; Zhang, K.; Yuan, D. W.

2016-08-01

Laboratory experiments have been carried out to model the magnetic reconnection process in a solar flare with powerful lasers. Relativistic electrons with energy up to megaelectronvolts are detected along the magnetic separatrices bounding the reconnection outflow, which exhibit a kappa-like distribution with an effective temperature of ∼10{sup 9} K. The acceleration of non-thermal electrons is found to be more efficient in the case with a guide magnetic field (a component of a magnetic field along the reconnection-induced electric field) than in the case without a guide field. Hardening of the spectrum at energies ≥500 keV is observed in both cases, which remarkably resembles themore » hardening of hard X-ray and γ -ray spectra observed in many solar flares. This supports a recent proposal that the hardening in the hard X-ray and γ -ray emissions of solar flares is due to a hardening of the source-electron spectrum. We also performed numerical simulations that help examine behaviors of electrons in the reconnection process with the electromagnetic field configurations occurring in the experiments. The trajectories of non-thermal electrons observed in the experiments were well duplicated in the simulations. Our numerical simulations generally reproduce the electron energy spectrum as well, except for the hardening of the electron spectrum. This suggests that other mechanisms such as shock or turbulence may play an important role in the production of the observed energetic electrons.« less

Particle in cell simulation of instabilities in space and astrophysical plasmas

NASA Astrophysics Data System (ADS)

Tonge, John William

Several plasma instabilities relevant to space physics are investigated using the parallel PIC plasma simulation code P3arsec. This thesis addresses electrostatic micro-instabilities relevant to ion ring distributions, proceeds to electromagnetic micro-instabilities pertinent to streaming plasmas, and then to the stability of a plasma held in the field of a current rod. The physical relevance of each of these instabilities is discussed, a phenomenological description is given, and analytic and simulation results are presented and compared. Instability of a magnetized plasma with a portion of the ions in a velocity ring distribution around the magnetic field is investigated using simulation and analytic theory. The physics of this distribution is relevant to solar flares, x-ray emission by comets, and pulsars. Physical parameters, including the mass ratio, are near those of a solar flare in the simulation. The simulation and analytic results show agreement in the linear regime. In the nonlinear stage the simulation shows highly accelerated electrons in agreement with the observed spectrum of x-rays emitted by solar flares. A mildly relativistic streaming electron positron plasma with no ambient magnetic field is known to be unstable to electrostatic (two-stream/beam instability) and purely electromagnetic (Weibel) modes. This instability is relevant to highly energetic interstellar phenomena, including pulsars, supernova remnants, and the early universe. It is also important for experiments in which relativistic beams penetrate a background plasma, as in fast ignitor scenarios. Cold analytic theory is presented and compared to simulations. There is good agreement in the regime where cold theory applies. The simulation and theory shows that to properly characterize the instability, directions parallel and perpendicular to propagation of the beams must be considered. A residual magnetic field is observed which may be of astro-physical significance. The stability of a plasma in the magnetic field of a current rod is investigated for various temperature and density profiles. Such a plasma obeys similar physics to a plasma in a dipole magnetic field, while the current rod is much easier to analyze theoretically and realize in simulations. The stability properties of a plasma confined in a dipole field are important for understanding a variety of space phenomena and the Levitated Dipole eXperiment (LDX). 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 ∝ r-10/3. The simulations also show that the density profile will be stationary as long as density ∝ r -2 even though the temperature profile may not be stable.

Reparametrization of Protein Force Field Nonbonded Interactions Guided by Osmotic Coefficient Measurements from Molecular Dynamics Simulations.

PubMed

Miller, Mark S; Lay, Wesley K; Li, Shuxiang; Hacker, William C; An, Jiadi; Ren, Jianlan; Elcock, Adrian H

2017-04-11

There is a small, but growing, body of literature describing the use of osmotic coefficient measurements to validate and reparametrize simulation force fields. Here we have investigated the ability of five very commonly used force field and water model combinations to reproduce the osmotic coefficients of seven neutral amino acids and five small molecules. The force fields tested include AMBER ff99SB-ILDN, CHARMM36, GROMOS54a7, and OPLS-AA, with the first of these tested in conjunction with the TIP3P and TIP4P-Ew water models. In general, for both the amino acids and the small molecules, the tested force fields produce computed osmotic coefficients that are lower than experiment; this is indicative of excessively favorable solute-solute interactions. The sole exception to this general trend is provided by GROMOS54a7 when applied to amino acids: in this case, the computed osmotic coefficients are consistently too high. Importantly, we show that all of the force fields tested can be made to accurately reproduce the experimental osmotic coefficients of the amino acids when minor modifications-some previously reported by others and some that are new to this study-are made to the van der Waals interactions of the charged terminal groups. Special care is required, however, when simulating Proline with a number of the force fields, and a hydroxyl-group specific modification is required in order to correct Serine and Threonine when simulated with AMBER ff99SB-ILDN. Interestingly, an alternative parametrization of the van der Waals interactions in the latter force field, proposed by the Nerenberg and Head-Gordon groups, is shown to immediately produce osmotic coefficients that are in excellent agreement with experiment. Overall, this study reinforces the idea that osmotic coefficient measurements can be used to identify general shortcomings in commonly used force fields' descriptions of solute-solute interactions and further demonstrates that modifications to van der Waals parameters provide a simple route to optimizing agreement with experiment.

Dynamic domains of the Derviche Tourneur sodium experiment: Simulations of a spherical magnetized Couette flow

NASA Astrophysics Data System (ADS)

Kaplan, E. J.; Nataf, H.-C.; Schaeffer, N.

2018-03-01

The Derviche Tourneur sodium experiment, a spherical Couette magnetohydrodynamics experiment with liquid sodium as the medium and a dipole magnetic field imposed from the inner sphere, recently underwent upgrades to its diagnostics to better characterize the flow and induced magnetic fields with global rotation. In tandem with the upgrades, a set of direct numerical simulations were run to give a more complete view of the fluid and magnetic dynamics at various rotation rates of the inner and outer spheres. These simulations reveal several dynamic regimes, determined by the Rossby number. At positive differential rotation there is a regime of quasigeostrophic flow, with low levels of fluctuations near the outer sphere. Negative differential rotation shows a regime of what appear to be saturated hydrodynamic instabilities at low negative differential rotation, followed by a regime where filamentary structures develop at low latitudes and persist over five to ten differential rotation periods as they drift poleward. We emphasize that all these coherent structures emerge from turbulent flows. At least some of them seem to be related to linear instabilities of the mean flow. The simulated flows can produce the same measurements as those that the physical experiment can take, with signatures akin to those found in the experiment. This paper discusses the relation between the internal velocity structures of the flow and their magnetic signatures at the surface.

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.

An Assessment of Molecular Dynamic Force Fields for Silica for Use in Simulating Laser Damage Mitigation

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

Soules, T F; Gilmer, G H; Matthews, M J

2010-10-21

We compare force fields (FF's) that have been used in molecular dynamic (MD) simulations of silica in order to assess their applicability for use in simulating IR-laser damage mitigation. Although pairwise FF?s obtained by fitting quantum mechanical calculations such as the BKS and CHIK potentials have been shown to reproduce many of the properties of silica including the stability of silica polymorphs and the densification of the liquid, we show that melting temperatures and fictive temperatures are much too high. Softer empirical force fields give liquid and glass properties at experimental temperatures but may not predict all properties important tomore » laser mitigation experiments.« less

Water quality of flow through cured-in-place pipe (CIPP).

DOT National Transportation Integrated Search

2017-02-01

Though this study did not include replication, the preponderance of the data from field and simulated-field experiments indicates that Curedin- : Place Pipe (CIPP), with some care in enforcing the Caltrans specification and delaying the reintroductio...

TETAM Model Verification Study. Volume I. Representation of Intervisibility, Initial Comparisons

DTIC Science & Technology

1976-02-01

simulation models in terms of firings, engagements, and losses between tank and antitank as compared with the field data collected during the free play battles of Field Experiment 11.8 are found in Volume III. (Author)

Mine Blast Loading: Experiments and Simulations

DTIC Science & Technology

2010-04-01

plates by approximately 50%. We investigated the root cause for this discrepancy. The simulations calculate a turbulent-like flow field characterized...Toussaint [19] evaluated two numerical methods, Smooth Particle Hydrodynamics ( SPH ) and Arbitrary Lagrangian Eulerian (ALE), to simulate a mine blast on...That is, the mine blast products were not flowing along the solid plate boundary in the simulations as freely as they should. 6 In particular, the V

Evaluation of a micro-scale wind model's performance over realistic building clusters using wind tunnel experiments

NASA Astrophysics Data System (ADS)

Zhang, Ning; Du, Yunsong; Miao, Shiguang; Fang, Xiaoyi

2016-08-01

The simulation performance over complex building clusters of a wind simulation model (Wind Information Field Fast Analysis model, WIFFA) in a micro-scale air pollutant dispersion model system (Urban Microscale Air Pollution dispersion Simulation model, UMAPS) is evaluated using various wind tunnel experimental data including the CEDVAL (Compilation of Experimental Data for Validation of Micro-Scale Dispersion Models) wind tunnel experiment data and the NJU-FZ experiment data (Nanjing University-Fang Zhuang neighborhood wind tunnel experiment data). The results show that the wind model can reproduce the vortexes triggered by urban buildings well, and the flow patterns in urban street canyons and building clusters can also be represented. Due to the complex shapes of buildings and their distributions, the simulation deviations/discrepancies from the measurements are usually caused by the simplification of the building shapes and the determination of the key zone sizes. The computational efficiencies of different cases are also discussed in this paper. The model has a high computational efficiency compared to traditional numerical models that solve the Navier-Stokes equations, and can produce very high-resolution (1-5 m) wind fields of a complex neighborhood scale urban building canopy (~ 1 km ×1 km) in less than 3 min when run on a personal computer.

Crop Model Improvement Reduces the Uncertainty of the Response to Temperature of Multi-Model Ensembles

NASA Technical Reports Server (NTRS)

Maiorano, Andrea; Martre, Pierre; Asseng, Senthold; Ewert, Frank; Mueller, Christoph; Roetter, Reimund P.; Ruane, Alex C.; Semenov, Mikhail A.; Wallach, Daniel; Wang, Enli

2016-01-01

To improve climate change impact estimates and to quantify their uncertainty, multi-model ensembles (MMEs) have been suggested. Model improvements can improve the accuracy of simulations and reduce the uncertainty of climate change impact assessments. Furthermore, they can reduce the number of models needed in a MME. Herein, 15 wheat growth models of a larger MME were improved through re-parameterization and/or incorporating or modifying heat stress effects on phenology, leaf growth and senescence, biomass growth, and grain number and size using detailed field experimental data from the USDA Hot Serial Cereal experiment (calibration data set). Simulation results from before and after model improvement were then evaluated with independent field experiments from a CIMMYT worldwide field trial network (evaluation data set). Model improvements decreased the variation (10th to 90th model ensemble percentile range) of grain yields simulated by the MME on average by 39% in the calibration data set and by 26% in the independent evaluation data set for crops grown in mean seasonal temperatures greater than 24 C. MME mean squared error in simulating grain yield decreased by 37%. A reduction in MME uncertainty range by 27% increased MME prediction skills by 47%. Results suggest that the mean level of variation observed in field experiments and used as a benchmark can be reached with half the number of models in the MME. Improving crop models is therefore important to increase the certainty of model-based impact assessments and allow more practical, i.e. smaller MMEs to be used effectively.

Nonthermal ablation of deep brain targets: A simulation study on a large animal model

PubMed Central

Top, Can Barış; White, P. Jason; McDannold, Nathan J.

2016-01-01

Purpose: Thermal ablation with transcranial MRI-guided focused ultrasound (FUS) is currently limited to central brain targets because of heating and other beam effects caused by the presence of the skull. Recently, it was shown that it is possible to ablate tissues without depositing thermal energy by driving intravenously administered microbubbles to inertial cavitation using low-duty-cycle burst sonications. A recent study demonstrated that this ablation method could ablate tissue volumes near the skull base in nonhuman primates without thermally damaging the nearby bone. However, blood–brain disruption was observed in the prefocal region, and in some cases, this region contained small areas of tissue damage. The objective of this study was to analyze the experimental model with simulations and to interpret the cause of these effects. Methods: The authors simulated prior experiments where nonthermal ablation was performed in the brain in anesthetized rhesus macaques using a 220 kHz clinical prototype transcranial MRI-guided FUS system. Low-duty-cycle sonications were applied at deep brain targets with the ultrasound contrast agent Definity. For simulations, a 3D pseudospectral finite difference time domain tool was used. The effects of shear mode conversion, focal steering, skull aberrations, nonlinear propagation, and the presence of skull base on the pressure field were investigated using acoustic and elastic wave propagation models. Results: The simulation results were in agreement with the experimental findings in the prefocal region. In the postfocal region, however, side lobes were predicted by the simulations, but no effects were evident in the experiments. The main beam was not affected by the different simulated scenarios except for a shift of about 1 mm in peak position due to skull aberrations. However, the authors observed differences in the volume, amplitude, and distribution of the side lobes. In the experiments, a single element passive cavitation detector was used to measure the inertial cavitation threshold and to determine the pressure amplitude to use for ablation. Simulations of the detector’s acoustic field suggest that its maximum sensitivity was in the lower part of the main beam, which may have led to excessive exposure levels in the experiments that may have contributed to damage in the prefocal area. Conclusions: Overall, these results suggest that case-specific full wave simulations before the procedure can be useful to predict the focal and the prefocal side lobes and the extent of the resulting bioeffects produced by nonthermal ablation. Such simulations can also be used to optimally position passive cavitation detectors. The disagreement between the simulations and the experiments in the postfocal region may have been due to shielding of the ultrasound field due to microbubble activity in the focal region. Future efforts should include the effects of microbubble activity and vascularization on the pressure field. PMID:26843248

Perceptions of simulation-assisted teaching among baccalaureate nursing students in Chinese context: Benefits, process and barriers.

PubMed

Zhang, Jun

To explore the subjective learning experiences of baccalaureate nursing students participating in simulation sessions in a Chinese nursing school. This was a qualitative descriptive study. We used semi-structured interviews to explore students' perception about simulation-assisted learning. Each interview was audio-taped and transcribed verbatim. Thematic analysis was used to identify the major themes or categories from the transcript and the field notes. Only 10 students were needed to achieve theoretical saturation, due to high group homogeneity. Three main themes which were found from the study included 1. Students' positive views of the new educational experience of simulation; 2. Factors currently making simulation less attractive to students; and 3. The teacher's role in insuring a positive learning experience. Simulation-assisted teaching has been a positive experience for majority nursing students. Further efforts are needed in developing quality simulation-based course curriculum as well as planning and structuring its teaching process. The pedagogy approach requires close collaboration between faculty and students. Copyright © 2016 Elsevier Inc. All rights reserved.

The MARS2013 Mars analog mission.

PubMed

Groemer, Gernot; Soucek, Alexander; Frischauf, Norbert; Stumptner, Willibald; Ragonig, Christoph; Sams, Sebastian; Bartenstein, Thomas; Häuplik-Meusburger, Sandra; Petrova, Polina; Evetts, Simon; Sivenesan, Chan; Bothe, Claudia; Boyd, Andrea; Dinkelaker, Aline; Dissertori, Markus; Fasching, David; Fischer, Monika; Föger, Daniel; Foresta, Luca; Fritsch, Lukas; Fuchs, Harald; Gautsch, Christoph; Gerard, Stephan; Goetzloff, Linda; Gołebiowska, Izabella; Gorur, Paavan; Groemer, Gerhard; Groll, Petra; Haider, Christian; Haider, Olivia; Hauth, Eva; Hauth, Stefan; Hettrich, Sebastian; Jais, Wolfgang; Jones, Natalie; Taj-Eddine, Kamal; Karl, Alexander; Kauerhoff, Tilo; Khan, Muhammad Shadab; Kjeldsen, Andreas; Klauck, Jan; Losiak, Anna; Luger, Markus; Luger, Thomas; Luger, Ulrich; McArthur, Jane; Moser, Linda; Neuner, Julia; Orgel, Csilla; Ori, Gian Gabriele; Paternesi, Roberta; Peschier, Jarno; Pfeil, Isabella; Prock, Silvia; Radinger, Josef; Ramirez, Barbara; Ramo, Wissam; Rampey, Mike; Sams, Arnold; Sams, Elisabeth; Sandu, Oana; Sans, Alejandra; Sansone, Petra; Scheer, Daniela; Schildhammer, Daniel; Scornet, Quentin; Sejkora, Nina; Stadler, Andrea; Stummer, Florian; Taraba, Michael; Tlustos, Reinhard; Toferer, Ernst; Turetschek, Thomas; Winter, Egon; Zanella-Kux, Katja

2014-05-01

We report on the MARS2013 mission, a 4-week Mars analog field test in the northern Sahara. Nineteen experiments were conducted by a field crew in Morocco under simulated martian surface exploration conditions, supervised by a Mission Support Center in Innsbruck, Austria. A Remote Science Support team analyzed field data in near real time, providing planning input for the management of a complex system of field assets; two advanced space suit simulators, four robotic vehicles, an emergency shelter, and a stationary sensor platform in a realistic work flow were coordinated by a Flight Control Team. A dedicated flight planning group, external control centers for rover tele-operations, and a biomedical monitoring team supported the field operations. A 10 min satellite communication delay and other limitations pertinent to human planetary surface activities were introduced. The fields of research for the experiments were geology, human factors, astrobiology, robotics, tele-science, exploration, and operations research. This paper provides an overview of the geological context and environmental conditions of the test site and the mission architecture, in particular the communication infrastructure emulating the signal travel time between Earth and Mars. We report on the operational work flows and the experiments conducted, including a deployable shelter prototype for multiple-day extravehicular activities and contingency situations.

Host Model Uncertainty in Aerosol Radiative Forcing Estimates - The AeroCom Prescribed Experiment

NASA Astrophysics Data System (ADS)

Stier, P.; Kinne, S.; Bellouin, N.; Myhre, G.; Takemura, T.; Yu, H.; Randles, C.; Chung, C. E.

2012-04-01

Anthropogenic and natural aerosol radiative effects are recognized to affect global and regional climate. However, even for the case of identical aerosol emissions, the simulated direct aerosol radiative forcings show significant diversity among the AeroCom models (Schulz et al., 2006). Our analysis of aerosol absorption in the AeroCom models indicates a larger diversity in the translation from given aerosol radiative properties (absorption optical depth) to actual atmospheric absorption than in the translation of a given atmospheric burden of black carbon to the radiative properties (absorption optical depth). The large diversity is caused by differences in the simulated cloud fields, radiative transfer, the relative vertical distribution of aerosols and clouds, and the effective surface albedo. This indicates that differences in host model (GCM or CTM hosting the aerosol module) parameterizations contribute significantly to the simulated diversity of aerosol radiative forcing. The magnitude of these host model effects in global aerosol model and satellites retrieved aerosol radiative forcing estimates cannot be estimated from the diagnostics of the "standard" AeroCom forcing experiments. To quantify the contribution of differences in the host models to the simulated aerosol radiative forcing and absorption we conduct the AeroCom Prescribed experiment, a simple aerosol model and satellite retrieval intercomparison with prescribed highly idealised aerosol fields. Quality checks, such as diagnostic output of the 3D aerosol fields as implemented in each model, ensure the comparability of the aerosol implementation in the participating models. The simulated forcing variability among the models and retrievals is a direct measure of the contribution of host model assumptions to the uncertainty in the assessment of the aerosol radiative effects. We will present the results from the AeroCom prescribed experiment with focus on the attribution to the simulated variability to parametric and structural model uncertainties. This work will help to prioritise areas for future model improvements and ultimately lead to uncertainty reduction.

Influence and Correction from the Human Body on the Measurement of a Power-Frequency Electric Field Sensor

PubMed Central

Xiao, Dongping; Liu, Huaitong; Zhou, Qiang; Xie, Yutong; Ma, Qichao

2016-01-01

According to the operating specifications of existing electric field measuring instruments, measuring technicians must be located far from the instruments to eliminate the influence of the human body occupancy on a spatial electric field. Nevertheless, in order to develop a portable safety protection instrument with an effective electric field warning function for working staff in a high-voltage environment, it is necessary to study the influence of an approaching human body on the measurement of an electric field and to correct the measurement results. A single-shaft electric field measuring instrument called the Type LP-2000, which was developed by our research team, is used as the research object in this study. First, we explain the principle of electric field measurement and describe the capacitance effect produced by the human body. Through a theoretical analysis, we show that the measured electric field value decreases as a human body approaches. Their relationship is linearly proportional. Then, the ratio is identified as a correction coefficient to correct for the influence of human body proximity. The conclusion drawn from the theoretical analysis is proved via simulation. The correction coefficient kb = 1.8010 is obtained on the basis of the linear fitting of simulated data. Finally, a physical experiment is performed. When no human is present, we compare the results from the Type LP-2000 measured with Narda EFA-300 and the simulated value to verify the accuracy of the Type LP-2000. For the case of an approaching human body, the correction coefficient kb* = 1.9094 is obtained by comparing the data measured with the Type LP-2000 to the simulated value. The correction coefficient obtained from the experiment (i.e., kb*) is highly consistent with that obtained from the simulation (i.e., kb). Two experimental programs are set; under these programs, the excitation voltages and distance measuring points are regulated to produce different electric field intensities. Using kb = 1.9094, the corrected measurement of electric field intensity can accurately reflect the original environmental electric field intensity, and the maximal error is less than 6% in all the data comparisons. These results verify the effectiveness of our proposed method. PMID:27294936

Influence and Correction from the Human Body on the Measurement of a Power-Frequency Electric Field Sensor.

PubMed

Xiao, Dongping; Liu, Huaitong; Zhou, Qiang; Xie, Yutong; Ma, Qichao

2016-06-10

According to the operating specifications of existing electric field measuring instruments, measuring technicians must be located far from the instruments to eliminate the influence of the human body occupancy on a spatial electric field. Nevertheless, in order to develop a portable safety protection instrument with an effective electric field warning function for working staff in a high-voltage environment, it is necessary to study the influence of an approaching human body on the measurement of an electric field and to correct the measurement results. A single-shaft electric field measuring instrument called the Type LP-2000, which was developed by our research team, is used as the research object in this study. First, we explain the principle of electric field measurement and describe the capacitance effect produced by the human body. Through a theoretical analysis, we show that the measured electric field value decreases as a human body approaches. Their relationship is linearly proportional. Then, the ratio is identified as a correction coefficient to correct for the influence of human body proximity. The conclusion drawn from the theoretical analysis is proved via simulation. The correction coefficient kb = 1.8010 is obtained on the basis of the linear fitting of simulated data. Finally, a physical experiment is performed. When no human is present, we compare the results from the Type LP-2000 measured with Narda EFA-300 and the simulated value to verify the accuracy of the Type LP-2000. For the case of an approaching human body, the correction coefficient kb* = 1.9094 is obtained by comparing the data measured with the Type LP-2000 to the simulated value. The correction coefficient obtained from the experiment (i.e., kb*) is highly consistent with that obtained from the simulation (i.e., kb). Two experimental programs are set; under these programs, the excitation voltages and distance measuring points are regulated to produce different electric field intensities. Using kb = 1.9094, the corrected measurement of electric field intensity can accurately reflect the original environmental electric field intensity, and the maximal error is less than 6% in all the data comparisons. These results verify the effectiveness of our proposed method.

Coupling crystal plasticity and phase-field damage to simulate β-HMX-based polymer-bonded explosive under shock load

NASA Astrophysics Data System (ADS)

Grilli, Nicolo; Dandekar, Akshay; Koslowski, Marisol

2017-06-01

The development of high explosive materials requires constitutive models that are able to predict the influence of microstructure and loading conditions on shock sensitivity. In this work a model at the continuum-scale for the polymer-bonded explosive constituted of β-HMX particles embedded in a Sylgard matrix is developed. It includes a Murnaghan equation of state, a crystal plasticity model, based on power-law slip rate and hardening, and a phase field damage model based on crack regularization. The temperature increase due to chemical reactions is introduced by a heat source term, which is validated using results from reactive molecular dynamics simulations. An initial damage field representing pre-existing voids and cracks is used in the simulations to understand the effect of these inhomogeneities on the damage propagation and shock sensitivity. We show the predictions of the crystal plasticity model and the effect of the HMX crystal orientation on the shock initiation and on the dissipated plastic work and damage propagation. The simulation results are validated with ultra-fast dynamic transmission electron microscopy experiments and x-ray experiments carried out at Purdue University. Membership Pending.

Numerical simulation of laminar plasma dynamos in a cylindrical von Karman flow

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

Khalzov, I. V.; Brown, B. P.; Schnack, D. D.

2011-03-15

The results of a numerical study of the magnetic dynamo effect in cylindrical von Karman plasma flow are presented with parameters relevant to the Madison Plasma Couette Experiment. This experiment is designed to investigate a broad class of phenomena in flowing plasmas. In a plasma, the magnetic Prandtl number Pm can be of order unity (i.e., the fluid Reynolds number Re is comparable to the magnetic Reynolds number Rm). This is in contrast to liquid metal experiments, where Pm is small (so, Re>>Rm) and the flows are always turbulent. We explore dynamo action through simulations using the extended magnetohydrodynamic NIMRODmore » code for an isothermal and compressible plasma model. We also study two-fluid effects in simulations by including the Hall term in Ohm's law. We find that the counter-rotating von Karman flow results in sustained dynamo action and the self-generation of magnetic field when the magnetic Reynolds number exceeds a critical value. For the plasma parameters of the experiment, this field saturates at an amplitude corresponding to a new stable equilibrium (a laminar dynamo). We show that compressibility in the plasma results in an increase of the critical magnetic Reynolds number, while inclusion of the Hall term in Ohm's law changes the amplitude of the saturated dynamo field but not the critical value for the onset of dynamo action.« less

Modeling and simulation for the field emission of carbon nanotubes array

NASA Astrophysics Data System (ADS)

Wang, X. Q.; Wang, M.; Ge, H. L.; Chen, Q.; Xu, Y. B.

2005-12-01

To optimize the field emission of the infinite carbon nanotubes (CNTs) array on a planar cathode surface, the numerical simulation for the behavior of field emission with finite difference method was proposed. By solving the Laplace equation with computer, the influence of the intertube distance, the anode-cathode distance and the opened/capped CNT on the field emission of CNTs array were taken into account, and the results could accord well with the experiments. The simulated results proved that the field enhancement factor of individual CNT is largest, but the emission current density is little. Due to the enhanced screening of the electric field, the enhancement factor of CNTs array decreases with decreasing the intertube distance. From the simulation the field emission can be optimized when the intertube distance is close to the tube height. The anode-cathode distance hardly influences the field enhancement factor of CNTs array, but can low the threshold voltage by decreasing the anode-cathode distance. Finally, the distribution of potential of the capped CNTs array and the opened CNTs array was simulated, which the results showed that the distribution of potential can be influenced to some extent by the anode-cathode distance, especially at the apex of the capped CNTs array and the brim of the opened CNTs array. The opened CNTs array has larger field enhancement factor and can emit more current than the capped one.

Water quality of flow through cured-in-place pipe (CIPP) : final report.

DOT National Transportation Integrated Search

2017-02-01

Though this study did not include replication, the preponderance of the data from field and simulated-field experiments indicates that Curedin-Place : Pipe (CIPP), with some care in enforcing the Caltrans specification and delaying the reintroduction...

The BepiColombo MORE gravimetry and rotation experiments with the ORBIT14 software

NASA Astrophysics Data System (ADS)

Cicalò, S.; Schettino, G.; Di Ruzza, S.; Alessi, E. M.; Tommei, G.; Milani, A.

2016-04-01

The BepiColombo mission to Mercury is an ESA/JAXA cornerstone mission, consisting of two spacecraft in orbit around Mercury addressing several scientific issues. One spacecraft is the Mercury Planetary Orbiter, with full instrumentation to perform radio science experiments. Very precise radio tracking from Earth, on-board accelerometer and optical measurements will provide large data sets. From these it will be possible to study the global gravity field of Mercury and its tidal variations, its rotation state and the orbit of its centre of mass. With the gravity field and rotation state, it is possible to constrain the internal structure of the planet. With the orbit of Mercury, it is possible to constrain relativistic theories of gravitation. In order to assess that all the scientific goals are achievable with the required level of accuracy, full cycle numerical simulations of the radio science experiment have been performed. Simulated tracking, accelerometer and optical camera data have been generated, and a long list of variables including the spacecraft initial conditions, the accelerometer calibrations and the gravity field coefficients have been determined by a least-squares fit. The simulation results are encouraging: the experiments are feasible at the required level of accuracy provided that some critical terms in the accelerometer error are moderated. We will show that BepiColombo will be able to provide at least an order of magnitude improvement in the knowledge of Love number k2, libration amplitudes and obliquity, along with a gravity field determination up to degree 25 with a signal-to-noise ratio of 10.

Variables that influence energy partition in asymmetric reconnection

NASA Astrophysics Data System (ADS)

Wang, S.; Chen, L. J.; Bessho, N.; Hesse, M.; Yamada, M.; Yoo, J.

2017-12-01

The energy conversion in the diffusion region during asymmetric reconnection is studied using particle-in-cell (PIC) simulations and measurements from the Magnetospheric Multiscale (MMS) spacecraft. The simulation analysis shows that the energy partition is highly region-dependent and varies with the guide field strength. Without a guide field, within the central electron diffusion region, the input magnetic energy is mostly converted to the electron thermal energies; half of the magnetic energy input to the region extending from the X-line to a few ion inertial lengths downstream where the ion outflow peaks is converted to the plasma energy gain, with approximately equal partition between ions and electrons, similar to the laboratory results from the Magnetic Reconnection Experiment (MRX); over the entire ion diffusion region, about half of the energy goes to ions, and 20% goes to electrons. Electrons obtain energies mainly from the reconnection electric field (Er). For the ion total energy gain in the diffusion region, about 2/3 comes from the in-plane electrostatic field Ein and 1/3 comes from Er. Adding a guide field tends to reduce the plasma energy gain through reducing the contribution from Ein, even though the reconnection rates are similar. The energy partition in the diffusion region observed by MMS is estimated and compared with the results from PIC simulations and MRX experiments.

Multi-focused microlens array optimization and light field imaging study based on Monte Carlo method.

PubMed

Li, Tian-Jiao; Li, Sai; Yuan, Yuan; Liu, Yu-Dong; Xu, Chuan-Long; Shuai, Yong; Tan, He-Ping

2017-04-03

Plenoptic cameras are used for capturing flames in studies of high-temperature phenomena. However, simulations of plenoptic camera models can be used prior to the experiment improve experimental efficiency and reduce cost. In this work, microlens arrays, which are based on the established light field camera model, are optimized into a hexagonal structure with three types of microlenses. With this improved plenoptic camera model, light field imaging of static objects and flame are simulated using the calibrated parameters of the Raytrix camera (R29). The optimized models improve the image resolution, imaging screen utilization, and shooting range of depth of field.

Electric-Field Sensing with a Scanning Fiber-Coupled Quantum Dot

NASA Astrophysics Data System (ADS)

Cadeddu, D.; Munsch, M.; Rossi, N.; Gérard, J.-M.; Claudon, J.; Warburton, R. J.; Poggio, M.

2017-09-01

We demonstrate the application of a fiber-coupled quantum dot (QD) in a tip as a scanning probe for electric-field imaging. We map the out-of-plane component of the electric field induced by a pair of electrodes by the measurement of the quantum-confined Stark effect induced on a QD spectral line. Our results are in agreement with finite-element simulations of the experiment. Furthermore, we present results from analytic calculations and simulations which are relevant to any electric-field sensor embedded in a dielectric tip. In particular, we highlight the impact of the tip geometry on both the resolution and sensitivity.

Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

NASA Astrophysics Data System (ADS)

Martinek, Tomas; Duboué-Dijon, Elise; Timr, Štěpán; Mason, Philip E.; Baxová, Katarina; Fischer, Henry E.; Schmidt, Burkhard; Pluhařová, Eva; Jungwirth, Pavel

2018-06-01

We present a combination of force field and ab initio molecular dynamics simulations together with neutron scattering experiments with isotopic substitution that aim at characterizing ion hydration and pairing in aqueous calcium chloride and formate/acetate solutions. Benchmarking against neutron scattering data on concentrated solutions together with ion pairing free energy profiles from ab initio molecular dynamics allows us to develop an accurate calcium force field which accounts in a mean-field way for electronic polarization effects via charge rescaling. This refined calcium parameterization is directly usable for standard molecular dynamics simulations of processes involving this key biological signaling ion.

Reparameterization of Protein Force Field Nonbonded Interactions Guided by Osmotic Coefficient Measurements from Molecular Dynamics Simulations

PubMed Central

Miller, Mark S.; Lay, Wesley K.; Li, Shuxiang; Hacker, William C.; An, Jiadi; Ren, Jianlan; Elcock, Adrian H.

2017-01-01

There is a small, but growing, body of literature describing the use of osmotic coefficient measurements to validate and reparameterize simulation force fields. Here we have investigated the ability of five very commonly used force field and water model combinations to reproduce the osmotic coefficients of seven neutral amino acids and five small molecules. The force fields tested include AMBER ff99SB-ILDN, CHARMM36, GROMOS54a7, and OPLS-AA, with the first of these tested in conjunction with the TIP3P and TIP4P-Ew water models. In general, for both the amino acids and the small molecules, the tested force fields produce computed osmotic coefficients that are lower than experiment; this is indicative of excessively favorable solute-solute interactions. The sole exception to this general trend is provided by GROMOS54a7 when applied to amino acids: in this case, the computed osmotic coefficients are consistently too high. Importantly, we show that all of the force fields tested can be made to accurately reproduce the experimental osmotic coefficients of the amino acids when minor modifications – some previously reported by others and some that are new to this study – are made to the van der Waals interactions of the charged terminal groups. Special care is required, however, when simulating Proline with a number of the force fields, and a hydroxyl-group specific modification is required in order to correct Serine and Threonine when simulated with AMBER ff99SB-ILDN. Interestingly, an alternative parameterization of the van der Waals interactions in the latter force field, proposed by the Nerenberg and Head-Gordon groups, is shown to immediately produce osmotic coefficients that are in excellent agreement with experiment. Overall, this study reinforces the idea that osmotic coefficient measurements can be used to identify general shortcomings in commonly used force fields’ descriptions of solute-solute interactions, and further demonstrates that modifications to van der Waals parameters provides a simple route to optimizing agreement with experiment. PMID:28296391

Producing ‘superponderomotive’ electrons in ashort cavitated channel

NASA Astrophysics Data System (ADS)

Wang, J.; Yang, Y.; Zhao, Z. Q.; Wu, Y. C.; Dong, K. G.; Zhang, T. K.; Gu, Y. Q.

2017-11-01

Particle-in-cell simulations suggest that a short cavitated channel in relativistic near-critical density plasma can be readily created by relativistic self-transparency and hole-boring effect. The strong self-generated magnetic fields confine the electrons in the plasma channel. Assisted by the magnetic fields, the electrons resonance with the laser fields at betatron resonance frequency {ω }β . Consequently, highly energetic electrons with small divergence can be created by the betatron resonance regime. However, preliminary experiment results show higher temperature and larger divergence, compared to our simulation results. We argue that this difference would come from imperfect homogenization of foam target. Thus, the classical betatron resonance heating regime in a large scale of pre-plasma, which is proposed by Pukhov et al (1996 Phys. Rev. Lett. 76, 3975-8), would explain the experiment results instead.

Combining experimental and simulation data of molecular processes via augmented Markov models.

PubMed

Olsson, Simon; Wu, Hao; Paul, Fabian; Clementi, Cecilia; Noé, Frank

2017-08-01

Accurate mechanistic description of structural changes in biomolecules is an increasingly important topic in structural and chemical biology. Markov models have emerged as a powerful way to approximate the molecular kinetics of large biomolecules while keeping full structural resolution in a divide-and-conquer fashion. However, the accuracy of these models is limited by that of the force fields used to generate the underlying molecular dynamics (MD) simulation data. Whereas the quality of classical MD force fields has improved significantly in recent years, remaining errors in the Boltzmann weights are still on the order of a few [Formula: see text], which may lead to significant discrepancies when comparing to experimentally measured rates or state populations. Here we take the view that simulations using a sufficiently good force-field sample conformations that are valid but have inaccurate weights, yet these weights may be made accurate by incorporating experimental data a posteriori. To do so, we propose augmented Markov models (AMMs), an approach that combines concepts from probability theory and information theory to consistently treat systematic force-field error and statistical errors in simulation and experiment. Our results demonstrate that AMMs can reconcile conflicting results for protein mechanisms obtained by different force fields and correct for a wide range of stationary and dynamical observables even when only equilibrium measurements are incorporated into the estimation process. This approach constitutes a unique avenue to combine experiment and computation into integrative models of biomolecular structure and dynamics.

Fluid mechanics aspects of magnetic drug targeting.

PubMed

Odenbach, Stefan

2015-10-01

Experiments and numerical simulations using a flow phantom for magnetic drug targeting have been undertaken. The flow phantom is a half y-branched tube configuration where the main tube represents an artery from which a tumour-supplying artery, which is simulated by the side branch of the flow phantom, branches off. In the experiments a quantification of the amount of magnetic particles targeted towards the branch by a magnetic field applied via a permanent magnet is achieved by impedance measurement using sensor coils. Measuring the targeting efficiency, i.e. the relative amount of particles targeted to the side branch, for different field configurations one obtains targeting maps which combine the targeting efficiency with the magnetic force densities in characteristic points in the flow phantom. It could be shown that targeting efficiency depends strongly on the magnetic field configuration. A corresponding numerical model has been set up, which allows the simulation of targeting efficiency for variable field configuration. With this simulation good agreement of targeting efficiency with experimental data has been found. Thus, the basis has been laid for future calculations of optimal field configurations in clinical applications of magnetic drug targeting. Moreover, the numerical model allows the variation of additional parameters of the drug targeting process and thus an estimation of the influence, e.g. of the fluid properties on the targeting efficiency. Corresponding calculations have shown that the non-Newtonian behaviour of the fluid will significantly influence the targeting process, an aspect which has to be taken into account, especially recalling the fact that the viscosity of magnetic suspensions depends strongly on the magnetic field strength and the mechanical load.

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.

Hydrodynamic optical-field-ionized plasma channels

NASA Astrophysics Data System (ADS)

Shalloo, R. J.; Arran, C.; Corner, L.; Holloway, J.; Jonnerby, J.; Walczak, R.; Milchberg, H. M.; Hooker, S. M.

2018-05-01

We present experiments and numerical simulations which demonstrate that fully ionized, low-density plasma channels could be formed by hydrodynamic expansion of plasma columns produced by optical field ionization. Simulations of the hydrodynamic expansion of plasma columns formed in hydrogen by an axicon lens show the generation of 200 mm long plasma channels with axial densities of order ne(0 ) =1 ×1017cm-3 and lowest-order modes of spot size WM≈40 μ m . These simulations show that the laser energy required to generate the channels is modest: of order 1 mJ per centimeter of channel. The simulations are confirmed by experiments with a spherical lens which show the formation of short plasma channels with 1.5 ×1017cm-3≲ne(0 ) ≲1 ×1018cm-3 and 61 μ m ≳WM≳33 μ m . Low-density plasma channels of this type would appear to be well suited as multi-GeV laser-plasma accelerator stages capable of long-term operation at high pulse repetition rates.

Comparing nonlinear MHD simulations of low-aspect-ratio RFPs to RELAX experiments

NASA Astrophysics Data System (ADS)

McCollam, K. J.; den Hartog, D. J.; Jacobson, C. M.; Sovinec, C. R.; Masamune, S.; Sanpei, A.

2016-10-01

Standard reversed-field pinch (RFP) plasmas provide a nonlinear dynamical system as a validation domain for numerical MHD simulation codes, with applications in general toroidal confinement scenarios including tokamaks. Using the NIMROD code, we simulate the nonlinear evolution of RFP plasmas similar to those in the RELAX experiment. The experiment's modest Lundquist numbers S (as low as a few times 104) make closely matching MHD simulations tractable given present computing resources. Its low aspect ratio ( 2) motivates a comparison study using cylindrical and toroidal geometries in NIMROD. We present initial results from nonlinear single-fluid runs at S =104 for both geometries and a range of equilibrium parameters, which preliminarily show that the magnetic fluctuations are roughly similar between the two geometries and between simulation and experiment, though there appear to be some qualitative differences in their temporal evolution. Runs at higher S are planned. This work is supported by the U.S. DOE and by the Japan Society for the Promotion of Science.

Sharp Interface Algorithm for Large Density Ratio Incompressible Multiphase Magnetohydrodynamic Flows

DTIC Science & Technology

2013-01-01

experiments on liquid metal jets . The FronTier-MHD code has been used for simulations of liquid mercury targets for the proposed muon collider...validated through the comparison with experiments on liquid metal jets . The FronTier-MHD code has been used for simulations of liquid mercury targets...FronTier-MHD code have been performed using experimental and theoretical studies of liquid mercury jets in magnetic fields. Experimental studies of a

Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics.

PubMed

Nagata, Yuki; Ohto, Tatsuhiko; Backus, Ellen H G; Bonn, Mischa

2016-04-28

Understanding aqueous interfaces at the molecular level is not only fundamentally important, but also highly relevant for a variety of disciplines. For instance, electrode-water interfaces are relevant for electrochemistry, as are mineral-water interfaces for geochemistry and air-water interfaces for environmental chemistry; water-lipid interfaces constitute the boundaries of the cell membrane, and are thus relevant for biochemistry. One of the major challenges in these fields is to link macroscopic properties such as interfacial reactivity, solubility, and permeability as well as macroscopic thermodynamic and spectroscopic observables to the structure, structural changes, and dynamics of molecules at these interfaces. Simulations, by themselves, or in conjunction with appropriate experiments, can provide such molecular-level insights into aqueous interfaces. In this contribution, we review the current state-of-the-art of three levels of molecular dynamics (MD) simulation: ab initio, force field, and coarse-grained. We discuss the advantages, the potential, and the limitations of each approach for studying aqueous interfaces, by assessing computations of the sum-frequency generation spectra and surface tension. The comparison of experimental and simulation data provides information on the challenges of future MD simulations, such as improving the force field models and the van der Waals corrections in ab initio MD simulations. Once good agreement between experimental observables and simulation can be established, the simulation can be used to provide insights into the processes at a level of detail that is generally inaccessible to experiments. As an example we discuss the mechanism of the evaporation of water. We finish by presenting an outlook outlining four future challenges for molecular dynamics simulations of aqueous interfacial systems.

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields.

PubMed

Matthews, James F; Beckham, Gregg T; Bergenstråhle-Wohlert, Malin; Brady, John W; Himmel, Michael E; Crowley, Michael F

2012-02-14

Molecular dynamics simulations of cellulose have recently become more prevalent due to increased interest in renewable energy applications, and many atomistic and coarse-grained force fields exist that can be applied to cellulose. However, to date no systematic comparison between carbohydrate force fields has been conducted for this important system. To that end, we present a molecular dynamics simulation study of hydrated, 36-chain cellulose Iβ microfibrils at room temperature with three carbohydrate force fields (CHARMM35, GLYCAM06, and Gromos 45a4) up to the near-microsecond time scale. Our results indicate that each of these simulated microfibrils diverge from the cellulose Iβ crystal structure to varying degrees under the conditions tested. The CHARMM35 and GLYCAM06 force fields eventually result in structures similar to those observed at 500 K with the same force fields, which are consistent with the experimentally observed high-temperature behavior of cellulose I. The third force field, Gromos 45a4, produces behavior significantly different from experiment, from the other two force fields, and from previously reported simulations with this force field using shorter simulation times and constrained periodic boundary conditions. For the GLYCAM06 force field, initial hydrogen-bond conformations and choice of electrostatic scaling factors significantly affect the rate of structural divergence. Our results suggest dramatically different time scales for convergence of properties of interest, which is important in the design of computational studies and comparisons to experimental data. This study highlights that further experimental and theoretical work is required to understand the structure of small diameter cellulose microfibrils typical of plant cellulose.

Crip for a day: The unintended negative consequences of disability simulations.

PubMed

Nario-Redmond, Michelle R; Gospodinov, Dobromir; Cobb, Angela

2017-08-01

To investigate the impact of disability simulations on mood, self-ascribed disability stereotypes, attitudes about interacting with disabled individuals, and behavioral intentions for improving campus accessibility. Experiment 1 evaluated disability-awareness simulations by randomly assigning undergraduates (N = 60) with and without disabilities to stations simulating either dyslexia, hearing or mobility impairments. Experiment 2 extended the field study into the lab where undergraduates (N = 50) with and without disabilities each completed low vision, hearing impairment, and dyslexia simulations. Both studies incorporated pretest-posttest measures of mood, self-ascribed disability stereotypes, and attitudinal measures. In both experiments, disability simulations made participants feel more confused, embarrassed, helpless, and more vulnerable to becoming disabled themselves compared to baseline. Following the simulations, empathetic concern (warmth) toward disabled people increased in both studies, but attitudes about interacting did not improve. In Experiment 1, postsimulation anxiety, embarrassment, and helplessness were highest for those who used wheelchairs or simulated dyslexia. In Experiment 2, participants judged themselves less competent, expressed more pity, expressed more interaction discomfort, and were not more willing to interview disabled students for an accessibility project following the simulations compared to baseline. In addition, Experiment 2 found frustration, guilt, anxiety, and depression were most pronounced among those who interacted with disabled people less than once per month. Simulating disabilities promotes distress and fails to improve attitudes toward disabled people, undermining efforts to improve integration even while participants report more empathetic concern and "understanding of what the disability experience is like." (PsycINFO Database Record (c) 2017 APA, all rights reserved).

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

Analysis of a high brightness photo electron beam with self field and wake field effects

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

Parsa, Z.

High brightness sources are the basic ingredients in the new accelerator developments such as Free-Electron Laser experiments. The effects of the interactions between the highly charged particles and the fields in the accelerating structure, e.g. R.F., Space charge and Wake fields can be detrimental to the beam and the experiments. We present and discuss the formulation used, some simulation and results for the Brookhaven National Laboratory high brightness beam that illustrates effects of the accelerating field, space charge forces (e.g. due to self field of the bunch), and the wake field (e.g. arising from the interaction of the cavity surfacemore » and the self field of the bunch).« less

Evaluation of rainfall structure on hydrograph simulation: Comparison of radar and interpolated methods, a study case in a tropical catchment

NASA Astrophysics Data System (ADS)

Velasquez, N.; Ochoa, A.; Castillo, S.; Hoyos Ortiz, C. D.

2017-12-01

The skill of river discharge simulation using hydrological models strongly depends on the quality and spatio-temporal representativeness of precipitation during storm events. All precipitation measurement strategies have their own strengths and weaknesses that translate into discharge simulation uncertainties. Distributed hydrological models are based on evolving rainfall fields in the same time scale as the hydrological simulation. In general, rainfall measurements from a dense and well maintained rain gauge network provide a very good estimation of the total volume for each rainfall event, however, the spatial structure relies on interpolation strategies introducing considerable uncertainty in the simulation process. On the other hand, rainfall retrievals from radar reflectivity achieve a better spatial structure representation but with higher uncertainty in the surface precipitation intensity and volume depending on the vertical rainfall characteristics and radar scan strategy. To assess the impact of both rainfall measurement methodologies on hydrological simulations, and in particular the effects of the rainfall spatio-temporal variability, a numerical modeling experiment is proposed including the use of a novel QPE (Quantitative Precipitation Estimation) method based on disdrometer data in order to estimate surface rainfall from radar reflectivity. The experiment is based on the simulation of 84 storms, the hydrological simulations are carried out using radar QPE and two different interpolation methods (IDW and TIN), and the assessment of simulated peak flow. Results show significant rainfall differences between radar QPE and the interpolated fields, evidencing a poor representation of storms in the interpolated fields, which tend to miss the precise location of the intense precipitation cores, and to artificially generate rainfall in some areas of the catchment. Regarding streamflow modelling, the potential improvement achieved by using radar QPE depends on the density of the rain gauge network and its distribution relative to the precipitation events. The results for the 84 storms show a better model skill using radar QPE than the interpolated fields. Results using interpolated fields are highly affected by the dominant rainfall type and the basin scale.

Scrutinizing Molecular Mechanics Force Fields on the Submicrosecond Timescale with NMR Data

PubMed Central

Lange, Oliver F.; van der Spoel, David; de Groot, Bert L.

2010-01-01

Abstract Protein dynamics on the atomic level and on the microsecond timescale has recently become accessible from both computation and experiment. To validate molecular dynamics (MD) at the submicrosecond timescale against experiment we present microsecond MD simulations in 10 different force-field configurations for two globular proteins, ubiquitin and the gb3 domain of protein G, for which extensive NMR data is available. We find that the reproduction of the measured NMR data strongly depends on the chosen force field and electrostatics treatment. Generally, particle-mesh Ewald outperforms cut-off and reaction-field approaches. A comparison to measured J-couplings across hydrogen bonds suggests that there is room for improvement in the force-field description of hydrogen bonds in most modern force fields. Our results show that with current force fields, simulations beyond hundreds of nanoseconds run an increased risk of undergoing transitions to nonnative conformational states or will persist within states of high free energy for too long, thus skewing the obtained population frequencies. Only for the AMBER99sb force field have such transitions not been observed. Thus, our results have significance for the interpretation of data obtained with long MD simulations, for the selection of force fields for MD studies and for force-field development. We hope that this comprehensive benchmark based on NMR data applied to many popular MD force fields will serve as a useful resource to the MD community. Finally, we find that for gb3, the force-field AMBER99sb reaches comparable accuracy in back-calculated residual dipolar couplings and J-couplings across hydrogen bonds to ensembles obtained by refinement against NMR data. PMID:20643085

'The Monkey and the Hunter' and Other Projectile Motion Experiments with Logo.

ERIC Educational Resources Information Center

Kolodiy, George Oleh

1988-01-01

Presents the LOGO computer language as a source to experience and investigate scientific laws. Discusses aspects and uses of LOGO. Lists two LOGO programs, one to simulate a gravitational field and the other projectile motion. (MVL)

Improved Field-Effect Transistor Equations for Computer Simulation.

ERIC Educational Resources Information Center

Kidd, Richard; Ardini, James

1979-01-01

Presents a laboratory experiment that was developed to acquaint physics students with field-effect transistor characteristics and circuits. Computer-drawn curves supplementing student laboratory exercises can be generated to provide more permanent, usable data than those taken from a curve tracer. (HM)

Improving the Canadian Precipitation Analysis Estimates through an Observing System Simulation Experiment

NASA Astrophysics Data System (ADS)

Abbasnezhadi, K.; Rasmussen, P. F.; Stadnyk, T.

2014-12-01

To gain a better understanding of the spatiotemporal distribution of rainfall over the Churchill River basin, this study was undertaken. The research incorporates gridded precipitation data from the Canadian Precipitation Analysis (CaPA) system. CaPA has been developed by Environment Canada and provides near real-time precipitation estimates on a 10 km by 10 km grid over North America at a temporal resolution of 6 hours. The spatial fields are generated by combining forecasts from the Global Environmental Multiscale (GEM) model with precipitation observations from the network of synoptic weather stations. CaPA's skill is highly influenced by the number of weather stations in the region of interest as well as by the quality of the observations. In an attempt to evaluate the performance of CaPA as a function of the density of the weather station network, a dual-stage design algorithm to simulate CaPA is proposed which incorporates generated weather fields. More specifically, we are adopting a controlled design algorithm which is generally known as Observing System Simulation Experiment (OSSE). The advantage of using the experiment is that one can define reference precipitation fields assumed to represent the true state of rainfall over the region of interest. In the first stage of the defined OSSE, a coupled stochastic model of precipitation and temperature gridded fields is calibrated and validated. The performance of the generator is then validated by comparing model statistics with observed statistics and by using the generated samples as input to the WATFLOOD™ hydrologic model. In the second stage of the experiment, in order to account for the systematic error of station observations and GEM fields, representative errors are to be added to the reference field using by-products of CaPA's variographic analysis. These by-products explain the variance of station observations and background errors.

Visualizing light with electrons

NASA Astrophysics Data System (ADS)

Fitzgerald, J. P. S.; Word, R. C.; Koenenkamp, R.

2014-03-01

In multiphoton photoemission electron microscopy (nP-PEEM) electrons are emitted from surfaces at a rate proportional to the surface electromagnetic field amplitude. We use 2P-PEEM to give nanometer scale visualizations of light of diffracted and waveguide fields around various microstructures. We use Fourier analysis to determine the phase and amplitude of surface fields in relation to incident light from the interference patterns. To provide quick and intuitive simulations of surface fields, we employ two dimensional Fresnel-Kirchhoff integration, a technique based on freely propagating waves and Huygens' principle. We find generally good agreement between simulations and experiment. Additionally diffracted wave simulations exhibit greater phase accuracy, indicating that these waves are well represented by a two dimensional approximation. The authors gratefully acknowledge funding of this research by the US-DOE Basic Science Office under Contract DE-FG02-10ER46406.

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.

APEX Model Simulation for Row Crop Watersheds with Agroforestry and Grass Buffers

USDA-ARS?s Scientific Manuscript database

Watershed model simulation has become an important tool in studying ways and means to reduce transport of agricultural pollutants. Conducting field experiments to assess buffer influences on water quality are constrained by the large-scale nature of watersheds, high experimental costs, private owner...

The simulation method in learning interpersonal communication competence--experiences of masters' degree students of health sciences.

PubMed

Saaranen, Terhi; Vaajoki, Anne; Kellomäki, Marjaana; Hyvärinen, Marja-Leena

2015-02-01

This article describes the experiences of master students of nursing science in learning interpersonal communication competence through the simulation method. The exercises reflected challenging interactive situations in the field of health care. Few studies have been published on using the simulation method in the communication education of teachers, managers, and experts in this field. The aim of this study is to produce information which can be utilised in developing the simulation method to promote the interpersonal communication competence of master-level students of health sciences. This study used the qualitative, descriptive research method. At the Department of Nursing Science, the University of Eastern Finland, students major in nursing science specialise in nursing leadership and management, preventive nursing science, or nurse teacher education. Students from all three specialties taking the Challenging Situations in Speech Communication course participated (n=47). Essays on meaningful learning experiences collected using the critical incident technique, underwent content analysis. Planning of teaching, carrying out different stages of the simulation exercise, participant roles, and students' personal factors were central to learning interpersonal communication competence. Simulation is a valuable method in developing the interpersonal communication competence of students of health sciences at the masters' level. The methods used in the simulation teaching of emergency care are not necessarily applicable as such to communication education. The role of teacher is essential to supervising students' learning in simulation exercises. In the future, it is important to construct questions that help students to reflect specifically on communication. Copyright © 2014 Elsevier Ltd. All rights reserved.

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).

Acoustic holography as a metrological tool for characterizing medical ultrasound sources and fields

PubMed Central

Sapozhnikov, Oleg A.; Tsysar, Sergey A.; Khokhlova, Vera A.; Kreider, Wayne

2015-01-01

Acoustic holography is a powerful technique for characterizing ultrasound sources and the fields they radiate, with the ability to quantify source vibrations and reduce the number of required measurements. These capabilities are increasingly appealing for meeting measurement standards in medical ultrasound; however, associated uncertainties have not been investigated systematically. Here errors associated with holographic representations of a linear, continuous-wave ultrasound field are studied. To facilitate the analysis, error metrics are defined explicitly, and a detailed description of a holography formulation based on the Rayleigh integral is provided. Errors are evaluated both for simulations of a typical therapeutic ultrasound source and for physical experiments with three different ultrasound sources. Simulated experiments explore sampling errors introduced by the use of a finite number of measurements, geometric uncertainties in the actual positions of acquired measurements, and uncertainties in the properties of the propagation medium. Results demonstrate the theoretical feasibility of keeping errors less than about 1%. Typical errors in physical experiments were somewhat larger, on the order of a few percent; comparison with simulations provides specific guidelines for improving the experimental implementation to reduce these errors. Overall, results suggest that holography can be implemented successfully as a metrological tool with small, quantifiable errors. PMID:26428789

Simulation of a conductive shield plate for the focalization of transcranial magnetic stimulation in the rat.

PubMed

Gasca, Fernando; Richter, Lars; Schweikard, Achim

2010-01-01

Transcranial Magnetic Stimulation (TMS) in the rat is a powerful tool for investigating brain function. However, the state-of-the-art experiments are considerably limited because the stimulation usually affects undesired anatomical structures. A simulation of a conductive shield plate placed between the coil stimulator and the rat brain during TMS is presented. The Finite Element (FE) method is used to obtain the 3D electric field distribution on a four-layer rat head model. The simulations show that the shield plate with a circular window can improve the focalization of stimulation, as quantitatively seen by computing the three-dimensional half power region (HPR). Focalization with the shield plate showed a clear compromise with the attenuation of the induced field. The results suggest that the shield plate can work as a helpful tool for conducting TMS rat experiments on specific targets.

The hybrid RANS/LES of partially premixed supersonic combustion using G/Z flamelet model

NASA Astrophysics Data System (ADS)

Wu, Jinshui; Wang, Zhenguo; Bai, Xuesong; Sun, Mingbo; Wang, Hongbo

2016-10-01

In order to describe partially premixed supersonic combustion numerically, G/Z flamelet model is developed and compared with finite rate model in hybrid RANS/LES simulation to study the strut-injection supersonic combustion flow field designed by the German Aerospace Center. A new temperature calculation method based on time-splitting method of total energy is introduced in G/Z flamelet model. Simulation results show that temperature predictions in partially premixed zone by G/Z flamelet model are more consistent with experiment than finite rate model. It is worth mentioning that low temperature reaction zone behind the strut is well reproduced. Other quantities such as average velocity and average velocity fluctuation obtained by developed G/Z flamelet model are also in good agreement with experiment. Besides, simulation results by G/Z flamelet also reveal the mechanism of partially premixed supersonic combustion by the analyses of the interaction between turbulent burning velocity and flow field.

Numerical design of a magnetized turbulence experiment at the National Ignition Facility

NASA Astrophysics Data System (ADS)

Feister, Scott; Tzeferacos, Petros; Meinecke, Jena; Bott, Archie; Caprioli, Damiano; Laune, Jt; Bell, Tony; Casner, Alexis; Koenig, Michel; Li, Chikang; Miniati, Francesco; Petrasso, Richard; Remington, Bruce; Reville, Brian; Ross, J. Steven; Ryu, Dongsu; Ryutov, Dmitri; Sio, Hong; Turnbull, David; Zylstra, Alex; Schekochihin, Alexander; Froula, Dustin; Park, Hye-Sook; Lamb, Don; Gregori, Gianluca

2017-10-01

The origin and amplification of magnetic fields remains an active astrophysical research topic. We discuss design (using three-dimensional FLASH simulations) of a magnetized turbulence experiment at the National Ignition Facility (NIF). NIF lasers drive together two counter-propagating plasma flows to form a hot, turbulent plasma at the center. In the simulations, plasma temperatures are high enough to reach super-critical values of magnetic Reynolds number (Rm). Biermann battery seed magnetic fields (generated during laser-target interaction) are advected into the turbulent region and amplified by fluctuation dynamo in the above-unity Prandtl number regime. Plasma diagnostics are modeled with FLASH for planning and direct comparison with NIF experimental data. This work was supported in part at the University of Chicago by the DOE NNSA, the DOE Office of Science, and the NSF. The numerical simulations were conducted at ALCF's Mira under the auspices of the DOE Office of Science ALCC program.

Molecular simulation of gas adsorption and diffusion in a breathing MOF using a rigid force field.

PubMed

García-Pérez, E; Serra-Crespo, P; Hamad, S; Kapteijn, F; Gascon, J

2014-08-14

Simulation of gas adsorption in flexible porous materials is still limited by the slow progress in the development of flexible force fields. Moreover, the high computational cost of such flexible force fields may be a drawback even when they are fully developed. In this work, molecular simulations of gas adsorption and diffusion of carbon dioxide and methane in NH2-MIL-53(Al) are carried out using a linear combination of two crystallographic structures with rigid force fields. Once the interactions of carbon dioxide molecules and the bridging hydroxyls groups of the framework are optimized, an excellent match is found for simulations and experimental data for the adsorption of methane and carbon dioxide, including the stepwise uptake due to the breathing effect. In addition, diffusivities of pure components are calculated. The pore expansion by the breathing effect influences the self-diffusion mechanism and much higher diffusivities are observed at relatively high adsorbate loadings. This work demonstrates that using a rigid force field combined with a minimum number of experiments, reproduces adsorption and simulates diffusion of carbon dioxide and methane in the flexible metal-organic framework NH2-MIL-53(Al).

Macroscopic quantum tunneling escape of Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Zhao, Xinxin; Alcala, Diego A.; McLain, Marie A.; Maeda, Kenji; Potnis, Shreyas; Ramos, Ramon; Steinberg, Aephraim M.; Carr, Lincoln D.

2017-12-01

Recent experiments on macroscopic quantum tunneling reveal a nonexponential decay of the number of atoms trapped in a quasibound state behind a potential barrier. Through both experiment and theory, we demonstrate this nonexponential decay results from interactions between atoms. Quantum tunneling of tens of thousands of 87Rb atoms in a Bose-Einstein condensate is modeled by a modified Jeffreys-Wentzel-Kramers-Brillouin model, taking into account the effective time-dependent barrier induced by the mean field. Three-dimensional Gross-Pitaevskii simulations corroborate a mean-field result when compared with experiments. However, with one-dimensional modeling using time-evolving block decimation, we present an effective renormalized mean-field theory that suggests many-body dynamics for which a bare mean-field theory may not apply.

Emergency Airway Response Team Simulation Training: A Nursing Perspective.

PubMed

Crimlisk, Janet T; Krisciunas, Gintas P; Grillone, Gregory A; Gonzalez, R Mauricio; Winter, Michael R; Griever, Susan C; Fernandes, Eduarda; Medzon, Ron; Blansfield, Joseph S; Blumenthal, Adam

Simulation-based education is an important tool in the training of professionals in the medical field, especially for low-frequency, high-risk events. An interprofessional simulation-based training program was developed to enhance Emergency Airway Response Team (EART) knowledge, team dynamics, and personnel confidence. This quality improvement study evaluated the EART simulation training results of nurse participants. Twenty-four simulation-based classes of 4-hour sessions were conducted during a 12-week period. Sixty-three nurses from the emergency department (ED) and the intensive care units (ICUs) completed the simulation. Participants were evaluated before and after the simulation program with a knowledge-based test and a team dynamics and confidence questionnaire. Additional comparisons were made between ED and ICU nurses and between nurses with previous EART experience and those without previous EART experience. Comparison of presimulation (presim) and postsimulation (postsim) results indicated a statistically significant gain in both team dynamics and confidence and Knowledge Test scores (P < .01). There were no differences in scores between ED and ICU groups in presim or postsim scores; nurses with previous EART experience demonstrated significantly higher presim scores than nurses without EART experience, but there were no differences between these nurse groups at postsim. This project supports the use of simulation training to increase nurses' knowledge, confidence, and team dynamics in an EART response. Importantly, nurses with no previous experience achieved outcome scores similar to nurses who had experience, suggesting that emergency airway simulation is an effective way to train both new and experienced nurses.

Testing the Effect of Cropping Practices on Soil Erosion Rates - Application of Field Rainfall Simulator

NASA Astrophysics Data System (ADS)

Dostál, Tomáš; Zumr, David; Krása, Josef; Kavka, Petr; Strouhal, Luděk

2017-04-01

C factor, the protection effect of the vegetation cover, is a key parameter which is introduced in the basic empirical soil erosion relationships (e.g. USLE). The C factor values for various crops in various grow stages are usually estimated based on the catalogue values. As these values often do not fit to the observed data from the plot experiments or do not represent actually grown crops, we decided to validate and extend the database. We present a methodology and primary results of tens of the field rainfall simulation experiments conducted on several agricultural crops with different BBCH. The rainfall simulations were done with the mobile field rainfall simulator of the Czech Technical University. The tested plots of the size 2 x 8,7 m were repeatedly exposed to the artificial rainfalls with intensity of 60 mm/h and duration of 30 to 60 minutes. The experiments were always performed twice on a bare soil and twice on the vegetated plots (to mimic dry and wet initial soil conditions). The tests were done on several slopes in the Czech Republic, the soils were mostly Cambisols with various organic matter content and stoniness. Based on the results we will be able to correct and validate the C factor values for the currently most widely grown crops in the conditions of the Central Europe. The presentation is funded by Ministry of Agriculture of the Czech Republic (research project QJ1530181) and an internal student CTU grant.

Spatiotemporal dynamics of oscillatory cellular patterns in three-dimensional directional solidification.

PubMed

Bergeon, N; Tourret, D; Chen, L; Debierre, J-M; Guérin, R; Ramirez, A; Billia, B; Karma, A; Trivedi, R

2013-05-31

We report results of directional solidification experiments conducted on board the International Space Station and quantitative phase-field modeling of those experiments. The experiments image for the first time in situ the spatially extended dynamics of three-dimensional cellular array patterns formed under microgravity conditions where fluid flow is suppressed. Experiments and phase-field simulations reveal the existence of oscillatory breathing modes with time periods of several 10's of minutes. Oscillating cells are usually noncoherent due to array disorder, with the exception of small areas where the array structure is regular and stable.

Particle-in-Cell Simulations of the Twisted Magnetospheres of Magnetars. I.

NASA Astrophysics Data System (ADS)

Chen, Alexander Y.; Beloborodov, Andrei M.

2017-08-01

The magnetospheres of magnetars are believed to be filled with electron-positron plasma generated by electric discharge. We present a first numerical experiment demonstrating this process in an axisymmetric magnetosphere with a simple threshold prescription for pair creation, which is applicable to the inner magnetosphere with an ultrastrong field. The {e}+/- discharge occurs in response to the twisting of the closed magnetic field lines by a shear deformation of the magnetar surface, which launches electric currents into the magnetosphere. The simulation shows the formation of an electric “gap” with an unscreened electric field ({\\boldsymbol{E}}\\cdot {\\boldsymbol{B}}\

Additional road markings as an indication of speed limits: results of a field experiment and a driving simulator study.

PubMed

Daniels, Stijn; Vanrie, Jan; Dreesen, An; Brijs, Tom

2010-05-01

Although speed limits are indicated by road signs, road users are not always aware, while driving, of the actual speed limit on a given road segment. The Roads and Traffic Agency developed additional road markings in order to support driver decisions on speed on 70 km/h roads in Flanders-Belgium. In this paper the results are presented of two evaluation studies, both a field study and a simulator study, on the effects of the additional road markings on speed behaviour. The results of the field study showed no substantial effect of the markings on speed behaviour. Neither did the simulator study, with slightly different stimuli. Nevertheless an effect on lateral position was noticed in the simulator study, showing at least some effect of the markings. The role of conspicuity of design elements and expectations towards traffic environments is discussed. Both studies illustrate well some strengths and weaknesses of observational field studies compared to experimental simulator studies. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

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

Comparison of Coarse-Grained Approaches in Predicting Polymer Nanocomposite Phase Behavior

DOE PAGES

Koski, Jason P.; Ferrier, Robert C.; Krook, Nadia M.; ...

2017-11-02

Because of the considerable parameter space, efficient theoretical and simulation methods are required to predict the morphology and guide experiments in polymer nanocomposites (PNCs). Unfortunately, theoretical and simulation methods are restricted in their ability to accurately map to experiments based on necessary approximations and numerical limitations. In this study, we provide direct comparisons of two recently developed coarse-grained approaches for modeling polymer nanocomposites (PNCs): polymer nanocomposite field theory (PNC-FT) and dynamic mean-field theory (DMFT). These methods are uniquely suited to efficiently capture mesoscale phase behavior of PNCs in comparison to other theoretical and simulation frameworks. We demonstrate the ability ofmore » both methods to capture macrophase separation and describe the thermodynamics of PNCs. We systematically test how the nanoparticle morphology in PNCs is affected by a uniform probability distribution of grafting sites, common in field-based methods, versus random discrete grafting sites on the nanoparticle surface. We also analyze the accuracy of the mean-field approximation in capturing the phase behavior of PNCs. Moreover, the DMFT method introduces the ability to describe nonequilibrium phase behavior while the PNC-FT method is strictly an equilibrium method. With the DMFT method we are able to show the evolution of nonequilibrium states toward their equilibrium state and a qualitative assessment of the dynamics in these systems. These simulations are compared to experiments consisting of polystyrene grafted gold nanorods in a poly(methyl methacrylate) matrix to ensure the model gives results that qualitatively agree with the experiments. This study reveals that nanoparticles in a relatively high matrix molecular weight are trapped in a nonequilibrium state and demonstrates the utility of the DMFT framework in capturing nonequilibrium phase behavior of PNCs. In conclusion, both the PNC-FT and DMFT framework are promising methods to describe the thermodynamic and nonequilibrium phase behavior of PNCs.« less

Comparison of Coarse-Grained Approaches in Predicting Polymer Nanocomposite Phase Behavior

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

Koski, Jason P.; Ferrier, Robert C.; Krook, Nadia M.

Because of the considerable parameter space, efficient theoretical and simulation methods are required to predict the morphology and guide experiments in polymer nanocomposites (PNCs). Unfortunately, theoretical and simulation methods are restricted in their ability to accurately map to experiments based on necessary approximations and numerical limitations. In this study, we provide direct comparisons of two recently developed coarse-grained approaches for modeling polymer nanocomposites (PNCs): polymer nanocomposite field theory (PNC-FT) and dynamic mean-field theory (DMFT). These methods are uniquely suited to efficiently capture mesoscale phase behavior of PNCs in comparison to other theoretical and simulation frameworks. We demonstrate the ability ofmore » both methods to capture macrophase separation and describe the thermodynamics of PNCs. We systematically test how the nanoparticle morphology in PNCs is affected by a uniform probability distribution of grafting sites, common in field-based methods, versus random discrete grafting sites on the nanoparticle surface. We also analyze the accuracy of the mean-field approximation in capturing the phase behavior of PNCs. Moreover, the DMFT method introduces the ability to describe nonequilibrium phase behavior while the PNC-FT method is strictly an equilibrium method. With the DMFT method we are able to show the evolution of nonequilibrium states toward their equilibrium state and a qualitative assessment of the dynamics in these systems. These simulations are compared to experiments consisting of polystyrene grafted gold nanorods in a poly(methyl methacrylate) matrix to ensure the model gives results that qualitatively agree with the experiments. This study reveals that nanoparticles in a relatively high matrix molecular weight are trapped in a nonequilibrium state and demonstrates the utility of the DMFT framework in capturing nonequilibrium phase behavior of PNCs. In conclusion, both the PNC-FT and DMFT framework are promising methods to describe the thermodynamic and nonequilibrium phase behavior of PNCs.« less

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.

Absolute dose calculations for Monte Carlo simulations of radiotherapy beams.

PubMed

Popescu, I A; Shaw, C P; Zavgorodni, S F; Beckham, W A

2005-07-21

Monte Carlo (MC) simulations have traditionally been used for single field relative comparisons with experimental data or commercial treatment planning systems (TPS). However, clinical treatment plans commonly involve more than one field. Since the contribution of each field must be accurately quantified, multiple field MC simulations are only possible by employing absolute dosimetry. Therefore, we have developed a rigorous calibration method that allows the incorporation of monitor units (MU) in MC simulations. This absolute dosimetry formalism can be easily implemented by any BEAMnrc/DOSXYZnrc user, and applies to any configuration of open and blocked fields, including intensity-modulated radiation therapy (IMRT) plans. Our approach involves the relationship between the dose scored in the monitor ionization chamber of a radiotherapy linear accelerator (linac), the number of initial particles incident on the target, and the field size. We found that for a 10 x 10 cm2 field of a 6 MV photon beam, 1 MU corresponds, in our model, to 8.129 x 10(13) +/- 1.0% electrons incident on the target and a total dose of 20.87 cGy +/- 1.0% in the monitor chambers of the virtual linac. We present an extensive experimental verification of our MC results for open and intensity-modulated fields, including a dynamic 7-field IMRT plan simulated on the CT data sets of a cylindrical phantom and of a Rando anthropomorphic phantom, which were validated by measurements using ionization chambers and thermoluminescent dosimeters (TLD). Our simulation results are in excellent agreement with experiment, with percentage differences of less than 2%, in general, demonstrating the accuracy of our Monte Carlo absolute dose calculations.

Soil erodibility variability in laboratory and field rainfall simulations

NASA Astrophysics Data System (ADS)

Szabó, Boglárka; Szabó, Judit; Jakab, Gergely; Centeri, Csaba; Szalai, Zoltán

2017-04-01

Rainfall simulation experiments are the most common way to observe and to model the soil erosion processes in in situ and ex situ circumstances. During modelling soil erosion, one of the most important factors are the annual soil loss and the soil erodibility which represent the effect of soil properties on soil loss and the soil resistance against water erosion. The amount of runoff and soil loss can differ in case of the same soil type, while it's characteristics determine the soil erodibility factor. This leads to uncertainties regarding soil erodibility. Soil loss and soil erodibility were examined with the investigation of the same soil under laboratory and field conditions with rainfall simulators. The comparative measurement was carried out in a laboratory on 0,5 m2, and in the field (Shower Power-02) on 6 m2 plot size where the applied slope angles were 5% and 12% with 30 and 90 mm/h rainfall intensity. The main idea was to examine and compare the soil erodibility and its variability coming from the same soil, but different rainfall simulator type. The applied model was the USLE, nomograph and other equations which concern single rainfall events. The given results show differences between the field and laboratory experiments and between the different calculations. Concerning for the whole rainfall events runoff and soil loss, were significantly higher at the laboratory experiments, which affected the soil erodibility values too. The given differences can originate from the plot size. The main research questions are that: How should we handle the soil erodibility factors and its significant variability? What is the best solution for soil erodibility determination?

Electrohydrodynamics of drops in strong electric fields: Simulations and theory

NASA Astrophysics Data System (ADS)

Saintillan, David; Das, Debasish

2016-11-01

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

Astronauts Young and Duke begin simulated lunar surface traverse at KSC

NASA Technical Reports Server (NTRS)

1972-01-01

Astronauts John W. Young, right, Apollo 16 commander, and Charles M. Duke Jr., lunar module pilot, prepare to begin a simulated traverse in a training area at the Kennedy Space Center (KSC). Among the experiments to fly on Apollo 16 is the soil mechanics (S-200) experiment, or self-recording penetrometer, a model of which is held here by Duke. A training model of the Lunar Roving Vehicle (LRV) is parked between the two crewmen (30694); Young and Duke maneuver a training version of the LRV about a field at KSC simulated to represent the lunar surface (30695).

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.

Design of field experiments: Influence of treatment response relative to standard deviation and blocking factor characteristics on efficient blocking strategy

USDA-ARS?s Scientific Manuscript database

Selection of experimental design can markedly influence efficiency of field research. This study used Monte Carlo simulations to compare the ability of different field experimental designs to distinguish defined treatment differences, and the paper concludes with a section on practical use of the in...

Assessment of Land Surface Models in a High-Resolution Atmospheric Model during Indian Summer Monsoon

NASA Astrophysics Data System (ADS)

Attada, Raju; Kumar, Prashant; Dasari, Hari Prasad

2018-04-01

Assessment of the land surface models (LSMs) on monsoon studies over the Indian summer monsoon (ISM) region is essential. In this study, we evaluate the skill of LSMs at 10 km spatial resolution in simulating the 2010 monsoon season. The thermal diffusion scheme (TDS), rapid update cycle (RUC), and Noah and Noah with multi-parameterization (Noah-MP) LSMs are chosen based on nature of complexity, that is, from simple slab model to multi-parameterization options coupled with the Weather Research and Forecasting (WRF) model. Model results are compared with the available in situ observations and reanalysis fields. The sensitivity of monsoon elements, surface characteristics, and vertical structures to different LSMs is discussed. Our results reveal that the monsoon features are reproduced by WRF model with all LSMs, but with some regional discrepancies. The model simulations with selected LSMs are able to reproduce the broad rainfall patterns, orography-induced rainfall over the Himalayan region, and dry zone over the southern tip of India. The unrealistic precipitation pattern over the equatorial western Indian Ocean is simulated by WRF-LSM-based experiments. The spatial and temporal distributions of top 2-m soil characteristics (soil temperature and soil moisture) are well represented in RUC and Noah-MP LSM-based experiments during the ISM. Results show that the WRF simulations with RUC, Noah, and Noah-MP LSM-based experiments significantly improved the skill of 2-m temperature and moisture compared to TDS (chosen as a base) LSM-based experiments. Furthermore, the simulations with Noah, RUC, and Noah-MP LSMs exhibit minimum error in thermodynamics fields. In case of surface wind speed, TDS LSM performed better compared to other LSM experiments. A significant improvement is noticeable in simulating rainfall by WRF model with Noah, RUC, and Noah-MP LSMs over TDS LSM. Thus, this study emphasis the importance of choosing/improving LSMs for simulating the ISM phenomena in a regional model.

Flight Simulator Evaluation of Display Media Devices for Synthetic Vision Concepts

NASA Technical Reports Server (NTRS)

Arthur, J. J., III; Williams, Steven P.; Prinzel, Lawrence J., III; Kramer, Lynda J.; Bailey, Randall E.

2004-01-01

The Synthetic Vision Systems (SVS) Project of the National Aeronautics and Space Administration's (NASA) Aviation Safety Program (AvSP) is striving to eliminate poor visibility as a causal factor in aircraft accidents as well as enhance operational capabilities of all aircraft. To accomplish these safety and capacity improvements, the SVS concept is designed to provide a clear view of the world around the aircraft through the display of computer-generated imagery derived from an onboard database of terrain, obstacle, and airport information. Display media devices with which to implement SVS technology that have been evaluated so far within the Project include fixed field of view head up displays and head down Primary Flight Displays with pilot-selectable field of view. A simulation experiment was conducted comparing these display devices to a fixed field of view, unlimited field of regard, full color Helmet-Mounted Display system. Subject pilots flew a visual circling maneuver in IMC at a terrain-challenged airport. The data collected for this experiment is compared to past SVS research studies.

Particle-In-Cell simulation concerning heat-flux mitigation using electromagnetic fields

NASA Astrophysics Data System (ADS)

Lüskow, Karl Felix; Duras, Julia; Kemnitz, Stefan; Kahnfeld, Daniel; Matthias, Paul; Bandelow, Gunnas; Schneider, Ralf; Konigorski, Detlev

2016-10-01

In space missions enormous amount of money is spent for the thermal protection system for re-entry. To avoid complex materials and save money one idea is to reduce the heat-flux towards the spacecraft. The partially-ionized gas can be controlled by electromagnetic fields. For first-principle tests partially ionized argon flow from an arc-jet was used to measure the heat-flux mitigation created by an external magnetic field. In the successful experiment a reduction of 85% was measured. In this work the Particle-in-Cell (PIC) method was used to simulate this experiment. PIC is able to reproduce the heat flux mitigation qualitatively. The main mechanism is identified as a changed electron transport and by this, modified electron density due to the reaction to the applied magnetic field. Ions follow due to quasi-neutrality and influence then strongly by charge exchange collisions the neutrals dynamics and heat deposition. This work was supported by the German Space Agency DLR through Project 50RS1508.

Mineral transformation and biomass accumulation associated with uranium bioremediation at Rifle, Colorado

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

Li, L.; Steefel, C.I.; Williams, K.H.

2009-04-20

Injection of organic carbon into the subsurface as an electron donor for bioremediation of redox-sensitive contaminants like uranium often leads to mineral transformation and biomass accumulation, both of which can alter the flow field and potentially bioremediation efficacy. This work combines reactive transport modeling with a column experiment and field measurements to understand the biogeochemical processes and to quantify the biomass and mineral transformation/accumulation during a bioremediation experiment at a uranium contaminated site near Rifle, Colorado. We use the reactive transport model CrunchFlow to explicitly simulate microbial community dynamics of iron and sulfate reducers, and their impacts on reaction rates.more » The column experiment shows clear evidence of mineral precipitation, primarily in the form of calcite and iron monosulfide. At the field scale, reactive transport simulations suggest that the biogeochemical reactions occur mostly close to the injection wells where acetate concentrations are highest, with mineral precipitate and biomass accumulation reaching as high as 1.5% of the pore space. This work shows that reactive transport modeling coupled with field data can be an effective tool for quantitative estimation of mineral transformation and biomass accumulation, thus improving the design of bioremediation strategies.« less

Mineral transformation and biomass accumulation associated with uranium bioremediation at Rifle, Colorado.

PubMed

Li, Li; Steefel, Carl I; Williams, Kenneth H; Wilkins, Michael J; Hubbard, Susan S

2009-07-15

Injection of organic carbon into the subsurface as an electron donor for bioremediation of redox-sensitive contaminants like uranium often leads to mineral transformation and biomass accumulation, both of which can alter the flow field and potentially bioremediation efficacy. This work combines reactive transport modeling with a column experiment and field measurements to understand the biogeochemical processes and to quantify the biomass and mineral transformation/accumulation during a bioremediation experiment at a uranium contaminated site near Rifle, Colorado. We use the reactive transport model CrunchFlow to explicitly simulate microbial community dynamics of iron and sulfate reducers, and their impacts on reaction rates. The column experiment shows clear evidence of mineral precipitation, primarily in the form of calcite and iron monosulfide. At the field scale, reactive transport simulations suggest that the biogeochemical reactions occur mostly close to the injection wells where acetate concentrations are highest, with mineral precipitate and biomass accumulation reaching as high as 1.5% of the pore space. This work shows that reactive transport modeling coupled with field data can bean effective tool for quantitative estimation of mineral transformation and biomass accumulation, thus improving the design of bioremediation strategies.

Derivation of original RESP atomic partial charges for MD simulations of the LDAO surfactant with AMBER: applications to a model of micelle and a fragment of the lipid kinase PI4KA.

PubMed

Karakas, Esra; Taveneau, Cyntia; Bressanelli, Stéphane; Marchi, Massimo; Robert, Bruno; Abel, Stéphane

2017-01-01

In this paper, we describe the derivation and the validation of original RESP atomic partial charges for the N, N-dimethyl-dodecylamine oxide (LDAO) surfactant. These charges, designed to be fully compatible with all the AMBER force fields, are at first tested against molecular dynamics simulations of pure LDAO micelles and with a fragment of the lipid kinase PIK4A (DI) modeled with the QUARK molecular modeling server. To model the micelle, we used two distinct AMBER force fields (i.e. Amber99SB and Lipid14) and a variety of starting conditions. We find that the micelle structural properties (such as the shape, size, the LDAO headgroup hydration, and alkyl chain conformation) slightly depend on the force field but not on the starting conditions and more importantly are in good agreement with experiments and previous simulations. We also show that the Lipid14 force field should be used instead of the Amber99SB one to better reproduce the C(sp3)C(sp3)C(sp3)C(sp3) conformation in the surfactant alkyl chain. Concerning the simulations with LDAO-DI protein, we carried out different runs at two NaCl concentrations (i.e. 0 and 300 mM) to mimic, in the latter case, the experimental conditions. We notice a small dependence of the simulation results with the LDAO parameters and the salt concentration. However, we find that in the simulations, three out of four tryptophans of the DI protein are not accessible to water in agreement with our fluorescence spectroscopy experiments reported in the paper.

Understanding of impurity poloidal distribution in the edge pedestal by modelling

NASA Astrophysics Data System (ADS)

Rozhansky, V.; Kaveeva, E.; Molchanov, P.; Veselova, I.; Voskoboynikov, S.; Coster, D.; Fable, E.; Puetterich, T.; Viezzer, E.; Kukushkin, A. S.; Kirk, A.; the ASDEX Upgrade Team

2015-07-01

Simulation of an H-mode ASDEX Upgrade shot with boron impurity was done with the B2SOLPS5.2 transport code. Simulation results were compared with the unique experimental data available for the chosen shot: radial density, electron and ion temperature profiles in the equatorial midplanes, radial electric field profile, radial profiles of the parallel velocity of impurities at the low-field side (LFS) and high-field side (HFS), radial density profiles of impurity ions at LHS and HFS. Simulation results reproduce all available experimental data simultaneously. In particular strong poloidal HFS-LFS asymmetry of B5+ ions was predicted in accordance with the experiment. The simulated HFS B5+ density inside the edge transport barrier is twice larger than that at LFS. This is consistent with the experimental observations where even larger impurity density asymmetry was observed. A similar effect was predicted in the simulation done for the MAST H-mode. Here the HFS density of He2+ is predicted to be 4 times larger than that at LHS. Such a large predicted asymmetry is connected with a larger ratio of HFS and LFS magnetic fields which is typical for spherical tokamaks. The HFS/LFS asymmetry was not measured in the experiment, however modelling qualitatively reproduces the observed change of sign of He+parallel velocity to the counter-current direction at LFS. The understanding of the asymmetry is based on neoclassical effects in plasma with strong gradients. It is demonstrated that simulation results obtained with account of sources of ionization, realistic geometry and turbulent transport are consistent with the simplified analytical approach. Difference from the standard neoclassical theory is emphasized.

Impact of spectral nudging on the downscaling of tropical cyclones in regional climate simulations

NASA Astrophysics Data System (ADS)

Choi, Suk-Jin; Lee, Dong-Kyou

2016-06-01

This study investigated the simulations of three months of seasonal tropical cyclone (TC) activity over the western North Pacific using the Advanced Research WRF Model. In the control experiment (CTL), the TC frequency was considerably overestimated. Additionally, the tracks of some TCs tended to have larger radii of curvature and were shifted eastward. The large-scale environments of westerly monsoon flows and subtropical Pacific highs were unreasonably simulated. The overestimated frequency of TC formation was attributed to a strengthened westerly wind field in the southern quadrants of the TC center. In comparison with the experiment with the spectral nudging method, the strengthened wind speed was mainly modulated by large-scale flow that was greater than approximately 1000 km in the model domain. The spurious formation and undesirable tracks of TCs in the CTL were considerably improved by reproducing realistic large-scale atmospheric monsoon circulation with substantial adjustment between large-scale flow in the model domain and large-scale boundary forcing modified by the spectral nudging method. The realistic monsoon circulation took a vital role in simulating realistic TCs. It revealed that, in the downscaling from large-scale fields for regional climate simulations, scale interaction between model-generated regional features and forced large-scale fields should be considered, and spectral nudging is a desirable method in the downscaling method.

Analysis procedures and subjective flight results of a simulator validation and cue fidelity experiment

NASA Technical Reports Server (NTRS)

Carr, Peter C.; Mckissick, Burnell T.

1988-01-01

A joint experiment to investigate simulator validation and cue fidelity was conducted by the Dryden Flight Research Facility of NASA Ames Research Center (Ames-Dryden) and NASA Langley Research Center. The primary objective was to validate the use of a closed-loop pilot-vehicle mathematical model as an analytical tool for optimizing the tradeoff between simulator fidelity requirements and simulator cost. The validation process includes comparing model predictions with simulation and flight test results to evaluate various hypotheses for differences in motion and visual cues and information transfer. A group of five pilots flew air-to-air tracking maneuvers in the Langley differential maneuvering simulator and visual motion simulator and in an F-14 aircraft at Ames-Dryden. The simulators used motion and visual cueing devices including a g-seat, a helmet loader, wide field-of-view horizon, and a motion base platform.

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.

[Applicability of agricultural production systems simulator (APSIM) in simulating the production and water use of wheat-maize continuous cropping system in North China Plain].

PubMed

Wang, Lin; Zheng, You-fei; Yu, Qiang; Wang, En-li

2007-11-01

The Agricultural Production Systems Simulator (APSIM) was applied to simulate the 1999-2001 field experimental data and the 2002-2003 water use data at the Yucheng Experiment Station under Chinese Ecosystem Research Network, aimed to verify the applicability of the model to the wheat-summer maize continuous cropping system in North China Plain. The results showed that the average errors of the simulations of leaf area index (LAI), biomass, and soil moisture content in 1999-2000 and 2000-2001 field experiments were 27.61%, 24.59% and 7.68%, and 32.65%, 35.95% and 10.26%, respectively, and those of LAI and biomass on the soils with high and low moisture content in 2002-2003 were 26.65% and 14.52%, and 23.91% and 27.93%, respectively. The simulations of LAI and biomass accorded well with the measured values, with the coefficients of determination being > 0.85 in 1999-2000 and 2002-2003, and 0.78 in 2000-2001, indicating that APSIM had a good applicability in modeling the crop biomass and soil moisture content in the continuous cropping system, but the simulation error of LAI was a little larger.

Limitations of differential electrophoresis for measuring colloidal forces: a Brownian dynamics study.

PubMed

Holtzer, Gretchen L; Velegol, Darrell

2005-10-25

Differential electrophoresis experiments are often used to measure subpiconewton forces between two spheres of a heterodoublet. The experiments have been interpreted by solving the electrokinetic equations to obtain a simple Stokes law-type equation. However, for nanocolloids, the effects of Brownian motion alter the interpretation: (1) Brownian translation changes the rate of axial separation. (2) Brownian rotation reduces the alignment of the doublet with the applied electric field. (3) Particles can reaggregate by Brownian motion after they break, forming either heterodoublets or homodoublets, and because homodoublets cannot be broken by differential electrophoresis, this effectively terminates the experiment. We tackle points 1 and 2 using Brownian dynamics simulations (BDS) with electrophoresis as an external force, accounting for convective translation and rotation as well as Brownian translation and rotation. Our simulations identify the lower particle size limit of differential electrophoresis to be about 1 microm for desired statistical accuracy. Furthermore, our simulations predict that particles around 10 nm in size and at ambient conditions will break primarily by Brownian motion, with a negligible effect due to the electric field.

Mechanical properties of lipid bilayers from molecular dynamics simulation

PubMed Central

Venable, Richard M.; Brown, Frank L.H.; Pastor, Richard W.

2015-01-01

Lipid areas (Aℓ), bilayer area compressibilities (KA), bilayer bending constants (KC), and monolayer spontaneous curvatures (c0) from simulations using the CHARMM36 force field are reported for 12 representative homogenous lipid bilayers. Aℓ (or their surrogate, the average deuterium order parameter in the “plateau region” of the chain) agree very well with experiment, as do the KA. Simulated KC are in near quantitative agreement with vesicle flicker experiments, but are somewhat larger than KC from x-ray, pipette aspiration, and neutron spin echo for saturated lipids. Spontaneous curvatures of bilayer leaflets from the simulations are approximately 30% smaller than experimental values of monolayers in the inverse hexagonal phase. PMID:26238099

Charged particle transport in magnetic fields in EGSnrc.

PubMed

Malkov, V N; Rogers, D W O

2016-07-01

To accurately and efficiently implement charged particle transport in a magnetic field in EGSnrc and validate the code for the use in phantom and ion chamber simulations. The effect of the magnetic field on the particle motion and position is determined using one- and three-point numerical integrations of the Lorentz force on the charged particle and is added to the condensed history calculation performed by the EGSnrc PRESTA-II algorithm. The code is tested with a Fano test adapted for the presence of magnetic fields. The code is compatible with all EGSnrc based applications, including egs++. Ion chamber calculations are compared to experimental measurements and the effect of the code on the efficiency and timing is determined. Agreement with the Fano test's theoretical value is obtained at the 0.1% level for large step-sizes and in magnetic fields as strong as 5 T. The NE2571 dose calculations achieve agreement with the experiment within 0.5% up to 1 T beyond which deviations up to 1.2% are observed. Uniform air gaps of 0.5 and 1 mm and a misalignment of the incoming photon beam with the magnetic field are found to produce variations in the normalized dose on the order of 1%. These findings necessitate a clear definition of all experimental conditions to allow for accurate Monte Carlo simulations. It is found that ion chamber simulation times are increased by only 38%, and a 10 × 10 × 6 cm(3) water phantom with (3 mm)(3) voxels experiences a 48% increase in simulation time as compared to the default EGSnrc with no magnetic field. The incorporation of the effect of the magnetic fields in EGSnrc provides the capability to calculate high accuracy ion chamber and phantom doses for the use in MRI-radiation systems. Further, the effect of apparently insignificant experimental details is found to be accentuated by the presence of the magnetic field.

Near-field effect in the infrared range through periodic Germanium subwavelength arrays.

PubMed

Dong, Wei; Hirohata, Toru; Nakajima, Kazutoshi; Wang, Xiaoping

2013-11-04

Using finite-difference-time-domain simulation, we have studied the near-field effect of Germanium (Ge) subwavelength arrays designed in-plane with a normal incidence. Spectra of vertical electric field component normal to the surface show pronounced resonance peaks in an infrared range, which can be applied in a quantum well infrared photodetector. Unlike the near-field optics in metallic systems that are commonly related to surface plasmons, the intense vertical field along the surface of the Ge film can be interpreted as a combination of diffraction and waveguide theory. The existence of the enhanced field is confirmed by measuring the Fourier transform infrared spectra of fabricated samples. The positions of the resonant peaks obtained in experiment are in good agreement with our simulations.

Particle acceleration due to shocks in the interplanetary field: High time resolution data and simulation results

NASA Technical Reports Server (NTRS)

Kessel, R. L.; Armstrong, T. P.; Nuber, R.; Bandle, J.

1985-01-01

Data were examined from two experiments aboard the Explorer 50 (IMP 8) spacecraft. The Johns Hopkins University/Applied Lab Charged Particle Measurement Experiment (CPME) provides 10.12 second resolution ion and electron count rates as well as 5.5 minute or longer averages of the same, with data sampled in the ecliptic plane. The high time resolution of the data allows for an explicit, point by point, merging of the magnetic field and particle data and thus a close examination of the pre- and post-shock conditions and particle fluxes associated with large angle oblique shocks in the interplanetary field. A computer simulation has been developed wherein sample particle trajectories, taken from observed fluxes, are allowed to interact with a planar shock either forward or backward in time. One event, the 1974 Day 312 shock, is examined in detail.

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

PubMed

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

2017-02-01

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

A VAS-numerical model impact study using the Gal-Chen variational approach. [Visible Infrared Spin-Scan Radiometer Atmospheric Sounder (VAS)

NASA Technical Reports Server (NTRS)

Aune, Robert M.; Uccellini, Louis W.; Peterson, Ralph A.; Tuccillo, James J.

1987-01-01

Numerical experiments to assess the impact of incorporating temperature data from the VISSR Atmospheric Sounder (VAS) using the assimilation technique developed by Gal-Chen (1986) modified for use in the Mesoscale Atmospheric Simulation System (MASS) model were conducted. The scheme is designed to utilize the high temporal and horizontal resolution of satellite retrievals while maintaining the fine vertical structure generated by the model. This is accomplished by adjusting the model lapse rates to reflect thicknesses retrieved from VAS and applying a three-dimensional variational that preserves the distribution of the geopotential fields in the model. A nudging technique whereby the model temperature fields are gradually adjusted toward the updated temperature fields during model integration is also tested. An adiabatic version of MASS is used in all experiments to better isolate mass-momentum imbalances. The method has a sustained impact over an 18 hr model simulation.

Why does carbon increase in highly weathered soil under no-till upon lime and gypsum use?

PubMed

Inagaki, Thiago Massao; de Moraes Sá, João Carlos; Caires, Eduardo Fávero; Gonçalves, Daniel Ruiz Potma

2017-12-01

Field experiments have been used to explain how soil organic carbon (SOC) dynamics is affected by lime and gypsum applications, however, how SOC storage occurs is still debatable. We hypothesized that although many studies conclude that Ca-based soil amendments such as lime and gypsum may lead to SOC depletion due to the enhancement of microbial activity, the same does not occur under conservation agriculture conditions. Thus, the objective of this study was to elucidate the effects of lime and gypsum applications on soil microbial activity and SOC stocks in a no-till field and in a laboratory incubation study simulating no-till conditions. The field experiment was established in 1998 in a clayey Oxisol in southern Brazil following a completely randomized blocks design with a split-plot arrangement and three replications. Lime and gypsum were surface applied in 1998 and reapplied in 2013. Undisturbed soil samples were collected before the treatments reapplications, and one year after. The incubation experiment was carried out during 16months using these samples adding crop residues on the soil surface to simulate no-till field conditions. Lime and gypsum applications significantly increased the labile SOC stocks, microbial activity and soil fertility attributes in both field and laboratory experiments. Although the microbial activity was increased, no depletion of SOC stocks was observed in both experiments. Positive correlations were observed between microbial activity increase and SOC gains. Labile SOC and Ca 2+ content increase leads to forming complex with mineral soil fractions. Gypsum applications performed a higher influence on labile SOC pools in the field than in the laboratory experiment, which may be related to the presence of active root system in the soil profile. We conclude that incubation experiments using lime and gypsum in undisturbed samples confirm that soil microbial activity increase does not deplete SOC stocks under conservation agriculture. Copyright © 2017 Elsevier B.V. All rights reserved.

Simulation of magnetic particles in microfluidic channels

NASA Astrophysics Data System (ADS)

Gusenbauer, Markus; Schrefl, Thomas

2018-01-01

In the field of biomedicine the applications of magnetic beads have increased immensely in the last decade. Drug delivery, magnetic resonance imaging, bioseparation or hyperthermia are only a small excerpt of their usage. Starting from microscaled particles the research is focusing more and more on nanoscaled particles. We are investigating and validating a method for simulating magnetic beads in a microfluidic flow which will help to manipulate beads in a controlled and reproducible manner. We are using the soft-matter simulation package ESPResSo to simulate magnetic particle dynamics in a lattice Boltzmann flow and applied external magnetic fields. Laminar as well as turbulent flow conditions in microfluidic systems can be analyzed while particles tend to agglomerate due to magnetic interactions. The proposed simulation methods are validated with experiments from literature.

Accurate calculation of mutational effects on the thermodynamics of inhibitor binding to p38α MAP kinase: a combined computational and experimental study.

PubMed

Zhu, Shun; Travis, Sue M; Elcock, Adrian H

2013-07-09

A major current challenge for drug design efforts focused on protein kinases is the development of drug resistance caused by spontaneous mutations in the kinase catalytic domain. The ubiquity of this problem means that it would be advantageous to develop fast, effective computational methods that could be used to determine the effects of potential resistance-causing mutations before they arise in a clinical setting. With this long-term goal in mind, we have conducted a combined experimental and computational study of the thermodynamic effects of active-site mutations on a well-characterized and high-affinity interaction between a protein kinase and a small-molecule inhibitor. Specifically, we developed a fluorescence-based assay to measure the binding free energy of the small-molecule inhibitor, SB203580, to the p38α MAP kinase and used it measure the inhibitor's affinity for five different kinase mutants involving two residues (Val38 and Ala51) that contact the inhibitor in the crystal structure of the inhibitor-kinase complex. We then conducted long, explicit-solvent thermodynamic integration (TI) simulations in an attempt to reproduce the experimental relative binding affinities of the inhibitor for the five mutants; in total, a combined simulation time of 18.5 μs was obtained. Two widely used force fields - OPLS-AA/L and Amber ff99SB-ILDN - were tested in the TI simulations. Both force fields produced excellent agreement with experiment for three of the five mutants; simulations performed with the OPLS-AA/L force field, however, produced qualitatively incorrect results for the constructs that contained an A51V mutation. Interestingly, the discrepancies with the OPLS-AA/L force field could be rectified by the imposition of position restraints on the atoms of the protein backbone and the inhibitor without destroying the agreement for other mutations; the ability to reproduce experiment depended, however, upon the strength of the restraints' force constant. Imposition of position restraints in corresponding simulations that used the Amber ff99SB-ILDN force field had little effect on their ability to match experiment. Overall, the study shows that both force fields can work well for predicting the effects of active-site mutations on small molecule binding affinities and demonstrates how a direct combination of experiment and computation can be a powerful strategy for developing an understanding of protein-inhibitor interactions.

Numerical investigation and Uncertainty Quantification of the Impact of the geological and geomechanical properties on the seismo-acoustic responses of underground chemical explosions

NASA Astrophysics Data System (ADS)

Ezzedine, S. M.; Pitarka, A.; Vorobiev, O.; Glenn, L.; Antoun, T.

2017-12-01

We have performed three-dimensional high resolution simulations of underground chemical explosions conducted recently in jointed rock outcrop as part of the Source Physics Experiments (SPE) being conducted at the Nevada National Security Site (NNSS). The main goal of the current study is to investigate the effects of the structural and geomechanical properties on the spall phenomena due to underground chemical explosions and its subsequent effect on the seismo-acoustic signature at far distances. Two parametric studies have been undertaken to assess the impact of different 1) conceptual geological models including a single layer and two layers model, with and without joints and with and without varying geomechanical properties, and 2) depth of bursts of the chemical explosions and explosion yields. Through these investigations we have explored not only the near-field response of the chemical explosions but also the far-field responses of the seismic and the acoustic signatures. The near-field simulations were conducted using the Eulerian and Lagrangian codes, GEODYN and GEODYN -L, respectively, while the far-field seismic simulations were conducted using the elastic wave propagation code, WPP, and the acoustic response using the Kirchhoff-Helmholtz-Rayleigh time-dependent approximation code, KHR. Though a series of simulations we have recorded the velocity field histories a) at the ground surface on an acoustic-source-patch for the acoustic simulations, and 2) on a seismic-source-box for the seismic simulations. We first analyzed the SPE3 experimental data and simulated results, then simulated SPE4-prime, SPE5, and SPE6 to anticipate their seismo-acoustic responses given conditions of uncertainties. SPE experiments were conducted in a granitic formation; we have extended the parametric study to include other geological settings such dolomite and alluvial formations. These parametric studies enabled us 1) investigating the geotechnical and geophysical key parameters that impact the seismo-acoustic responses of underground chemical explosions and 2) deciphering and ranking through a global sensitivity analysis the most important key parameters to be characterized on site to minimize uncertainties in prediction and discrimination.

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

Modeling of the charge-state separation at ITEP experimental facility for material science based on a Bernas ion source.

PubMed

Barminova, H Y; Saratovskyh, M S

2016-02-01

The experiment automation system is supposed to be developed for experimental facility for material science at ITEP, based on a Bernas ion source. The program CAMFT is assumed to be involved into the program of the experiment automation. CAMFT is developed to simulate the intense charged particle bunch motion in the external magnetic fields with arbitrary geometry by means of the accurate solution of the particle motion equation. Program allows the consideration of the bunch intensity up to 10(10) ppb. Preliminary calculations are performed at ITEP supercomputer. The results of the simulation of the beam pre-acceleration and following turn in magnetic field are presented for different initial conditions.

Modeling of the charge-state separation at ITEP experimental facility for material science based on a Bernas ion source

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

Barminova, H. Y., E-mail: barminova@bk.ru; Saratovskyh, M. S.

2016-02-15

The experiment automation system is supposed to be developed for experimental facility for material science at ITEP, based on a Bernas ion source. The program CAMFT is assumed to be involved into the program of the experiment automation. CAMFT is developed to simulate the intense charged particle bunch motion in the external magnetic fields with arbitrary geometry by means of the accurate solution of the particle motion equation. Program allows the consideration of the bunch intensity up to 10{sup 10} ppb. Preliminary calculations are performed at ITEP supercomputer. The results of the simulation of the beam pre-acceleration and following turnmore » in magnetic field are presented for different initial conditions.« less

Localization of the magnetic field in a plasma flow in laboratory simulations of astrophysical jets at the KPF-4-PHOENIX installation

NASA Astrophysics Data System (ADS)

Mitrofanov, K. N.; Anan'ev, S. S.; Voitenko, D. A.; Krauz, V. I.; Astapenko, G. I.; Markoliya, A. I.; Myalton, V. V.

2017-09-01

The results of experiments aimed at investigating axial plasma flows forming during the compression of a current-plasma sheath are presented. These experiments were carried out at the KPF-4-PHOENIX plasma-focus installation, as part of a program of laboratory simulations of astrophysical jets. The plasma flows were generated in a discharge when the chamber was filled with the working gas (argon) at initial pressures of 0.5-2 Torr. Experimental data obtained using a magnetic probe and optical diagnostics are compared. The data obtained can be used to determine the location of trapped magnetic field relative to regions of intense optical glow in the plasma flow.

Kinetic dissolution of carbonates and Mn oxides in acidic water: Measurement of in situ field rates and reactive transport modeling

USGS Publications Warehouse

Brown, J.G.; Glynn, P.D.

2003-01-01

The kinetics of carbonate and Mn oxide dissolution under acidic conditions were examined through the in situ exposure of pure phase samples to acidic ground water in Pinal Creek Basin, Arizona. The average long-term calculated in situ dissolution rates for calcite and dolomite were 1.65??10-7 and 3.64??10-10 mmol/(cm2 s), respectively, which were about 3 orders of magnitude slower than rates derived in laboratory experiments by other investigators. Application of both in situ and lab-derived calcite and dolomite dissolution rates to equilibrium reactive transport simulations of a column experiment did not improve the fit to measured outflow chemistry: at the spatial and temporal scales of the column experiment, the use of an equilibrium model adequately simulated carbonate dissolution in the column. Pyrolusite (MnO2) exposed to acidic ground water for 595 days increased slightly in weight despite thermodynamic conditions that favored dissolution. This result might be related to a recent finding by another investigator that the reductive dissolution of pyrolusite is accompanied by the precipitation of a mixed Mn-Fe oxide species. In PHREEQC reactive transport simulations, the incorporation of Mn kinetics improved the fit between observed and simulated behavior at the column and field scales, although the column-fitted rate for Mn-oxide dissolution was about 4 orders of magnitude greater than the field-fitted rate. Remaining differences between observed and simulated contaminant transport trends at the Pinal Creek site were likely related to factors other than the Mn oxide dissolution rate, such as the concentration of Fe oxide surface sites available for adsorption, the effects of competition among dissolved species for available surface sites, or reactions not included in the model.

Occupational exposure of personnel operating military radio equipment: measurements and simulation.

PubMed

Paljanos, Annamaria; Miclaus, Simona; Munteanu, Calin

2015-09-01

Technical literature provides numerous studies concerning radiofrequency exposure measurements for various radio communication devices, but there are few studies related to exposure of personnel operating military radio equipment. In order to evaluate exposure and identify cases when safety requirements are not entirely met, both measurements and simulations are needed for accurate results. Moreover, given the technical characteristics of the radio devices used in the military, personnel mainly operate in the near-field region so both measurements and simulation becomes more complex. Measurements were made in situ using a broadband personal exposimeter equipped with two isotropic probes for both electric and magnetic components of the field. The experiment was designed for three different operating frequencies of the same radio equipment, while simulations were made in FEKO software using hybrid numerical methods to solve complex electromagnetic field problems. The paper aims to discuss the comparative results of the measurements and simulation, as well as comparing them to reference levels specified in military or civilian radiofrequency exposure standards.

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.

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.

Simulations Meet Experiment to Reveal New Insights into DNA Intrinsic Mechanics

PubMed Central

Ben Imeddourene, Akli; Elbahnsi, Ahmad; Guéroult, Marc; Oguey, Christophe; Foloppe, Nicolas; Hartmann, Brigitte

2015-01-01

The accurate prediction of the structure and dynamics of DNA remains a major challenge in computational biology due to the dearth of precise experimental information on DNA free in solution and limitations in the DNA force-fields underpinning the simulations. A new generation of force-fields has been developed to better represent the sequence-dependent B-DNA intrinsic mechanics, in particular with respect to the BI ↔ BII backbone equilibrium, which is essential to understand the B-DNA properties. Here, the performance of MD simulations with the newly updated force-fields Parmbsc0εζOLI and CHARMM36 was tested against a large ensemble of recent NMR data collected on four DNA dodecamers involved in nucleosome positioning. We find impressive progress towards a coherent, realistic representation of B-DNA in solution, despite residual shortcomings. This improved representation allows new and deeper interpretation of the experimental observables, including regarding the behavior of facing phosphate groups in complementary dinucleotides, and their modulation by the sequence. It also provides the opportunity to extensively revisit and refine the coupling between backbone states and inter base pair parameters, which emerges as a common theme across all the complementary dinucleotides. In sum, the global agreement between simulations and experiment reveals new aspects of intrinsic DNA mechanics, a key component of DNA-protein recognition. PMID:26657165

Vlasov Simulation of Mixing in Antihydrogen Formation

NASA Astrophysics Data System (ADS)

So, Chukman; Fajans, Joel; Friedland, Lazar; Wurtele, Jonathan; Alpha Collaboration

2011-10-01

In the ALPHA apparatus, low temperature antiprotons (p) and positrons (e+) are prepared adjacent to each other in a nested Penning trap. To create trappable antihydrogen (H), the two species must be mixed such that some resultant H atoms have sub-Kelvin kinetic energy. A new simulation has been developed to study and optimize the autoresonant mixing, in ALPHA. The p dynamics are governed by their own self- field, the e+ plasma field, and the external fields. The e+ 's are handled quasi-statically with a Poisson-Boltzmann solver. p 's are handled by multiple time dependent 1D Vlasov-Poisson solvers, each representing a radial slice of the plasma. The 1D simulatiuons couple through the 2D Poisson equation. We neglect radial transport due to the strong solenoidal field. The advantages and disadvantages of different descretization schemes, comparisons of simulation with experiment, and techniques for optimizing mixing, will be presented.

Single-Track Melt-Pool Measurements and Microstructures in Inconel 625

NASA Astrophysics Data System (ADS)

Ghosh, Supriyo; Ma, Li; Levine, Lyle E.; Ricker, Richard E.; Stoudt, Mark R.; Heigel, Jarred C.; Guyer, Jonathan E.

2018-06-01

We use single-track laser melting experiments and simulations on Inconel 625 to estimate the dimensions and microstructure of the resulting melt pool. Our work is based on a design-of-experiments approach which uses multiple laser power and scan speed combinations. Single-track experiments generated melt pools of certain dimensions that showed reasonable agreement with our finite-element calculations. Phase-field simulations were used to predict the size and segregation of the cellular microstructure that formed along the melt-pool boundaries for the solidification conditions that changed as a function of melt-pool dimensions.

Single-Track Melt-Pool Measurements and Microstructures in Inconel 625

NASA Astrophysics Data System (ADS)

Ghosh, Supriyo; Ma, Li; Levine, Lyle E.; Ricker, Richard E.; Stoudt, Mark R.; Heigel, Jarred C.; Guyer, Jonathan E.

2018-02-01

We use single-track laser melting experiments and simulations on Inconel 625 to estimate the dimensions and microstructure of the resulting melt pool. Our work is based on a design-of-experiments approach which uses multiple laser power and scan speed combinations. Single-track experiments generated melt pools of certain dimensions that showed reasonable agreement with our finite-element calculations. Phase-field simulations were used to predict the size and segregation of the cellular microstructure that formed along the melt-pool boundaries for the solidification conditions that changed as a function of melt-pool dimensions.

Mesoscale Simulation Data for Initializing Fast-Time Wake Transport and Decay Models

NASA Technical Reports Server (NTRS)

Ahmad, Nashat N.; Proctor, Fred H.; Vanvalkenburg, Randal L.; Pruis, Mathew J.; LimonDuparcmeur, Fanny M.

2012-01-01

The fast-time wake transport and decay models require vertical profiles of crosswinds, potential temperature and the eddy dissipation rate as initial conditions. These inputs are normally obtained from various field sensors. In case of data-denied scenarios or operational use, these initial conditions can be provided by mesoscale model simulations. In this study, the vertical profiles of potential temperature from a mesoscale model were used as initial conditions for the fast-time wake models. The mesoscale model simulations were compared against available observations and the wake model predictions were compared with the Lidar measurements from three wake vortex field experiments.

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.

Engineering support activities for the Apollo 17 Surface Electrical Properties Experiment.

NASA Technical Reports Server (NTRS)

Cubley, H. D.

1972-01-01

Description of the engineering support activities which were required to ensure fulfillment of objectives specified for the Apollo 17 SEP (Surface Electrical Properties) Experiment. Attention is given to procedural steps involving verification of hardware acceptability to the astronauts, computer simulation of the experiment hardware, field trials, receiver antenna pattern measurements, and the qualification test program.

Role of hydrodynamic interactions in dynamics of semi-flexible polyelectrolytes

NASA Astrophysics Data System (ADS)

Kekre, Rahul

Experiments have shown that DNA molecules in capillary electrophoresis migrate across field lines if a pressure gradient is applied simultaneously. We suggest that this migration results from an electrically driven flow field around the polyelectrolyte, which generates additional contributions to the center-of-mass velocity if the overall polymer conformation is asymmetric. Numerical simulations and experiments have demonstrated that confined polymers migrate towards the center of the channel in response to both external forces and uniaxial flows. Yet, migration towards the walls has been observed with combinations of external force and flow. In this work, the kinetic theory for an elastic dumbbell developed by Ma and Graham [Phys. Fluids 17, 083103 (2005)] has been extended to account for the effects of an external body force. Further modifications account for counterion screening within a Debye-Huckel approximation for the specific case of applied electric field. The theory qualitatively reproduces results of both experiments for the migration of neutral polymers and polyelectrolytes. The favorable comparison supports the contention [Long et al., Phys. Rev. Lett. 76, 3858 (1996)] that the hydrodynamic interactions in polyelectrolytes decay algebraically, as 1/r 3, rather than exponentially. A coarse-grained polymer model, without explicit charges, is developed and integrated using Brownian-dynamics simulations in analogy with the kinetic theory. The novel feature of the simulations is the inclusion of hydrodynamic interactions induced by the electric field. This model quantitatively captures experimental observations [Zheng and Yeung, Anal. Chem. 75, 3675 (2003)] of DNA migration under combined electric and pressure-driven flow fields in absence of any adjusted parameters. In addition the model predicts dependence of electrophoretic velocity on the instantaneous length of the polyelectrolyte which has been verified by experiments of Lee et. al. [Electrophoresis 31, 2813 (2010)]. The model also predicts phenomenons that are yet to be verified experimentally. These include decrease in diffusivity and increase in radius of gyration of the polyelectrolyte in high electric fields due to internal dispersion. The resulting change in orientation distribution at high electric fields decreases the extent of migration. Preliminary results from microfluidic experiments are presented in this dissertation demonstrating the saturation of migration. This dissertation also includes comparison of results from lattice-Boltzmann and Brownian dynamics simulations of a linear bead-spring model of DNA for two cases; infinite dilution and confinement. We have systematically varied the parameters that may affect the accuracy of the lattice-Boltzmann simulations, including grid resolution, temperature, polymer mass, periodic boundary size and fluid viscosity. For the case of a single chain Lattice-Boltzmann results for the diffusion coefficient and Rouse mode relaxation times were within 1--2% from those obtained from Brownian-dynamics. Results from both methods are also compared for polymer migration in confined flows driven by a uniform shear or pressure gradient. Center-of-mass distribution obtained from Lattice-Boltzmann simulations agrees quantitatively with Brownian-dynamics results, contradicting previously published results. The mobility matrix for a confined polymer was derived by applying Faxen's correction to the flow-field generated by a point force bounded by two parallel plates. This formulation of the mobility matrix is symmetric and positive-definite for all physically accessible configurations of the polymer.

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.

Validating a driving simulator using surrogate safety measures.

PubMed

Yan, Xuedong; Abdel-Aty, Mohamed; Radwan, Essam; Wang, Xuesong; Chilakapati, Praveen

2008-01-01

Traffic crash statistics and previous research have shown an increased risk of traffic crashes at signalized intersections. How to diagnose safety problems and develop effective countermeasures to reduce crash rate at intersections is a key task for traffic engineers and researchers. This study aims at investigating whether the driving simulator can be used as a valid tool to assess traffic safety at signalized intersections. In support of the research objective, this simulator validity study was conducted from two perspectives, a traffic parameter (speed) and a safety parameter (crash history). A signalized intersection with as many important features (including roadway geometries, traffic control devices, intersection surroundings, and buildings) was replicated into a high-fidelity driving simulator. A driving simulator experiment with eight scenarios at the intersection were conducted to determine if the subjects' speed behavior and traffic risk patterns in the driving simulator were similar to what were found at the real intersection. The experiment results showed that speed data observed from the field and in the simulator experiment both follow normal distributions and have equal means for each intersection approach, which validated the driving simulator in absolute terms. Furthermore, this study used an innovative approach of using surrogate safety measures from the simulator to contrast with the crash analysis for the field data. The simulator experiment results indicated that compared to the right-turn lane with the low rear-end crash history record (2 crashes), subjects showed a series of more risky behaviors at the right-turn lane with the high rear-end crash history record (16 crashes), including higher deceleration rate (1.80+/-1.20 m/s(2) versus 0.80+/-0.65 m/s(2)), higher non-stop right-turn rate on red (81.67% versus 57.63%), higher right-turn speed as stop line (18.38+/-8.90 km/h versus 14.68+/-6.04 km/h), shorter following distance (30.19+/-13.43 m versus 35.58+/-13.41 m), and higher rear-end probability (9/59=0.153 versus 2/60=0.033). Therefore, the relative validity of driving simulator was well established for the traffic safety studies at signalized intersections.

Sensitivity of Boreal-Summer Circulation and Precipitation to Atmospheric Aerosols in Selected Regions: Part I Africa and India

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

Sud, Yogesh C.; Wilcox, Eric; Lau, William K.

2009-10-23

Version-4 of the Goddard Earth Observing System (GEOS-4) General Circulation Model (GCM) was employed to assess the influence of potential changes in aerosols on the regional circulation, ambient temperatures, and precipitation in four selected regions: India and Africa (current paper), as well as North and South America (companion paper). Ensemble-simulations were carried out with the GCM to assess the aerosol direct and indirect effects, hereafter ADE and AIE. Each simulation was started from the NCEP-analyzed initial conditions for May 1 and was integrated through May-June-July-August of each year: 1982-1987 to provide an ensemble set of six simulations. In the firstmore » set, called the baseline experiment (#1), climatological aerosols were prescribed. The next two experiments (#2 and #3) had two sets of simulations each: one with 2X and another with 1/2X the climatological aerosols over each of the four selected regions. In experiment#2, the anomaly regions were advectively restricted (AR), i.e., the large-scale prognostic fields outside the aerosol anomaly regions were prescribed while in experiment#3, the anomaly regions were advectively Interactive (AI) as is the case in a normal GCM integrations, but with the same aerosols anomalies as in experiment #2. Intercomparisons of circulation, diabatic heating, and precipitation difference fields showed large disparities among the AR and AI simulations, which raised serious questions about the AR assumption, commonly invoked in regional climate simulation studies. Consequently AI simulation mode was chosen for the subsequent studies. Two more experiments (#4 and #5) were performed in the AI mode in which ADE and AIE were activated one at a time. The results showed that ADE and AIE work in concert to make the joint influences larger than sum of each acting alone. Moreover, the ADE and AIE influences were vastly different for the Indian and Africa regions, which suggest an imperative need to include them rationally in climate models. We also found that the aerosol induced increase of tropical cirrus clouds would potentially offset any cirrus thinning that may occur due to global warming in response to CO2 increase.« less

Class of cooperative stochastic models: Exact and approximate solutions, simulations, and experiments using ionic self-assembly of nanoparticles.

PubMed

Mazilu, I; Mazilu, D A; Melkerson, R E; Hall-Mejia, E; Beck, G J; Nshimyumukiza, S; da Fonseca, Carlos M

2016-03-01

We present exact and approximate results for a class of cooperative sequential adsorption models using matrix theory, mean-field theory, and computer simulations. We validate our models with two customized experiments using ionically self-assembled nanoparticles on glass slides. We also address the limitations of our models and their range of applicability. The exact results obtained using matrix theory can be applied to a variety of two-state systems with cooperative effects.

Folding Free Energy Landscape of the Decapeptide Chignolin

NASA Astrophysics Data System (ADS)

Dou, Xianghua; Wang, Jihua

Chignolin is an artificially designed ten-residue (GYDPETGTWG) folded peptide, which is the smallest protein and provides a good template for protein folding. In this work, we completed four explicit water molecular dynamics simulations of Chignolin folding using GROMOS and OPLS-AA force fields from extended initial states without any experiment informations. The four-folding free energy landscapes of the peptide has been drawn. The folded state of Chignolin has been successfully predicated based on the free energy landscapes. The four independent simulations gave similar results. (i) The four free energy landscapes have common characters. They are fairly smooth, barrierless, funnel-like and downhill without intermediate state, which consists with the experiment. (ii) The different extended initial structures converge at similar folded structures with the lowest free energy under GROMOS and OPLS-AA force fields. In the GROMOS force field, the backbone RMSD of the folded structures from the NMR native structure of Chignolin is only 0.114 nm, which is a stable structure in this force field. In the OPLS-AA force field, the similar results have been obtained. In addition, the smallest RMSD structure is in better agreement with the NMR native structure but unlikely stable in the force field.

Virtual hydrology observatory: an immersive visualization of hydrology modeling

NASA Astrophysics Data System (ADS)

Su, Simon; Cruz-Neira, Carolina; Habib, Emad; Gerndt, Andreas

2009-02-01

The Virtual Hydrology Observatory will provide students with the ability to observe the integrated hydrology simulation with an instructional interface by using a desktop based or immersive virtual reality setup. It is the goal of the virtual hydrology observatory application to facilitate the introduction of field experience and observational skills into hydrology courses through innovative virtual techniques that mimic activities during actual field visits. The simulation part of the application is developed from the integrated atmospheric forecast model: Weather Research and Forecasting (WRF), and the hydrology model: Gridded Surface/Subsurface Hydrologic Analysis (GSSHA). Both the output from WRF and GSSHA models are then used to generate the final visualization components of the Virtual Hydrology Observatory. The various visualization data processing techniques provided by VTK are 2D Delaunay triangulation and data optimization. Once all the visualization components are generated, they are integrated into the simulation data using VRFlowVis and VR Juggler software toolkit. VR Juggler is used primarily to provide the Virtual Hydrology Observatory application with fully immersive and real time 3D interaction experience; while VRFlowVis provides the integration framework for the hydrologic simulation data, graphical objects and user interaction. A six-sided CAVETM like system is used to run the Virtual Hydrology Observatory to provide the students with a fully immersive experience.

Motion of dust particles in nonuniform magnetic field and applicability of smoothed particle hydrodynamics simulation

NASA Astrophysics Data System (ADS)

Saitou, Y.

2018-01-01

An SPH (Smoothed Particle Hydrodynamics) simulation code is developed to reproduce our findings on behavior of dust particles, which were obtained in our previous experiments (Phys. Plasmas, 23, 013709 (2016) and Abst. 18th Intern. Cong. Plasma Phys. (Kaohsiung, 2016)). Usually, in an SPH simulation, a smoothed particle is interpreted as a discretized fluid element. Here we regard the particles as dust particles because it is known that behavior of dust particles in complex plasmas can be described using fluid dynamics equations in many cases. Various rotation velocities that are difficult to achieve in the experiment are given to particles at boundaries in the newly developed simulation and motion of particles is investigated. Preliminary results obtained by the simulation are shown.

Emissions of PCDD and PCDF from combustion of forest fuels and sugarcane: a comparison between field measurements and simulations in a laboratory burn facility.

PubMed

Black, R R; Meyer, C P; Touati, A; Gullett, B K; Fiedler, H; Mueller, J F

2011-05-01

Release of PCDD and PCDF from biomass combustion such as forest and agricultural crop fires has been nominated as an important source for these chemicals despite minimal characterisation. Available emission factors that have been experimentally determined in laboratory and field experiments vary by several orders of magnitude from <0.5 μg TEQ (t fuel consumed)(-1) to >100 μg TEQ (t fuel consumed)(-1). The aim of this study was to evaluate the effect of experimental methods on the emission factor. A portable field sampler was used to measure PCDD/PCDF emissions from forest fires and the same fuel when burnt over a brick hearth to eliminate potential soil effects. A laboratory burn facility was used to sample emissions from the same fuels. There was very good agreement in emission factors to air (EF(Air)) for forest fuel (Duke Forest, NC) of 0.52 (range: 0.40-0.79), 0.59 (range: 0.18-1.2) and 0.75 (range: 0.27-1.2) μg TEQ(WHO2005) (t fuel consumed)(-1) for the in-field, over a brick hearth, and burn facility experiments, respectively. Similarly, experiments with sugarcane showed very good agreement with EF(Air) of 1.1 (range: 0.40-2.2), 1.5 (range: 0.84-2.2) and 1.7 (range: 0.34-4.4) μg TEQ (t fuel consumed)(-1) for in-field, over a brick hearth, open field and burn facility experiments respectively. Field sampling and laboratory simulations were in good agreement, and no significant changes in emissions of PCDD/PCDF could be attributed to fuel storage and transport to laboratory test facilities. Copyright © 2011 Elsevier Ltd. All rights reserved.

Effect of Electric Field in the Stabilized Premixed Flame on Combustion Process Emissions

NASA Astrophysics Data System (ADS)

Otto, Krickis

2017-10-01

The effect of the AC and DC electrical field on combustion processes has been investigated by various researchers. The results of these experiments do not always correlate, due to different experiment conditions and experiment equipment variations. The observed effects of the electrical field impact on the combustion process depends on the applied voltage polarity, flame speed and combustion physics. During the experiment was defined that starting from 1000 V the ionic wind takes the effect on emissions in flue gases, flame shape and combustion instabilities. Simulation combustion process in hermetically sealed chamber with excess oxygen amount 3 % in flue gases showed that the positive effect of electrical field on emissions lies in region from 30 to 400 V. In aforementioned voltage range carbon monoxide emissions were reduced by 6 % and at the same time the nitrogen oxide emissions were increased by 3.5 %.

Using Magnetic Field Gradients to Simulate Variable Gravity in Fluids and Materials Experiments

NASA Technical Reports Server (NTRS)

Ramachandran, Narayanan

2006-01-01

Fluid flow due to a gravitational field is caused by sedimentation, thermal buoyancy, or solutal buoyancy induced convection. During crystal growth, for example, these flows are undesirable and can lead to crystal imperfections. While crystallization in microgravity can approach diffusion limited growth conditions (no convection), terrestrially strong magnetic fields can be used to control fluid flow and sedimentation effects. In this work, a theory is presented on the stability of solutal convection of a magnetized fluid(weak1y paramagnetic) in the presence of a magnetic field. The requirements for stability are developed and compared to experiments performed within the bore of a superconducting magnet. The theoretical predictions are in good agreement with the experiments. Extension of the technique can also be applied to study artificial gravity requirements for long duration exploration missions. Discussion of this application with preliminary experiments and application of the technique to crystal growth will be provided.

Electron beam injection during active experiments. I - Electromagnetic wave emissions

NASA Technical Reports Server (NTRS)

Winglee, R. M.; Kellogg, P. J.

1990-01-01

The wave emissions produced in Echo 7 experiment by active injections of electron beams were investigated to determine the properties of the electromagnetic and electrostatic fields for both the field-aligned and cross-field injection in such experiments and to evaluate the sources of free energy and relative efficiencies for the generation of the VLF and HF emissions. It is shown that, for typical beam energies in active experiments, electromagnetic effects do not substantially change the bulk properties of the beam, spacecraft charging, and plasma particle acceleration. Through simulations, beam-generated whistlers; fundamental z-mode and harmonic x-mode radiation; and electrostatic electron-cyclotron, upper-hybrid, Langmuir, and lower-hybrid waves were identified. The characteristics of the observed wave spectra were found to be sensitive to both the ratio of the electron plasma frequency to the cyclotron frequency and the angle of injection relative to the magnetic field.

Study of the dynamics of poly(ethylene oxide) by combining molecular dynamic simulations and neutron scattering experiments

NASA Astrophysics Data System (ADS)

Brodeck, M.; Alvarez, F.; Arbe, A.; Juranyi, F.; Unruh, T.; Holderer, O.; Colmenero, J.; Richter, D.

2009-03-01

We performed quasielastic neutron scattering experiments and atomistic molecular dynamics simulations on a poly(ethylene oxide) (PEO) homopolymer system above the melting point. The excellent agreement found between both sets of data, together with a successful comparison with literature diffraction results, validates the condensed-phase optimized molecular potentials for atomistic simulation studies (COMPASS) force field used to produce our dynamic runs and gives support to their further analysis. This provided direct information on magnitudes which are not accessible from experiments such as the radial probability distribution functions of specific atoms at different times and their moments. The results of our simulations on the H-motions and different experiments indicate that in the high-temperature range investigated the dynamics is Rouse-like for Q-values below ≈0.6 Å-1. We then addressed the single chain dynamic structure factor with the simulations. A mode analysis, not possible directly experimentally, reveals the limits of applicability of the Rouse model to PEO. We discuss the possible origins for the observed deviations.

Study of the dynamics of poly(ethylene oxide) by combining molecular dynamic simulations and neutron scattering experiments.

PubMed

Brodeck, M; Alvarez, F; Arbe, A; Juranyi, F; Unruh, T; Holderer, O; Colmenero, J; Richter, D

2009-03-07

We performed quasielastic neutron scattering experiments and atomistic molecular dynamics simulations on a poly(ethylene oxide) (PEO) homopolymer system above the melting point. The excellent agreement found between both sets of data, together with a successful comparison with literature diffraction results, validates the condensed-phase optimized molecular potentials for atomistic simulation studies (COMPASS) force field used to produce our dynamic runs and gives support to their further analysis. This provided direct information on magnitudes which are not accessible from experiments such as the radial probability distribution functions of specific atoms at different times and their moments. The results of our simulations on the H-motions and different experiments indicate that in the high-temperature range investigated the dynamics is Rouse-like for Q-values below approximately 0.6 A(-1). We then addressed the single chain dynamic structure factor with the simulations. A mode analysis, not possible directly experimentally, reveals the limits of applicability of the Rouse model to PEO. We discuss the possible origins for the observed deviations.

Absolute dose calculations for Monte Carlo simulations of radiotherapy beams

NASA Astrophysics Data System (ADS)

Popescu, I. A.; Shaw, C. P.; Zavgorodni, S. F.; Beckham, W. A.

2005-07-01

Monte Carlo (MC) simulations have traditionally been used for single field relative comparisons with experimental data or commercial treatment planning systems (TPS). However, clinical treatment plans commonly involve more than one field. Since the contribution of each field must be accurately quantified, multiple field MC simulations are only possible by employing absolute dosimetry. Therefore, we have developed a rigorous calibration method that allows the incorporation of monitor units (MU) in MC simulations. This absolute dosimetry formalism can be easily implemented by any BEAMnrc/DOSXYZnrc user, and applies to any configuration of open and blocked fields, including intensity-modulated radiation therapy (IMRT) plans. Our approach involves the relationship between the dose scored in the monitor ionization chamber of a radiotherapy linear accelerator (linac), the number of initial particles incident on the target, and the field size. We found that for a 10 × 10 cm2 field of a 6 MV photon beam, 1 MU corresponds, in our model, to 8.129 × 1013 ± 1.0% electrons incident on the target and a total dose of 20.87 cGy ± 1.0% in the monitor chambers of the virtual linac. We present an extensive experimental verification of our MC results for open and intensity-modulated fields, including a dynamic 7-field IMRT plan simulated on the CT data sets of a cylindrical phantom and of a Rando anthropomorphic phantom, which were validated by measurements using ionization chambers and thermoluminescent dosimeters (TLD). Our simulation results are in excellent agreement with experiment, with percentage differences of less than 2%, in general, demonstrating the accuracy of our Monte Carlo absolute dose calculations.

Attosecond nanoscale near-field sampling

DOE PAGES

Forg, B.; Schotz, J.; SuBmann, F.; ...

2016-05-31

The promise of ultrafast light-field-driven electronic nanocircuits has stimulated the development of the new research field of attosecond nanophysics. An essential prerequisite for advancing this new area is the ability to characterize optical near fields from light interaction with nanostructures, with sub-cycle resolution. Here we experimentally demonstrate attosecond near-field retrieval for a tapered gold nanowire. Furthermore, by comparison of the results to those obtained from noble gas experiments and trajectory simulations, the spectral response of the nanotaper near field arising from laser excitation can be extracted.

3D Hybrid Simulations of Interactions of High-Velocity Plasmoids with Obstacles

NASA Astrophysics Data System (ADS)

Omelchenko, Y. A.; Weber, T. E.; Smith, R. J.

2015-11-01

Interactions of fast plasma streams and objects with magnetic obstacles (dipoles, mirrors, etc) lie at the core of many space and laboratory plasma phenomena ranging from magnetoshells and solar wind interactions with planetary magnetospheres to compact fusion plasmas (spheromaks and FRCs) to astrophysics-in-lab experiments. Properly modeling ion kinetic, finite-Larmor radius and Hall effects is essential for describing large-scale plasma dynamics, turbulence and heating in complex magnetic field geometries. Using an asynchronous parallel hybrid code, HYPERS, we conduct 3D hybrid (particle-in-cell ion, fluid electron) simulations of such interactions under realistic conditions that include magnetic flux coils, ion-ion collisions and the Chodura resistivity. HYPERS does not step simulation variables synchronously in time but instead performs time integration by executing asynchronous discrete events: updates of particles and fields carried out as frequently as dictated by local physical time scales. Simulations are compared with data from the MSX experiment which studies the physics of magnetized collisionless shocks through the acceleration and subsequent stagnation of FRC plasmoids against a strong magnetic mirror and flux-conserving boundary.

Useful field of view in simulated driving: Reaction times and eye movements of drivers

PubMed Central

Seya, Yasuhiro; Nakayasu, Hidetoshi; Yagi, Tadasu

2013-01-01

To examine the spatial distribution of a useful field of view (UFOV) in driving, reaction times (RTs) and eye movements were measured in simulated driving. In the experiment, a normal or mirror-reversed letter “E” was presented on driving images with different eccentricities and directions from the current gaze position. The results showed significantly slower RTs in the upper and upper left directions than in the other directions. The RTs were significantly slower in the left directions than in the right directions. These results suggest that the UFOV in driving may be asymmetrical among the meridians in the visual field. PMID:24349688

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.

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).

PSI-Center Simulations of Validation Platform Experiments

NASA Astrophysics Data System (ADS)

Nelson, B. A.; Akcay, C.; Glasser, A. H.; Hansen, C. J.; Jarboe, T. R.; Marklin, G. J.; Milroy, R. D.; Morgan, K. D.; Norgaard, P. C.; Shumlak, U.; Victor, B. S.; Sovinec, C. R.; O'Bryan, J. B.; Held, E. D.; Ji, J.-Y.; Lukin, V. S.

2013-10-01

The Plasma Science and Innovation Center (PSI-Center - http://www.psicenter.org) supports collaborating validation platform experiments with extended MHD simulations. Collaborators include the Bellan Plasma Group (Caltech), CTH (Auburn U), FRX-L (Los Alamos National Laboratory), HIT-SI (U Wash - UW), LTX (PPPL), MAST (Culham), Pegasus (U Wisc-Madison), PHD/ELF (UW/MSNW), SSX (Swarthmore College), TCSU (UW), and ZaP/ZaP-HD (UW). Modifications have been made to the NIMROD, HiFi, and PSI-Tet codes to specifically model these experiments, including mesh generation/refinement, non-local closures, appropriate boundary conditions (external fields, insulating BCs, etc.), and kinetic and neutral particle interactions. The PSI-Center is exploring application of validation metrics between experimental data and simulations results. Biorthogonal decomposition is proving to be a powerful method to compare global temporal and spatial structures for validation. Results from these simulation and validation studies, as well as an overview of the PSI-Center status will be presented.

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.

Scattering Models and Basic Experiments in the Microwave Regime

NASA Technical Reports Server (NTRS)

Fung, A. K.; Blanchard, A. J. (Principal Investigator)

1985-01-01

The objectives of research over the next three years are: (1) to develop a randomly rough surface scattering model which is applicable over the entire frequency band; (2) to develop a computer simulation method and algorithm to simulate scattering from known randomly rough surfaces, Z(x,y); (3) to design and perform laboratory experiments to study geometric and physical target parameters of an inhomogeneous layer; (4) to develop scattering models for an inhomogeneous layer which accounts for near field interaction and multiple scattering in both the coherent and the incoherent scattering components; and (5) a comparison between theoretical models and measurements or numerical simulation.

Thermocapillary-Induced Phase Separation with Coalescence

NASA Technical Reports Server (NTRS)

Davis, Robert H.

2003-01-01

Research has been undertaken on interactions of two or more deformable drops (or bubbles) in a viscous fluid and subject to a temperature, gravitational, or flow field. An asymptotic theory for nearly spherical drops shows that small deformations reduce the coalescence and phase separation rates. Boundary-integral simulations for large deformations show that bubbles experience alignment and enhanced coalescence, whereas more viscous drops may break as a result of hydrodynamic interactions. Experiments for buoyancy motion confirm these observations. Simulations of the sedimentation of many drops show clustering phenomena due to deformations, which lead to enhanced phase separation rates, and simulations of sheared emulsions show that deformations cause a reduction in the effective viscosity.

Quantum Sensors for the Generating Functional of Interacting Quantum Field Theories

NASA Astrophysics Data System (ADS)

Bermudez, A.; Aarts, G.; Müller, M.

2017-10-01

Difficult problems described in terms of interacting quantum fields evolving in real time or out of equilibrium abound in condensed-matter and high-energy physics. Addressing such problems via controlled experiments in atomic, molecular, and optical physics would be a breakthrough in the field of quantum simulations. In this work, we present a quantum-sensing protocol to measure the generating functional of an interacting quantum field theory and, with it, all the relevant information about its in- or out-of-equilibrium phenomena. Our protocol can be understood as a collective interferometric scheme based on a generalization of the notion of Schwinger sources in quantum field theories, which make it possible to probe the generating functional. We show that our scheme can be realized in crystals of trapped ions acting as analog quantum simulators of self-interacting scalar quantum field theories.

Simulation of Martian EVA at the Mars Society Arctic Research Station

NASA Astrophysics Data System (ADS)

Pletser, V.; Zubrin, R.; Quinn, K.

The Mars Society has established a Mars Arctic Research Station (M.A.R.S.) on Devon Island, North of Canada, in the middle of the Haughton crater formed by the impact of a large meteorite several million years ago. The site was selected for its similarities with the surface of the Mars planet. During the Summer 2001, the MARS Flashline Research Station supported an extended international simulation campaign of human Mars exploration operations. Six rotations of six person crews spent up to ten days each at the MARS Flashline Research Station. International crews, of mixed gender and professional qualifications, conducted various tasks as a Martian crew would do and performed scientific experiments in several fields (Geophysics, Biology, Psychology). One of the goals of this simulation campaign was to assess the operational and technical feasibility of sustaining a crew in an autonomous habitat, conducting a field scientific research program. Operations were conducted as they would be during a Martian mission, including Extra-Vehicular Activities (EVA) with specially designed unpressurized suits. The second rotation crew conducted seven simulated EVAs for a total of 17 hours, including motorized EVAs with All Terrain Vehicles, to perform field scientific experiments in Biology and Geophysics. Some EVAs were highly successful. For some others, several problems were encountered related to hardware technical failures and to bad weather conditions. The paper will present the experiment programme conducted at the Mars Flashline Research Station, the problems encountered and the lessons learned from an EVA operational point of view. Suggestions to improve foreseen Martian EVA operations will be discussed.

pynoddy 1.0: an experimental platform for automated 3-D kinematic and potential field modelling

NASA Astrophysics Data System (ADS)

Florian Wellmann, J.; Thiele, Sam T.; Lindsay, Mark D.; Jessell, Mark W.

2016-03-01

We present a novel methodology for performing experiments with subsurface structural models using a set of flexible and extensible Python modules. We utilize the ability of kinematic modelling techniques to describe major deformational, tectonic, and magmatic events at low computational cost to develop experiments testing the interactions between multiple kinematic events, effect of uncertainty regarding event timing, and kinematic properties. These tests are simple to implement and perform, as they are automated within the Python scripting language, allowing the encapsulation of entire kinematic experiments within high-level class definitions and fully reproducible results. In addition, we provide a link to geophysical potential-field simulations to evaluate the effect of parameter uncertainties on maps of gravity and magnetics. We provide relevant fundamental information on kinematic modelling and our implementation, and showcase the application of our novel methods to investigate the interaction of multiple tectonic events on a pre-defined stratigraphy, the effect of changing kinematic parameters on simulated geophysical potential fields, and the distribution of uncertain areas in a full 3-D kinematic model, based on estimated uncertainties in kinematic input parameters. Additional possibilities for linking kinematic modelling to subsequent process simulations are discussed, as well as additional aspects of future research. Our modules are freely available on github, including documentation and tutorial examples, and we encourage the contribution to this project.

pynoddy 1.0: an experimental platform for automated 3-D kinematic and potential field modelling

NASA Astrophysics Data System (ADS)

Wellmann, J. F.; Thiele, S. T.; Lindsay, M. D.; Jessell, M. W.

2015-11-01

We present a novel methodology for performing experiments with subsurface structural models using a set of flexible and extensible Python modules. We utilise the ability of kinematic modelling techniques to describe major deformational, tectonic, and magmatic events at low computational cost to develop experiments testing the interactions between multiple kinematic events, effect of uncertainty regarding event timing, and kinematic properties. These tests are simple to implement and perform, as they are automated within the Python scripting language, allowing the encapsulation of entire kinematic experiments within high-level class definitions and fully reproducible results. In addition, we provide a~link to geophysical potential-field simulations to evaluate the effect of parameter uncertainties on maps of gravity and magnetics. We provide relevant fundamental information on kinematic modelling and our implementation, and showcase the application of our novel methods to investigate the interaction of multiple tectonic events on a pre-defined stratigraphy, the effect of changing kinematic parameters on simulated geophysical potential-fields, and the distribution of uncertain areas in a full 3-D kinematic model, based on estimated uncertainties in kinematic input parameters. Additional possibilities for linking kinematic modelling to subsequent process simulations are discussed, as well as additional aspects of future research. Our modules are freely available on github, including documentation and tutorial examples, and we encourage the contribution to this project.

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

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.

Reflectivity of the atmosphere-inhomogeneous surfaces system Laboratory simulation

NASA Technical Reports Server (NTRS)

Mekler, Y.; Kaufman, Y. J.; Fraser, R. S.

1984-01-01

Theoretical two- and three-dimensional solutions of the radiative transfer equation have been applied to the earth-atmosphere system. Such solutions have not been verified experimentally. A laboratory experiment simulates such a system to test the theory. The atmosphere was simulated by latex spheres suspended in water and the ground by a nonuniform surface, half white and half black. A stable radiation source provided uniform illumination over the hydrosol. The upward radiance along a line orthogonal to the boundary of the two-halves field was recorded for different amounts of the hydrosol. The simulation is a well-defined radiative transfer experiment to test radiative transfer models involving nonuniform surfaces. Good agreement is obtained between the measured and theoretical results.

Coevolution of bed surface patchiness and channel morphology: 2. Numerical experiments

USGS Publications Warehouse

Nelson, Peter A.; McDonald, Richard R.; Nelson, Jonathan M.; Dietrich, William E.

2015-01-01

In gravel bed rivers, bed topography and the bed surface grain size distribution evolve simultaneously, but it is not clear how feedbacks between topography and grain sorting affect channel morphology. In this, the second of a pair of papers examining interactions between bed topography and bed surface sorting in gravel bed rivers, we use a two-dimensional morphodynamic model to perform numerical experiments designed to explore the coevolution of both free and forced bars and bed surface patches. Model runs were carried out on a computational grid simulating a 200 m long, 2.75 m wide, straight, rectangular channel, with an initially flat bed at a slope of 0.0137. Over five numerical experiments, we varied (a) whether an obstruction was present, (b) whether the sediment was a gravel mixture or a single size, and (c) whether the bed surface grain size feeds back on the hydraulic roughness field. Experiments with channel obstructions developed a train of alternate bars that became stationary and were connected to the obstruction. Freely migrating alternate bars formed in the experiments without channel obstructions. Simulations incorporating roughness feedbacks between the bed surface and flow field produced flatter, broader, and longer bars than simulations using constant roughness or uniform sediment. Our findings suggest that patches are not simply a by-product of bed topography, but they interact with the evolving bed and influence morphologic evolution.

Developing Teaching Skills in Physical Education.

ERIC Educational Resources Information Center

Siedentop, Daryl

This textbook attempts to clarify the nature of teaching during the field experience or simulation of that experience for student teachers. The text takes a data-based approach to the development of teaching skills. It is divided into seven chapters. The first chapter, "Systematic Improvement of Teaching Skills," is a narrative…

Simplified TiO2 force fields for studies of its interaction with biomolecules

NASA Astrophysics Data System (ADS)

Luan, Binquan; Huynh, Tien; Zhou, Ruhong

2015-06-01

Engineered TiO2 nanoparticles have been routinely applied in nanotechnology, as well as in cosmetics and food industries. Despite active experimental studies intended to clarify TiO2's biological effects, including potential toxicity, the relation between experimentally inferred nanotoxicity and industry standards for safely applying nanoparticles remains somewhat ambiguous with justified concerns. Supplemental to experiments, molecular dynamics simulations have proven to be efficacious in investigating the molecular mechanism of a biological process occurring at nanoscale. In this article, to facilitate the nanotoxicity and nanomedicine research related to this important metal oxide, we provide a simplified force field, based on the original Matsui-Akaogi force field but compatible to the Lennard-Jones potentials normally used in modeling biomolecules, for simulating TiO2 nanoparticles interacting with biomolecules. The force field parameters were tested in simulating the bulk structure of TiO2, TiO2 nanoparticle-water interaction, as well as the adsorption of proteins on the TiO2 nanoparticle. We demonstrate that these simulation results are consistent with experimental data/observations. We expect that simulations will help to better understand the interaction between TiO2 and molecules.

Diffraction-Based Density Restraints for Membrane and Membrane-Peptide Molecular Dynamics Simulations

PubMed Central

Benz, Ryan W.; Nanda, Hirsh; Castro-Román, Francisco; White, Stephen H.; Tobias, Douglas J.

2006-01-01

We have recently shown that current molecular dynamics (MD) atomic force fields are not yet able to produce lipid bilayer structures that agree with experimentally-determined structures within experimental errors. Because of the many advantages offered by experimentally validated simulations, we have developed a novel restraint method for membrane MD simulations that uses experimental diffraction data. The restraints, introduced into the MD force field, act upon specified groups of atoms to restrain their mean positions and widths to values determined experimentally. The method was first tested using a simple liquid argon system, and then applied to a neat dioleoylphosphatidylcholine (DOPC) bilayer at 66% relative humidity and to the same bilayer containing the peptide melittin. Application of experiment-based restraints to the transbilayer double-bond and water distributions of neat DOPC bilayers led to distributions that agreed with the experimental values. Based upon the experimental structure, the restraints improved the simulated structure in some regions while introducing larger differences in others, as might be expected from imperfect force fields. For the DOPC-melittin system, the experimental transbilayer distribution of melittin was used as a restraint. The addition of the peptide caused perturbations of the simulated bilayer structure, but which were larger than observed experimentally. The melittin distribution of the simulation could be fit accurately to a Gaussian with parameters close to the observed ones, indicating that the restraints can be used to produce an ensemble of membrane-bound peptide conformations that are consistent with experiments. Such ensembles pave the way for understanding peptide-bilayer interactions at the atomic level. PMID:16950837

Multipolar Ewald Methods, 2: Applications Using a Quantum Mechanical Force Field

PubMed Central

2015-01-01

A fully quantum mechanical force field (QMFF) based on a modified “divide-and-conquer” (mDC) framework is applied to a series of molecular simulation applications, using a generalized Particle Mesh Ewald method extended to multipolar charge densities. Simulation results are presented for three example applications: liquid water, p-nitrophenylphosphate reactivity in solution, and crystalline N,N-dimethylglycine. Simulations of liquid water using a parametrized mDC model are compared to TIP3P and TIP4P/Ew water models and experiment. The mDC model is shown to be superior for cluster binding energies and generally comparable for bulk properties. Examination of the dissociative pathway for dephosphorylation of p-nitrophenylphosphate shows that the mDC method evaluated with the DFTB3/3OB and DFTB3/OPhyd semiempirical models bracket the experimental barrier, whereas DFTB2 and AM1/d-PhoT QM/MM simulations exhibit deficiencies in the barriers, the latter for which is related, in part, to the anomalous underestimation of the p-nitrophenylate leaving group pKa. Simulations of crystalline N,N-dimethylglycine are performed and the overall structure and atomic fluctuations are compared with the experiment and the general AMBER force field (GAFF). The QMFF, which was not parametrized for this application, was shown to be in better agreement with crystallographic data than GAFF. Our simulations highlight some of the application areas that may benefit from using new QMFFs, and they demonstrate progress toward the development of accurate QMFFs using the recently developed mDC framework. PMID:25691830

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.

All-atom Simulation of Amyloid Aggregates

NASA Astrophysics Data System (ADS)

Berhanu, Workalemahu M.; Alred, Erik J.; Bernhardt, Nathan A.; Hansmann, Ulrich H. E.

Molecular simulations are now commonly used to complement experiments in the investigation of amyloid formation and their role in human diseases. While various simulations based on enhanced sampling techniques are used in amyloid formation simulations, this article will focus on those using standard atomistic simulations to evaluate the stability of fibril models. Such studies explore the limitations that arise from the choice of force field or polymorphism; and explore the stability of in vivo and in vitro forms of Aβ fibril aggregates, and the role of heterologous seeding as a link between different amyloid diseases.

Temperature field simulation on Ti6Al4V and Inconel718 heated by continuous infrared laser

NASA Astrophysics Data System (ADS)

Wang, Yanshen; Zhang, Zheng; Feng, Weiwei; Wang, Bo; Gai, Yuxian

2014-08-01

Laser assisted machining technology can heat and soften metals, which can be used for improving the machinability of superalloys such as Ti6Al4V and Inconel718. Researches on temperature field simulation of Ti6Al4V and Inconel718 are conducted in this paper. A thermal differential equation is established based on Fourier's law and energy conservation law. Then, a model using ABAQUS for simulating heat transfer process is brought out, which is then experimentally validated. Using the simulation model, detailed investigations on temperature field simulation are carried out in Ti6Al4V and Inconel718. According to simulation, surface temperature of the two superalloys eventually reaches their peak values, and the peak temperature of Ti6Al4V is much higher than that of Inconel718. To further investigate temperature heated by laser, laser parameters such as power, scanning velocity, laser spot radius and inclination angle are set to be variables separately for simulation. Simulation results show that laser power and laser spot radius are predominant factors in heating process compared with the influence of scanning velocity and inclination angle. Simulations in this paper provide valuable references for parameter optimization in the following laser heating experiments, which plays an important role in laser assisted machining.

Simulation of Temperature Field Distribution for Cutting the Temperated Glass by Ultraviolet Laser

NASA Astrophysics Data System (ADS)

Yang, B. J.; He, Y. C.; Dai, F.; Lin, X. C.

2017-03-01

The finite element software ANSYS was adopted to simulate the temperature field distribution for laser cutting tempered glass, and the influence of different process parameters, including laser power, glass thickness and cutting speed, on temperature field distribution was studied in detail. The results show that the laser power has a greater influence on temperature field distribution than other paremeters, and when the laser power gets to 60W, the highest temperature reaches 749°C, which is higher than the glass softening temperature. It reflects the material near the laser spot is melted and the molten slag is removed by the high-energy water beam quickly. Finally, through the water guided laser cutting tempered glass experiment the FEM theoretical analysis was verified.

Virtual Disaster Simulation: Lesson Learned from an International Collaboration That Can Be Leveraged for Disaster Education in Iran.

PubMed

Ardalan, Ali; Balikuddembe, Joseph Kimuli; Ingrassia, Pier Luigi; Carenzo, Luca; Della Corte, Francesco; Akbarisari, Ali; Djalali, Ahmadreza

2015-07-13

Disaster education needs innovative educational methods to be more effective compared to traditional approaches. This can be done by using virtual simulation method. This article presents an experience about using virtual simulation methods to teach health professional on disaster medicine in Iran. The workshop on the "Application of New Technologies in Disaster Management Simulation" was held in Tehran in January 2015. It was co-organized by the Disaster and Emergency Health Academy of Tehran University of Medical Sciences and Emergency and the Research Center in Disaster Medicine and Computer Science applied to Medicine (CRIMEDIM), Università del Piemonte Orientale. Different simulators were used by the participants, who were from the health system and other relevant fields, both inside and outside Iran. As a result of the workshop, all the concerned stakeholders are called on to support this new initiative of incorporating virtual training and exercise simulation in the field of disaster medicine, so that its professionals are endowed with field-based and practical skills in Iran and elsewhere. Virtual simulation technology is recommended to be used in education of disaster management. This requires capacity building of instructors, and provision of technologies. International collaboration can facilitate this process.

Simulating surface oil transport during the Deepwater Horizon oil spill: Experiments with the BioCast system

NASA Astrophysics Data System (ADS)

Jolliff, Jason Keith; Smith, Travis A.; Ladner, Sherwin; Arnone, Robert A.

2014-03-01

The U.S. Naval Research Laboratory (NRL) is developing nowcast/forecast software systems designed to combine satellite ocean color data streams with physical circulation models in order to produce prognostic fields of ocean surface materials. The Deepwater Horizon oil spill in the Gulf of Mexico provided a test case for the Bio-Optical Forecasting (BioCast) system to rapidly combine the latest satellite imagery of the oil slick distribution with surface circulation fields in order to produce oil slick transport scenarios and forecasts. In one such sequence of experiments, MODIS satellite true color images were combined with high-resolution ocean circulation forecasts from the Coupled Ocean-Atmosphere Mesoscale Prediction System (COAMPS®) to produce 96-h oil transport simulations. These oil forecasts predicted a major oil slick landfall at Grand Isle, Louisiana, USA that was subsequently observed. A key driver of the landfall scenario was the development of a coastal buoyancy current associated with Mississippi River Delta freshwater outflow. In another series of experiments, longer-term regional circulation model results were combined with oil slick source/sink scenarios to simulate the observed containment of surface oil within the Gulf of Mexico. Both sets of experiments underscore the importance of identifying and simulating potential hydrodynamic conduits of surface oil transport. The addition of explicit sources and sinks of surface oil concentrations provides a framework for increasingly complex oil spill modeling efforts that extend beyond horizontal trajectory analysis.

The International Heat Stress Genotype Experiment for modeling wheat response to heat: field experiments and AgMIP-Wheat multi-model simulations

USDA-ARS?s Scientific Manuscript database

The data set contains a portion of the International Heat Stress Genotype Experiment (IHSGE) data used in the AgMIP-Wheat project to analyze the uncertainty of 30 wheat crop models and quantify the impact of heat on global wheat yield productivity. It includes two spring wheat cultivars grown during...

The effect of a radial electric field on ripple-trapped ions observed by neutral particle fluxes

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

Heikkinen, J.A.; Herrmann, W.; Kurki-Suonio, T.

1997-10-01

The effect of a radial electric field on nonthermal ripple-trapped ions is investigated using toroidal Monte Carlo simulations for edge tokamak plasmas. The increase in the neutral particle flux from the ions trapped in local magnetic wells observed by the charge exchange (CX) detector at a low confinement to high confinement transition at ASDEX (Axially Symmetric Divertor Experiment). Upgrade tokamak [{ital Proceedings of the 20th European Conference on Controlled Fusion and Plasma Physics}, Lisbon (European Physical Society, Petit-Lancy, Switzerland, 1993), Vol. 17C, Part I, p. 267] is reproduced in the simulations by turning on a radial electric field near themore » plasma periphery. The poloidal and toroidal angles at which the CX detector signal is most sensitive to the radial electric field are determined. A fast response time of the signal in the range of 50{endash}100 {mu}s to the appearance of the electric field can be found in the simulations with a relatively large half-width of the negative electric field region. {copyright} {ital 1997 American Institute of Physics.}« less

Nanostructure Formation by controlled dewetting on patterned substrates: A combined theoretical, modeling and experimental study.

PubMed

Lu, Liang-Xing; Wang, Ying-Min; Srinivasan, Bharathi Madurai; Asbahi, Mohamed; Yang, Joel K W; Zhang, Yong-Wei

2016-09-01

We perform systematic two-dimensional energetic analysis to study the stability of various nanostructures formed by dewetting solid films deposited on patterned substrates. Our analytical results show that by controlling system parameters such as the substrate surface pattern, film thickness and wetting angle, a variety of equilibrium nanostructures can be obtained. Phase diagrams are presented to show the complex relations between these system parameters and various nanostructure morphologies. We further carry out both phase field simulations and dewetting experiments to validate the analytically derived phase diagrams. Good agreements between the results from our energetic analyses and those from our phase field simulations and experiments verify our analysis. Hence, the phase diagrams presented here provide guidelines for using solid-state dewetting as a tool to achieve various nanostructures.

Strongly driven electron spins using a Ku band stripline electron paramagnetic resonance resonator

NASA Astrophysics Data System (ADS)

Yap, Yung Szen; Yamamoto, Hiroshi; Tabuchi, Yutaka; Negoro, Makoto; Kagawa, Akinori; Kitagawa, Masahiro

2013-07-01

This article details our work to obtain strong excitation for electron paramagnetic resonance (EPR) experiments by improving the resonator's efficiency. The advantages and application of strong excitation are discussed. Two 17 GHz transmission-type, stripline resonators were designed, simulated and fabricated. Scattering parameter measurements were carried out and quality factor were measured to be around 160 and 85. Simulation results of the microwave's magnetic field distribution are also presented. To determine the excitation field at the sample, nutation experiments were carried out and power dependence were measured using two organic samples at room temperature. The highest recorded Rabi frequency was rated at 210 MHz with an input power of about 1 W, which corresponds to a π/2 pulse of about 1.2 ns.

MODIS airborne simulator visible and near-infrared calibration, 1992 ASTEX field experiment. Calibration version: ASTEX King 1.0

NASA Technical Reports Server (NTRS)

Arnold, G. Thomas; Fitzgerald, Michael; Grant, Patrick S.; King, Michael D.

1994-01-01

Calibration of the visible and near-infrared (near-IR) channels of the MODIS Airborne Simulator (MAS) is derived from observations of a calibrated light source. For the 1992 Atlantic Stratocumulus Transition Experiment (ASTEX) field deployment, the calibrated light source was the NASA Goddard 48-inch integrating hemisphere. Tests during the ASTEX deployment were conducted to calibrate the hemisphere and then the MAS. This report summarizes the ASTEX hemisphere calibration, and then describes how the MAS was calibrated from the hemisphere data. All MAS calibration measurements are presented and determination of the MAS calibration coefficients (raw counts to radiance conversion) is discussed. In addition, comparisons to an independent MAS calibration by Ames personnel using their 30-inch integrating sphere is discussed.

Benchmark Data Set for Wheat Growth Models: Field Experiments and AgMIP Multi-Model Simulations.

NASA Technical Reports Server (NTRS)

Asseng, S.; Ewert, F.; Martre, P.; Rosenzweig, C.; Jones, J. W.; Hatfield, J. L.; Ruane, A. C.; Boote, K. J.; Thorburn, P.J.; Rotter, R. P.

2015-01-01

The data set includes a current representative management treatment from detailed, quality-tested sentinel field experiments with wheat from four contrasting environments including Australia, The Netherlands, India and Argentina. Measurements include local daily climate data (solar radiation, maximum and minimum temperature, precipitation, surface wind, dew point temperature, relative humidity, and vapor pressure), soil characteristics, frequent growth, nitrogen in crop and soil, crop and soil water and yield components. Simulations include results from 27 wheat models and a sensitivity analysis with 26 models and 30 years (1981-2010) for each location, for elevated atmospheric CO2 and temperature changes, a heat stress sensitivity analysis at anthesis, and a sensitivity analysis with soil and crop management variations and a Global Climate Model end-century scenario.

Studying marine stratus with large eddy simulation

NASA Technical Reports Server (NTRS)

Moeng, Chin-Hoh

1990-01-01

Data sets from field experiments over the stratocumulus regime may include complications from larger scale variations, decoupled cloud layers, diurnal cycle, or entrainment instability, etc. On top of the already complicated turbulence-radiation-condensation processes within the cloud-topped boundary layer (CTBL), these complexities may sometimes make interpretation of the data sets difficult. To study these processes, a better understanding is needed of the basic processes involved in the prototype CTBL. For example, is cloud top radiative cooling the primary source of the turbulent kinetic energy (TKE) within the CTBL. Historically, laboratory measurements have played an important role in addressing the turbulence problems. The CTBL is a turbulent field which is probably impossible to generate in laboratories. Large eddy simulation (LES) is an alternative way of 'measuring' the turbulent structure under controlled environments, which allows the systematic examination of the basic physical processes involved. However, there are problems with the LES approach for the CTBL. The LES data need to be consistent with the observed data. The LES approach is discussed, and results are given which provide some insights into the simulated turbulent flow field. Problems with this approach for the CTBL and information from the FIRE experiment needed to justify the LES results are discussed.

Generation and propagation of an electromagnetic pulse in the Trigger experiment and its possible role in electron acceleration

NASA Technical Reports Server (NTRS)

Kelley, M. C.; Kintner, P. M.; Kudeki, E.; Holmgren, G.; Bostrom, R.; Fahleson, U. V.

1980-01-01

Instruments onboard the Trigger payload detected a large-amplitude, low-frequency, electric field pulse which was observed with a time delay consistent only with an electromagnetic wave. A model for this perturbation is constructed, and the associated field-aligned current is calculated as a function of altitude. This experiment may simulate the acceleration mechanism which results in the formation of auroral arcs, and possibly even other events in cosmic plasmas.

Self-Organization of Metal Nanoparticles in Light: Electrodynamics-Molecular Dynamics Simulations and Optical Binding Experiments.

PubMed

McCormack, Patrick; Han, Fei; Yan, Zijie

2018-02-01

Light-driven self-organization of metal nanoparticles (NPs) can lead to unique optical matter systems, yet simulation of such self-organization (i.e., optical binding) is a complex computational problem that increases nonlinearly with system size. Here we show that a combined electrodynamics-molecular dynamics simulation technique can simulate the trajectories and predict stable configurations of silver NPs in optical fields. The simulated dynamic equilibrium of a two-NP system matches the probability density of oscillations for two optically bound NPs obtained experimentally. The predicted stable configurations for up to eight NPs are further compared to experimental observations of silver NP clusters formed by optical binding in a Bessel beam. All configurations are confirmed to form in real systems, including pentagonal clusters with five-fold symmetry. Our combined simulations and experiments have revealed a diverse optical matter system formed by anisotropic optical binding interactions, providing a new strategy to discover artificial materials.

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

Remote detection of carbon monoxide by FTIR for simulating field detection in industrial process

NASA Astrophysics Data System (ADS)

Gao, Qiankun; Liu, Wenqing; Zhang, Yujun; Gao, Mingguang; Xu, Liang; Li, Xiangxian; Jin, Ling

2016-10-01

In order to monitor carbon monoxide in industrial production, we developed a passive gas radiation measurement system based on Fourier transform infrared spectroscopy and carried out infrared radiation measurement experiment of carbon monoxide detection in simulated industrial production environment by this system. The principle, condition, device and data processing method of the experiment are introduced in this paper. In order to solve the problem of light path jitter in the actual industrial field, we simulated the noise in the industrial environment. We combine the advantages of MATHEMATICA software in the aspects of graph processing and symbolic computation to data processing to improve the signal noise ratio and noise suppression. Based on the HITRAN database, the nonlinear least square fitting method was used to calculate the concentration of the CO spectra before and after the data processing. By comparing the calculated concentration, the data processed by MATHEMATICA is reliable and necessary in the industrial production environment.

Constraining heat-transport models by comparison to experimental data in a NIF hohlraum

NASA Astrophysics Data System (ADS)

Farmer, W. A.; Jones, O. S.; Barrios Garcia, M. A.; Koning, J. M.; Kerbel, G. D.; Strozzi, D. J.; Hinkel, D. E.; Moody, J. D.; Suter, L. J.; Liedahl, D. A.; Moore, A. S.; Landen, O. L.

2017-10-01

The accurate simulation of hohlraum plasma conditions is important for predicting the partition of energy and the symmetry of the x-ray field within a hohlraum. Electron heat transport within the hohlraum plasma is difficult to model due to the complex interaction of kinetic plasma effects, magnetic fields, laser-plasma interactions, and microturbulence. Here, we report simulation results using the radiation-hydrodynamic code, HYDRA, utilizing various physics packages (e.g., nonlocal Schurtz model, MHD, flux limiters) and compare to data from hohlraum plasma experiments which contain a Mn-Co tracer dot. In these experiments, the dot is placed in various positions in the hohlraum in order to assess the spatial variation of plasma conditions. Simulated data is compared to a variety of experimental diagnostics. Conclusions are given concerning how the experimental data does and does not constrain the physics models examined. This work was supported by the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Dynamics of Exploding Plasma Within a Magnetized Plasma

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

Dimonte, G; Dipeso, G; Hewett, D

2002-02-01

This memo describes several possible laboratory experiments on the dynamics of an exploding plasma in a background magnetized plasma. These are interesting scientifically and the results are applicable to energetic explosions in the earth's ionosphere (DOE Campaign 7 at LLNL). These proposed experiments are difficult and can only be performed in the new LAPD device at UCLA. The purpose of these experiments would be to test numerical simulations, theory and reduced models for systems performance codes. The experiments are designed to investigate the affect of the background plasma on (1) the maximum diamagnetic bubble radius given by Eq. 9; andmore » (2) the Alfven wave radiation efficiency produced by the induced current J{sub A} (Eqs. 10-12) These experiments involve measuring the bubble radius using a fast gated optical imager as in Ref [1] and the Alfven wave profile and intensity as in Ref [2] for different values of the exploding plasma energy, background plasma density and temperature, and background magnetic field. These experiments extend the previously successful experiments [2] on Alfven wave coupling. We anticipate that the proposed experiments would require 1-2 weeks of time on the LAPD. We would perform PIC simulations in support of these experiments in order to validate the codes. Once validated, the PIC simulations would then be able to be extended to realistic ionospheric conditions with various size explosions and altitudes. In addition to the Alfven wave coupling, we are interested in the magnetic containment and transport of the exploding ''debris'' plasma to see if the shorting of the radial electric field in the magnetic bubble would allow the ions to propagate further. This has important implications in an ionospheric explosion because it defines the satellite damage region. In these experiments, we would field fast gated optical cameras to obtain images of the plasma expansion, which could then be correlated with magnetic probe measurements. In this regard, it would be most helpful to have a more powerful laser more than 10J in order to increase the extent of the magnetic bubble.« less

'I didn't see that coming': simulated visual fields and driving hazard perception test performance.

PubMed

Glen, Fiona C; Smith, Nicholas D; Jones, Lee; Crabb, David P

2016-09-01

Evidence is limited regarding specific types of visual field loss associated with unsafe driving. We use novel gaze-contingent software to examine the effect of simulated visual field loss on computer-based driving hazard detection with the specific aim of testing the impact of scotomata located to the right and left of fixation. The 'hazard perception test' is a component of the UK driving licence examination, which measures speed of detecting 15 different hazards in a series of real-life driving films. We have developed a novel eye-tracking and computer set up capable of generating a realistic gaze-contingent scotoma simulation (GazeSS) overlaid on film content. Thirty drivers with healthy vision completed three versions of the hazard perception test in a repeated measures experiment. In two versions, GazeSS simulated a scotoma in the binocular field of view to the left or right of fixation. A third version was unmodified to establish baseline performance. Participants' mean baseline hazard perception test score was 51 ± 7 (out of 75). This reduced to 46 ± 9 and 46 ± 11 when completing the task with a binocular visual field defect located to the left and right of fixation, respectively. While the main effect of simulated visual field loss on performance was statistically significant (p = 0.007), there were no average differences in the experimental conditions where a scotoma was located in the binocular visual field to the right or left of fixation. Simulated visual field loss impairs driving hazard detection on a computer-based test. There was no statistically significant difference in average performance when the simulated scotoma was located to the right or left of fixation of the binocular visual field, but certain types of hazard caused more difficulties than others. © 2016 Optometry Australia.

Study on numerical simulation of asymmetric structure aluminum profile extrusion based on ALE method

NASA Astrophysics Data System (ADS)

Chen, Kun; Qu, Yuan; Ding, Siyi; Liu, Changhui; Yang, Fuyong

2018-05-01

Using the HyperXtrude module based on the Arbitrary Lagrangian-Eulerian (ALE) finite element method, the paper simulates the steady extrusion process of the asymmetric structure aluminum die successfully. A verification experiment is carried out to verify the simulation results. Having obtained and analyzed the stress-strain field, temperature field and extruded velocity of the metal, it confirms that the simulation prediction results and the experimental schemes are consistent. The scheme of the die correction and optimization are discussed at last. By adjusting the bearing length and core thickness, adopting the structure of feeder plate protection, short shunt bridge in the upper die and three-level bonding container in the lower die to control the metal flowing, the qualified aluminum profile can be obtained.

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.

Using Technology-Based Simulations to Promote Teacher Candidate Parental Collaboration and Reflective Instructional Decision Making

ERIC Educational Resources Information Center

Accardo, Amy; Xin, Joy

2017-01-01

In teacher preparation programs, teacher candidates are expected to learn parental collaboration through their required college coursework and field experiences. Due to confidentiality requirements in field placements, however, teacher candidates are typically not provided an opportunity to attend IEP or 504 plan conferences. In this study,…

Wildfire and MAMS data from STORMFEST

NASA Technical Reports Server (NTRS)

Jedlovec, Gary J.; Carlson, G. S.

1993-01-01

Early in 1992, NASA participated in an inter-agency field program called STORMFEST. The STORM-Fronts Experiment Systems Test (STORMFEST) was designed to test various systems critical to the success of STORM 1 in a very focused experiment. The field effort focused on winter storms in order to investigate the structure and evolution of fronts and associated mesoscale phenomena in the central United States. This document describes the data collected from two instruments onboard a NASA ER2 aircraft which was deployed out of Ellington Field in Houston, Texas from February 13 through March 15, 1992, in support of this experiment. The two instruments were the Wildfire (a.k.a. the moderate resolution imaging spectrometer-nadir (MODIS-N) Airborne Simulation (MAS)) and the Multispectral Atmospheric Mapping Sensor (MAMS).

Pyranometer offsets triggered by ambient meteorology: insights from laboratory and field experiments

NASA Astrophysics Data System (ADS)

Oswald, Sandro M.; Pietsch, Helga; Baumgartner, Dietmar J.; Weihs, Philipp; Rieder, Harald E.

2017-03-01

This study investigates the effects of ambient meteorology on the accuracy of radiation (R) measurements performed with pyranometers contained in various heating and ventilation systems (HV-systems). It focuses particularly on instrument offsets observed following precipitation events. To quantify pyranometer responses to precipitation, a series of controlled laboratory experiments as well as two targeted field campaigns were performed in 2016. The results indicate that precipitation (as simulated by spray tests or observed under ambient conditions) significantly affects the thermal environment of the instruments and thus their stability. Statistical analyses of laboratory experiments showed that precipitation triggers zero offsets of -4 W m-2 or more, independent of the HV-system. Similar offsets were observed in field experiments under ambient environmental conditions, indicating a clear exceedance of BSRN (Baseline Surface Radiation Network) targets following precipitation events. All pyranometers required substantial time to return to their initial signal states after the simulated precipitation events. Therefore, for BSRN-class measurements, the recommendation would be to flag the radiation measurements during a natural precipitation event and 90 min after it in nighttime conditions. Further daytime experiments show pyranometer offsets of 50 W m-2 or more in comparison to the reference system. As they show a substantially faster recovery, the recommendation would be to flag the radiation measurements within a natural precipitation event and 10 min after it in daytime conditions.

Wind erosion in semiarid landscapes: Predictive models and remote sensing methods for the influence of vegetation

NASA Technical Reports Server (NTRS)

Musick, H. Brad

1993-01-01

The objectives of this research are: to develop and test predictive relations for the quantitative influence of vegetation canopy structure on wind erosion of semiarid rangeland soils, and to develop remote sensing methods for measuring the canopy structural parameters that determine sheltering against wind erosion. The influence of canopy structure on wind erosion will be investigated by means of wind-tunnel and field experiments using structural variables identified by the wind-tunnel and field experiments using model roughness elements to simulate plant canopies. The canopy structural variables identified by the wind-tunnel and field experiments as important in determining vegetative sheltering against wind erosion will then be measured at a number of naturally vegetated field sites and compared with estimates of these variables derived from analysis of remotely sensed data.

Rainfall-induced release of microbes from manure: model development, parameter estimation, and uncertainty evaluation on small plots

USDA-ARS?s Scientific Manuscript database

A series of simulated rainfall-runoff experiments with applications of different manure types (cattle solid pats, poultry dry litter, swine slurry) were conducted across four seasons on a field containing 36 plots (0.75 × 2 m each), resulting in 144 rainfall-runoff events. Simulating time-varying re...

Advancing Virtual Patient Simulations through Design Research and Inter"PLAY": Part II--Integration and Field Test

ERIC Educational Resources Information Center

Hirumi, Atsusi; Johnson, Teresa; Reyes, Ramsamooj Javier; Lok, Benjamin; Johnsen, Kyle; Rivera-Gutierrez, Diego J.; Bogert, Kenneth; Kubovec, Stacey; Eakins, Michael; Kleinsmith, Andrea; Bellew, Michael; Cendan, Juan

2016-01-01

In Part I of this two-part series, we examined the design and development of NERVE: A virtual patient simulation created to give medical students standardized experiences in interviewing, examining, and diagnosing virtual patients with cranial nerve disorders. We illustrated key design features and discussed how design-based research studies…

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.

Magnetic Compression Experiment at General Fusion with Simulation Results

NASA Astrophysics Data System (ADS)

Dunlea, Carl; Khalzov, Ivan; Hirose, Akira; Xiao, Chijin; Fusion Team, General

2017-10-01

The magnetic compression experiment at GF was a repetitive non-destructive test to study plasma physics applicable to Magnetic Target Fusion compression. A spheromak compact torus (CT) is formed with a co-axial gun into a containment region with an hour-glass shaped inner flux conserver, and an insulating outer wall. External coil currents keep the CT off the outer wall (levitation) and then rapidly compress it inwards. The optimal external coil configuration greatly improved both the levitated CT lifetime and the rate of shots with good compressional flux conservation. As confirmed by spectrometer data, the improved levitation field profile reduced plasma impurity levels by suppressing the interaction between plasma and the insulating outer wall during the formation process. We developed an energy and toroidal flux conserving finite element axisymmetric MHD code to study CT formation and compression. The Braginskii MHD equations with anisotropic heat conduction were implemented. To simulate plasma / insulating wall interaction, we couple the vacuum field solution in the insulating region to the full MHD solution in the remainder of the domain. We see good agreement between simulation and experiment results. Partly funded by NSERC and MITACS Accelerate.

Biodegradation modelling of a dissolved gasoline plume applying independent laboratory and field parameters

NASA Astrophysics Data System (ADS)

Schirmer, Mario; Molson, John W.; Frind, Emil O.; Barker, James F.

2000-12-01

Biodegradation of organic contaminants in groundwater is a microscale process which is often observed on scales of 100s of metres or larger. Unfortunately, there are no known equivalent parameters for characterizing the biodegradation process at the macroscale as there are, for example, in the case of hydrodynamic dispersion. Zero- and first-order degradation rates estimated at the laboratory scale by model fitting generally overpredict the rate of biodegradation when applied to the field scale because limited electron acceptor availability and microbial growth are not considered. On the other hand, field-estimated zero- and first-order rates are often not suitable for predicting plume development because they may oversimplify or neglect several key field scale processes, phenomena and characteristics. This study uses the numerical model BIO3D to link the laboratory and field scales by applying laboratory-derived Monod kinetic degradation parameters to simulate a dissolved gasoline field experiment at the Canadian Forces Base (CFB) Borden. All input parameters were derived from independent laboratory and field measurements or taken from the literature a priori to the simulations. The simulated results match the experimental results reasonably well without model calibration. A sensitivity analysis on the most uncertain input parameters showed only a minor influence on the simulation results. Furthermore, it is shown that the flow field, the amount of electron acceptor (oxygen) available, and the Monod kinetic parameters have a significant influence on the simulated results. It is concluded that laboratory-derived Monod kinetic parameters can adequately describe field scale degradation, provided all controlling factors are incorporated in the field scale model. These factors include advective-dispersive transport of multiple contaminants and electron acceptors and large-scale spatial heterogeneities.

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.

Transverse slot antennas for high field MRI

PubMed Central

Lattanzi, Riccardo; Lakshmanan, Karthik; Brown, Ryan; Deniz, Cem M.; Sodickson, Daniel K.; Collins, Christopher M.

2018-01-01

Purpose Introduce a novel coil design using an electrically long transversely oriented slot in a conductive sheet. Theory and Methods Theoretical considerations, numerical simulations, and experimental measurements are presented for transverse slot antennas as compared with electric dipole antennas. Results Simulations show improved central and average transmit and receive efficiency, as well as larger coverage in the transverse plane, for a single slot as compared to a single dipole element. Experiments on a body phantom confirm the simulation results for a slot antenna relative to a dipole, demonstrating a large region of relatively high sensitivity and homogeneity. Images in a human subject also show a large imaging volume for a single slot and six slot antenna array. High central transmit efficiency was observed for slot arrays relative to dipole arrays. Conclusion Transverse slots can exhibit improved sensitivity and larger field of view compared with traditional conductive dipoles. Simulations and experiments indicate high potential for slot antennas in high field MRI. Magn Reson Med 80:1233–1242, 2018. © 2018 The Authors Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine. This is an open access article under the terms of the Creative Commons Attribution NonCommercial License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes. PMID:29388250

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.

Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom.

PubMed

Schappals, Michael; Mecklenfeld, Andreas; Kröger, Leif; Botan, Vitalie; Köster, Andreas; Stephan, Simon; García, Edder J; Rutkai, Gabor; Raabe, Gabriele; Klein, Peter; Leonhard, Kai; Glass, Colin W; Lenhard, Johannes; Vrabec, Jadran; Hasse, Hans

2017-09-12

Thermodynamic properties are often modeled by classical force fields which describe the interactions on the atomistic scale. Molecular simulations are used for retrieving thermodynamic data from such models, and many simulation techniques and computer codes are available for that purpose. In the present round robin study, the following fundamental question is addressed: Will different user groups working with different simulation codes obtain coinciding results within the statistical uncertainty of their data? A set of 24 simple simulation tasks is defined and solved by five user groups working with eight molecular simulation codes: DL_POLY, GROMACS, IMC, LAMMPS, ms2, NAMD, Tinker, and TOWHEE. Each task consists of the definition of (1) a pure fluid that is described by a force field and (2) the conditions under which that property is to be determined. The fluids are four simple alkanes: ethane, propane, n-butane, and iso-butane. All force fields consider internal degrees of freedom: OPLS, TraPPE, and a modified OPLS version with bond stretching vibrations. Density and potential energy are determined as a function of temperature and pressure on a grid which is specified such that all states are liquid. The user groups worked independently and reported their results to a central instance. The full set of results was disclosed to all user groups only at the end of the study. During the study, the central instance gave only qualitative feedback. The results reveal the challenges of carrying out molecular simulations. Several iterations were needed to eliminate gross errors. For most simulation tasks, the remaining deviations between the results of the different groups are acceptable from a practical standpoint, but they are often outside of the statistical errors of the individual simulation data. However, there are also cases where the deviations are unacceptable. This study highlights similarities between computer experiments and laboratory experiments, which are both subject not only to statistical error but also to systematic error.

The evolving energy budget of accretionary wedges

NASA Astrophysics Data System (ADS)

McBeck, Jessica; Cooke, Michele; Maillot, Bertrand; Souloumiac, Pauline

2017-04-01

The energy budget of evolving accretionary systems reveals how deformational processes partition energy as faults slip, topography uplifts, and layer-parallel shortening produces distributed off-fault deformation. The energy budget provides a quantitative framework for evaluating the energetic contribution or consumption of diverse deformation mechanisms. We investigate energy partitioning in evolving accretionary prisms by synthesizing data from physical sand accretion experiments and numerical accretion simulations. We incorporate incremental strain fields and cumulative force measurements from two suites of experiments to design numerical simulations that represent accretionary wedges with stronger and weaker detachment faults. One suite of the physical experiments includes a basal glass bead layer and the other does not. Two physical experiments within each suite implement different boundary conditions (stable base versus moving base configuration). Synthesizing observations from the differing base configurations reduces the influence of sidewall friction because the force vector produced by sidewall friction points in opposite directions depending on whether the base is fixed or moving. With the numerical simulations, we calculate the energy budget at two stages of accretion: at the maximum force preceding the development of the first thrust pair, and at the minimum force following the development of the pair. To identify the appropriate combination of material and fault properties to apply in the simulations, we systematically vary the Young's modulus and the fault static and dynamic friction coefficients in numerical accretion simulations, and identify the set of parameters that minimizes the misfit between the normal force measured on the physical backwall and the numerically simulated force. Following this derivation of the appropriate material and fault properties, we calculate the components of the work budget in the numerical simulations and in the simulated increments of the physical experiments. The work budget components of the physical experiments are determined from backwall force measurements and incremental velocity fields calculated via digital image correlation. Comparison of the energy budget preceding and following the development of the first thrust pair quantifies the tradeoff of work done in distributed deformation and work expended in frictional slip due to the development of the first backthrust and forethrust. In both the numerical and physical experiments, after the pair develops internal work decreases at the expense of frictional work, which increases. Despite the increase in frictional work, the total external work of the system decreases, revealing that accretion faulting leads to gains in efficiency. Comparison of the energy budget of the accretion experiments and simulations with the strong and weak detachments indicate that when the detachment is strong, the total energy consumed in frictional sliding and internal deformation is larger than when the detachment is relatively weak.

Simulations of initial MHD experiments on the Madison Dynamo Experiment

NASA Astrophysics Data System (ADS)

O'Connell, R.; Forest, C. B.; Goldwin, J. M.; Kendrick, R. D.; Canary, H. W.; Nornberg, M. D.; Jaun, A.

1999-11-01

Initial experiments for a liquid metal MHD device have been modelled using measurements from geometrically similar water experiments. In the low B limit the water flows are the same as sodium flows. Two codes have been written to predict 1) linear stability of the system and 2) the response of the system to an externally applied vertical magnetic field, using measured velocity profiles. Predictions are made for a first set of MHD experiments, including: a) demonstration of the distortion and amplification of externally applied magnetic fields by sheared flows, b) demonstration of the β-effect by measurement of the turbulent conductivity, c) demonstration of a turbulent α effect and d) characterization of magnetic eigenmodes.

Electro-Quasistatic Simulations in Bio-Systems Engineering and Medical Engineering

NASA Astrophysics Data System (ADS)

van Rienen, U.; Flehr, J.; Schreiber, U.; Schulze, S.; Gimsa, U.; Baumann, W.; Weiss, D. G.; Gimsa, J.; Benecke, R.; Pau, H.-W.

2005-05-01

Slowly varying electromagnetic fields play a key role in various applications in bio-systems and medical engineering. Examples are the electric activity of neurons on neurochips used as biosensors, the stimulating electric fields of implanted electrodes used for deep brain stimulation in patients with Morbus Parkinson and the stimulation of the auditory nerves in deaf patients, respectively. In order to simulate the neuronal activity on a chip it is necessary to couple Maxwell's and Hodgkin-Huxley's equations. First numerical results for a neuron coupling to a single electrode are presented. They show a promising qualitative agreement with the experimentally recorded signals. Further, simulations are presented on electrodes for deep brain stimulation in animal experiments where the question of electrode ageing and energy deposition in the surrounding tissue are of major interest. As a last example, electric simulations for a simple cochlea model are presented comparing the field in the skull bones for different electrode types and stimulations in different positions.

Electro-thermo-optical simulation of vertical-cavity surface-emitting lasers

NASA Astrophysics Data System (ADS)

Smagley, Vladimir Anatolievich

Three-dimensional electro-thermal simulator based on the double-layer approximation for the active region was coupled to optical gain and optical field numerical simulators to provide a self-consistent steady-state solution of VCSEL current-voltage and current-output power characteristics. Methodology of VCSEL modeling had been established and applied to model a standard 850-nm VCSEL based on GaAs-active region and a novel intracavity-contacted 400-nm GaN-based VCSEL. Results of GaAs VCSEL simulation were in a good agreement with experiment. Correlations between current injection and radiative mode profiles have been observed. Physical sub-models of transport, optical gain and cavity optical field were developed. Carrier transport through DBRs was studied. Problem of optical fields in VCSEL cavity was treated numerically by the effective frequency method. All the sub-models were connected through spatially inhomogeneous rate equation system. It was shown that the conventional uncoupled analysis of every separate physical phenomenon would be insufficient to describe VCSEL operation.

Temperature field simulation and phantom validation of a Two-armed Spiral Antenna for microwave thermotherapy.

PubMed

Du, Yongxing; Zhang, Lingze; Sang, Lulu; Wu, Daocheng

2016-04-29

In this paper, an Archimedean planar spiral antenna for the application of thermotherapy was designed. This type of antenna was chosen for its compact structure, flexible application and wide heating area. The temperature field generated by the use of this Two-armed Spiral Antenna in a muscle-equivalent phantom was simulated and subsequently validated by experimentation. First, the specific absorption rate (SAR) of the field was calculated using the Finite Element Method (FEM) by Ansoft's High Frequency Structure Simulation (HFSS). Then, the temperature elevation in the phantom was simulated by an explicit finite difference approximation of the bioheat equation (BHE). The temperature distribution was then validated by a phantom heating experiment. The results showed that this antenna had a good heating ability and a wide heating area. A comparison between the calculation and the measurement showed a fair agreement in the temperature elevation. The validated model could be applied for the analysis of electromagnetic-temperature distribution in phantoms during the process of antenna design or thermotherapy experimentation.

Simulation of magnetic island dynamics under resonant magnetic perturbation with the TEAR code and validation of the results on T-10 tokamak data

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

Ivanov, N. V.; Kakurin, A. M.

2014-10-15

Simulation of the magnetic island evolution under Resonant Magnetic Perturbation (RMP) in rotating T-10 tokamak plasma is presented with intent of TEAR code experimental validation. In the T-10 experiment chosen for simulation, the RMP consists of a stationary error field, a magnetic field of the eddy current in the resistive vacuum vessel and magnetic field of the externally applied controlled halo current in the plasma scrape-off layer (SOL). The halo-current loop consists of a rail limiter, plasma SOL, vacuum vessel, and external part of the circuit. Effects of plasma resistivity, viscosity, and RMP are taken into account in the TEARmore » code based on the two-fluid MHD approximation. Radial distribution of the magnetic flux perturbation is calculated with account of the externally applied RMP. A good agreement is obtained between the simulation results and experimental data for the cases of preprogrammed and feedback-controlled halo current in the plasma SOL.« less

Large-eddy simulation of laminar-turbulent breakdown at high speeds with dynamic subgrid-scale modeling

NASA Technical Reports Server (NTRS)

El-Hady, Nabil M.

1993-01-01

The laminar-turbulent breakdown of a boundary-layer flow along a hollow cylinder at Mach 4.5 is investigated with large-eddy simulation. The subgrid scales are modeled dynamically, where the model coefficients are determined from the local resolved field. The behavior of the dynamic-model coefficients is investigated through both an a priori test with direct numerical simulation data for the same case and a complete large-eddy simulation. Both formulations proposed by Germano et al. and Lilly are used for the determination of unique coefficients for the dynamic model and their results are compared and assessed. The behavior and the energy cascade of the subgrid-scale field structure are investigated at various stages of the transition process. The investigations are able to duplicate a high-speed transition phenomenon observed in experiments and explained only recently by the direct numerical simulations of Pruett and Zang, which is the appearance of 'rope-like' waves. The nonlinear evolution and breakdown of the laminar boundary layer and the structure of the flow field during the transition process were also investigated.

Self-charging of identical grains in the absence of an external field.

PubMed

Yoshimatsu, R; Araújo, N A M; Wurm, G; Herrmann, H J; Shinbrot, T

2017-01-06

We investigate the electrostatic charging of an agitated bed of identical grains using simulations, mathematical modeling, and experiments. We simulate charging with a discrete-element model including electrical multipoles and find that infinitesimally small initial charges can grow exponentially rapidly. We propose a mathematical Turing model that defines conditions for exponential charging to occur and provides insights into the mechanisms involved. Finally, we confirm the predicted exponential growth in experiments using vibrated grains under microgravity, and we describe novel predicted spatiotemporal states that merit further study.

Self-charging of identical grains in the absence of an external field

NASA Astrophysics Data System (ADS)

Yoshimatsu, R.; Araújo, N. A. M.; Wurm, G.; Herrmann, H. J.; Shinbrot, T.

2017-01-01

We investigate the electrostatic charging of an agitated bed of identical grains using simulations, mathematical modeling, and experiments. We simulate charging with a discrete-element model including electrical multipoles and find that infinitesimally small initial charges can grow exponentially rapidly. We propose a mathematical Turing model that defines conditions for exponential charging to occur and provides insights into the mechanisms involved. Finally, we confirm the predicted exponential growth in experiments using vibrated grains under microgravity, and we describe novel predicted spatiotemporal states that merit further study.

Self-charging of identical grains in the absence of an external field

PubMed Central

Yoshimatsu, R.; Araújo, N. A. M.; Wurm, G.; Herrmann, H. J.; Shinbrot, T.

2017-01-01

We investigate the electrostatic charging of an agitated bed of identical grains using simulations, mathematical modeling, and experiments. We simulate charging with a discrete-element model including electrical multipoles and find that infinitesimally small initial charges can grow exponentially rapidly. We propose a mathematical Turing model that defines conditions for exponential charging to occur and provides insights into the mechanisms involved. Finally, we confirm the predicted exponential growth in experiments using vibrated grains under microgravity, and we describe novel predicted spatiotemporal states that merit further study. PMID:28059124

Understanding the Percolation Characteristics of Nonlinear Composite Dielectrics

PubMed Central

Yang, Xiao; Hu, Jun; Chen, Shuiming; He, Jinliang

2016-01-01

Nonlinear composite dielectrics can function as smart materials for stress control and field grading in all fields of electrical insulations. The percolation process is a significant issue of composite dielectrics. However, the classic percolation theory mainly deals with traditional composites in which the electrical parameters of both insulation matrix and conducting fillers are independent of the applied electric field. This paper measured the nonlinear V-I characteristics of ZnO microvaristors/silicone rubber composites with several filler concentrations around an estimated percolation threshold. For the comparison with the experiment, a new microstructural model is proposed to simulate the nonlinear conducting behavior of the composite dielectrics modified by metal oxide fillers, which is based on the Voronoi network and considers the breakdown feature of the insulation matrix for near percolated composites. Through both experiment and simulation, the interior conducting mechanism and percolation process of the nonlinear composites were presented and a specific percolation threshold was determined as 33%. This work has provided a solution to better understand the characteristics of nonlinear composite dielectrics. PMID:27476998

Understanding the Percolation Characteristics of Nonlinear Composite Dielectrics

NASA Astrophysics Data System (ADS)

Yang, Xiao; Hu, Jun; Chen, Shuiming; He, Jinliang

2016-08-01

Nonlinear composite dielectrics can function as smart materials for stress control and field grading in all fields of electrical insulations. The percolation process is a significant issue of composite dielectrics. However, the classic percolation theory mainly deals with traditional composites in which the electrical parameters of both insulation matrix and conducting fillers are independent of the applied electric field. This paper measured the nonlinear V-I characteristics of ZnO microvaristors/silicone rubber composites with several filler concentrations around an estimated percolation threshold. For the comparison with the experiment, a new microstructural model is proposed to simulate the nonlinear conducting behavior of the composite dielectrics modified by metal oxide fillers, which is based on the Voronoi network and considers the breakdown feature of the insulation matrix for near percolated composites. Through both experiment and simulation, the interior conducting mechanism and percolation process of the nonlinear composites were presented and a specific percolation threshold was determined as 33%. This work has provided a solution to better understand the characteristics of nonlinear composite dielectrics.

Advanced ballistic range technology

NASA Technical Reports Server (NTRS)

Yates, Leslie A.

1993-01-01

Optical images, such as experimental interferograms, schlieren, and shadowgraphs, are routinely used to identify and locate features in experimental flow fields and for validating computational fluid dynamics (CFD) codes. Interferograms can also be used for comparing experimental and computed integrated densities. By constructing these optical images from flow-field simulations, one-to-one comparisons of computation and experiment are possible. During the period from February 1, 1992, to November 30, 1992, work has continued on the development of CISS (Constructed Interferograms, Schlieren, and Shadowgraphs), a code that constructs images from ideal- and real-gas flow-field simulations. In addition, research connected with the automated film-reading system and the proposed reactivation of the radiation facility has continued.

Attosecond nanoscale near-field sampling

PubMed Central

Förg, B.; Schötz, J.; Süßmann, F.; Förster, M.; Krüger, M.; Ahn, B.; Okell, W. A.; Wintersperger, K.; Zherebtsov, S.; Guggenmos, A.; Pervak, V.; Kessel, A.; Trushin, S. A.; Azzeer, A. M.; Stockman, M. I.; Kim, D.; Krausz, F.; Hommelhoff, P.; Kling, M. F.

2016-01-01

The promise of ultrafast light-field-driven electronic nanocircuits has stimulated the development of the new research field of attosecond nanophysics. An essential prerequisite for advancing this new area is the ability to characterize optical near fields from light interaction with nanostructures, with sub-cycle resolution. Here we experimentally demonstrate attosecond near-field retrieval for a tapered gold nanowire. By comparison of the results to those obtained from noble gas experiments and trajectory simulations, the spectral response of the nanotaper near field arising from laser excitation can be extracted. PMID:27241851

Ion trajectory simulations of axial ac dipolar excitation in the Orbitrap

NASA Astrophysics Data System (ADS)

Wu, Guangxiang; Noll, Robert J.; Plass, Wolfgang R.; Hu, Qizhi; Perry, Richard H.; Cooks, R. Graham

2006-07-01

The newly developed version of the multi-particle ion trajectory simulation program, ITSIM 6.0, was applied to simulate ac dipolar excitation of ion axial motion in the Orbitrap. The Orbitrap inner and outer electrodes were generated in AutoCAD, a 3D drawing program. The electrode geometry was imported into the 3D field solver COMSOL; the field array was then imported into ITSIM 6.0. Ion trajectories were calculated by solving Newton's equations using Runge-Kutta integration methods. Compared to the analytical solution, calculated radial components of the field at the device's "equator" (z = 0) were within 0.5% and calculated axial components midway between the inner and outer electrodes were within 0.2%. The experiments simulated here involved the control of axial motion of ions in the Orbitrap by the application of dipolar ac signals to the split outer electrodes, as described in a recently published paper from this laboratory [Hu et al., J. Phys. Chem. A 110 (2006) 2682]. In these experiments, ac signal was applied at the axial resonant frequency of a selected ion. Axial excitation and eventual ion ejection resulted when the ac was in phase with, i.e., had 0° phase relative to ion axial motion. De-excitation of ion axial motion until the ions were at z = 0 and at rest with respect to the z-axis resulted if the applied ac was out of phase with ion motion, with re-excitation of ion axial motion occurring if the dipolar ac was continued beyond this point. Both de-excitation and re-excitation could be achieved mass-selectively and depended on the amplitude and duration (number of cycles) of the applied ac. The effects of ac amplitude, frequency, phase relative to ion motion, and bandwidth of applied waveform were simulated. All simulation results were compared directly with the experimental data and good agreement was observed. Such ion motion control experiments and their simulation provide the possibility to improve Orbitrap performance and to develop tandem mass spectrometry (MS/MS) capabilities inside the Orbitrap.

Comparing field investigations with laboratory models to predict landfill leachate emissions

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

Fellner, Johann; Doeberl, Gernot; Allgaier, Gerhard

2009-06-15

Investigations into laboratory reactors and landfills are used for simulating and predicting emissions from municipal solid waste landfills. We examined water flow and solute transport through the same waste body for different volumetric scales (laboratory experiment: 0.08 m{sup 3}, landfill: 80,000 m{sup 3}), and assessed the differences in water flow and leachate emissions of chloride, total organic carbon and Kjeldahl nitrogen. The results indicate that, due to preferential pathways, the flow of water in field-scale landfills is less uniform than in laboratory reactors. Based on tracer experiments, it can be discerned that in laboratory-scale experiments around 40% of pore watermore » participates in advective solute transport, whereas this fraction amounts to less than 0.2% in the investigated full-scale landfill. Consequences of the difference in water flow and moisture distribution are: (1) leachate emissions from full-scale landfills decrease faster than predicted by laboratory experiments, and (2) the stock of materials remaining in the landfill body, and thus the long-term emission potential, is likely to be underestimated by laboratory landfill simulations.« less

Simulation studies for the evaluation of health information technologies: experiences and results.

PubMed

Ammenwerth, Elske; Hackl, Werner O; Binzer, Kristine; Christoffersen, Tue E H; Jensen, Sanne; Lawton, Kitta; Skjoet, Peter; Nohr, Christian

It is essential for new health information technologies (IT) to undergo rigorous evaluations to ensure they are effective and safe for use in real-world situations. However, evaluation of new health IT is challenging, as field studies are often not feasible when the technology being evaluated is not sufficiently mature. Laboratory-based evaluations have also been shown to have insufficient external validity. Simulation studies seem to be a way to bridge this gap. The aim of this study was to evaluate, using a simulation methodology, the impact of a new prototype of an electronic medication management system on the appropriateness of prescriptions and drug-related activities, including laboratory test ordering or medication changes. This article presents the results of a controlled simulation study with 50 simulation runs, including ten doctors and five simulation patients, and discusses experiences and lessons learnt while conducting the study. Although the new electronic medication management system showed tendencies to improve medication safety when compared with the standard system, this tendency was not significant. Altogether, five distinct situations were identified where the new medication management system did help to improve medication safety. This simulation study provided a good compromise between internal validity and external validity. However, several challenges need to be addressed when undertaking simulation evaluations including: preparation of adequate test cases; training of participants before using unfamiliar applications; consideration of time, effort and costs of conducting the simulation; technical maturity of the evaluated system; and allowing adequate preparation of simulation scenarios and simulation setting. Simulation studies are an interesting but time-consuming approach, which can be used to evaluate newly developed health IT systems, particularly those systems that are not yet sufficiently mature to undergo field evaluation studies.

Virtual and Experimental Visualization of Flows in Packed Beds of Spheres Simulating Porous Media Flows

NASA Technical Reports Server (NTRS)

Hendricks, R. C.; Athavale, M. M.; Lattime, S. B.; Braun, M. J.

1998-01-01

A videotape presentation of flow in a packed bed of spheres is provided. The flow experiment consisted of three principal elements: (1) an oil tunnel 76.2 mm by 76.2 mm in cross section, (2) a packed bed of spheres in regular and irregular arrays, and (3) a flow characterization methodology, either (a) full flow field tracking (FFFT) or (b) computational fluid dynamic (CFD) simulation. The refraction indices of the oil and the test array of spheres were closely matched, and the flow was seeded with aluminum oxide particles. Planar laser light provided a two-dimensional projection of the flow field, and a traverse simulated a three-dimensional image of the entire flow field. Light focusing and reflection rendered the spheres black, permitting visualization of the planar circular interfaces in both the axial and transverse directions. Flows were observed near the wall-sphere interface and within the set of spheres. The CFD model required that a representative section of a packed bed be formed and gridded, enclosing and cutting six spheres so that symmetry conditions could be imposed at all cross-boundaries. Simulations had to be made with the flow direction at right angles to that used in the experiments, however, to take advantage of flow symmetry. Careful attention to detail was required for proper gridding. The flow field was three-dimensional and complex to describe, yet the most prominent finding was flow threads, as computed in the representative 'cube' of spheres with face symmetry and conclusively demonstrated experimentally herein. Random packing and bed voids tended to disrupt the laminar flow, creating vortices.

Ion trap simulation program, ITSIM: A powerful heuristic and predictive tool in ion trap mass spectrometry

NASA Astrophysics Data System (ADS)

Bui, Huy Anh

The multi-particle simulation program, ITSIM version 4.0, takes advantage of the enhanced performance of the Windows 95 and NT operating systems in areas such as memory management, user friendliness, flexibility of graphics and speed, to investigate the motion of ions in the quadrupole ion trap. The objective of this program is to use computer simulations based on mathematical models to improve the performance of the ion trap mass spectrometer. The simulation program can provide assistance in understanding fundamental aspects of ion trap mass spectrometry, precede and help to direct the course of experiments, as well as having didactic value in elucidating and allowing visualization of ion behavior under different experimental conditions. The program uses the improved Euler method to calculate ion trajectories as numerical solutions to the Mathieu differential equation. This Windows version can simultaneously simulate the trajectories of ions with a virtually unlimited number of different mass-to-charge ratios and hence allows realistic mass spectra, ion kinetic energy distributions and other experimentally measurable properties to be simulated. The large number of simulated ions allows examination of (i) the offsetting effects of mutual ion repulsion and collisional cooling in an ion trap and (ii) the effects of higher order fields. Field inhomogeneities arising from exit holes, electrode misalignment, imperfect electrode surfaces or new trap geometries can be simulated with the program. The simulated data are used to obtain mass spectra from mass-selective instability scans as well as by Fourier transformation of image currents induced by coherently moving ion clouds. Complete instruments, from an ion source through the ion trap mass analyzer to a detector, can now be simulated. Applications of the simulation program are presented and discussed. Comparisons are made between the simulations and experimental data. Fourier transformed experiments and a novel six-electrode ion trap mass spectrometer illustrate cases in which simulations precede new experiments. Broadband non-destructive ion detection based on induced image current measurements are described in the case of a quadrupole ion trap having cylindrical geometry.

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

An Overview of Atmospheric Composition OSSE Activities at NASA's Global Modeling and Assimilation Office

NASA Technical Reports Server (NTRS)

daSilva, Arlinda

2012-01-01

A model-based Observing System Simulation Experiment (OSSE) is a framework for numerical experimentation in which observables are simulated from fields generated by an earth system model, including a parameterized description of observational error characteristics. Simulated observations can be used for sampling studies, quantifying errors in analysis or retrieval algorithms, and ultimately being a planning tool for designing new observing missions. While this framework has traditionally been used to assess the impact of observations on numerical weather prediction, it has a much broader applicability, in particular to aerosols and chemical constituents. In this talk we will give a general overview of Observing System Simulation Experiments (OSSE) activities at NASA's Global Modeling and Assimilation Office, with focus on its emerging atmospheric composition component.

Osmotic Pressure Simulations of Amino Acids and Peptides Highlight Potential Routes to Protein Force Field Parameterization

PubMed Central

Miller, Mark S.; Lay, Wesley K.

2016-01-01

Recent molecular dynamics (MD) simulations of proteins have suggested that common force fields overestimate the strength of amino acid interactions in aqueous solution. In an attempt to determine the causes of these effects, we have measured the osmotic coefficients of a number of amino acids using the AMBER ff99SB-ILDN force field with two popular water models, and compared the results with available experimental data. With TIP4P-Ew water, interactions between aliphatic residues agree well with experiment, but interactions of the polar residues serine and threonine are found to be excessively attractive. For all tested amino acids, the osmotic coefficients are lower when the TIP3P water model is used. Additional simulations performed on charged amino acids indicate that the osmotic coefficients are strongly dependent on the parameters assigned to the salt ions, with a reparameterization of the sodium:carboxylate interaction reported by the Aksimentiev group significantly improving description of the osmotic coefficient for glutamate. For five neutral amino acids, we also demonstrate a decrease in solute-solute attractions using the recently reported TIP4P-D water model and using the KBFF force field. Finally, we show that for four two-residue peptides improved agreement with experiment can be achieved by re-deriving the partial charges for each peptide. PMID:27052117

Experiences in teaching of modeling and simulation with emphasize on equation-based and acausal modeling techniques.

PubMed

Kulhánek, Tomáš; Ježek, Filip; Mateják, Marek; Šilar, Jan; Kofránek, Jří

2015-08-01

This work introduces experiences of teaching modeling and simulation for graduate students in the field of biomedical engineering. We emphasize the acausal and object-oriented modeling technique and we have moved from teaching block-oriented tool MATLAB Simulink to acausal and object oriented Modelica language, which can express the structure of the system rather than a process of computation. However, block-oriented approach is allowed in Modelica language too and students have tendency to express the process of computation. Usage of the exemplar acausal domains and approach allows students to understand the modeled problems much deeper. The causality of the computation is derived automatically by the simulation tool.

Field-driven mesoscale phase transition in polarized colloids in microgravity

NASA Astrophysics Data System (ADS)

Khusid, Boris; Elele, Ezinwa

2014-11-01

An unexpected phase transition in a polarized suspension was reported by Kumar, Khusid, Acrivos, PRL 95, 258301, 2005 and Agarwal, Yethiraj, PRL 102, 198301, 2009. Following the field application, particles aggregated head-to-tail into chains that bridged the interelectrode gap and then formed a cellular pattern, in which large-scale particle-free voids were enclosed by particle-rich thin walls. Surprisingly, the size of particle-free domains scales linearly with the gap thickness but is insensitive to the particle size and the field strength and frequency. Cellular structures were not observed in simulations of equilibrium in a polarized suspension (Richardi, Weis, J. Chem. Phys. 135, 124502, 2011; Almudallal, Saika-Voivod, PRE 84, 011402, 2011). Nonequilibrium simulations (Park, Saintillan, PRE 83, 041409, 2011) showed cellular-like structures but at a particle concentration much higher than in experiments. A requirement for precise matching of densities between particles and a fluid to avoid gravity effects limits terrestrial experiments to negatively polarized particles. We will present data on positively polarized non-buoyancy-matched particles and the development of experiments in the International Space Station needed to evaluate gravity contribution. Supported by NASA's Physical Science Research Program, NNX13AQ53G.

Calculation of Coherent Radiation from Ultra-short Electron Beams Using a Lienard-Wiechert Based Simulation Code

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

Flacco, A.; Fairchild, M.; Reiche, S.

2004-12-07

The coherent radiation emitted by electrons in high brightness beam-based experiments is important from the viewpoints of both radiation source development, and the understanding and diagnosing the basic physical processes important in beam manipulations at high intensity. While much theoretical work has been developed to aid in calculating aspects of this class of radiation, these methods do not often produce accurate information concerning the experimentally relevant aspects of the radiation. At UCLA, we are particularly interested in coherent synchrotron radiation and the related phenomena of coherent edge radiation, in the context of a fs-beam chicane compression experiment at the BNLmore » ATF. To analyze this and related problems, we have developed a program that acts as an extension to the Lienard-Wiechert-based 3D simulation code TREDI, termed FieldEye. This program allows the evaluation of electromagnetic fields in the time and frequency domain in an arbitrary 2D detector planar area. We discuss here the implementation of the FieldEye code, and give examples of results relevant to the case of the ATF chicane compressor experiment.« less

IShTAR ICRF antenna field characterization in vacuum and plasma by using probe diagnostic

NASA Astrophysics Data System (ADS)

Usoltceva, Mariia; Ochoukov, Roman; D'Inca, Rodolphe; Jacquot, Jonathan; Crombé, Kristel; Kostic, Ana; Heuraux, Stéphane; Faudot, Eric; Noterdaeme, Jean-Marie

2017-10-01

RF sheath physics is one of the key topics relevant for improvements of ICRF heating systems, which are present on nearly all modern magnetic fusion machines. This paper introduces developement and validation of a new approach to understanding general RF sheath physics. The presumed reason of enhanced plasma-antenna interactions, parallel electric field, is not measured directly, but proposed to be obtained from simulations in COMSOL Multiphysics® Modeling Software. Measurements of RF magnetic field components with B-dot probes are done on a linear device IShTAR (Ion cyclotron Sheath Test ARrangement) and then compared to simulations. Good resulting accordance is suggested to be the criterion for trustworthiness of parallel electric field estimation as a component of electromagnetic field in modeling. A comparison between simulation and experiment for one magnetic field component in vacuum has demonstrated a close match. An additional complication to this ICRF antenna field characterization study is imposed by the helicon antenna which is used as a plasma ignition tool in the test arrangement. The plasma case, in contrast to the vacuum case, must be approached carefully, since the overlapping of ICRF antenna and helicon antenna fields occurs. Distinguishing of the two fields is done by an analysis of correlation between measurements with both antennas together and with each one separately.

Numerical Coupling and Simulation of Point-Mass System with the Turbulent Fluid Flow

NASA Astrophysics Data System (ADS)

Gao, Zheng

A computational framework that combines the Eulerian description of the turbulence field with a Lagrangian point-mass ensemble is proposed in this dissertation. Depending on the Reynolds number, the turbulence field is simulated using Direct Numerical Simulation (DNS) or eddy viscosity model. In the meanwhile, the particle system, such as spring-mass system and cloud droplets, are modeled using the ordinary differential system, which is stiff and hence poses a challenge to the stability of the entire system. This computational framework is applied to the numerical study of parachute deceleration and cloud microphysics. These two distinct problems can be uniformly modeled with Partial Differential Equations (PDEs) and Ordinary Differential Equations (ODEs), and numerically solved in the same framework. For the parachute simulation, a novel porosity model is proposed to simulate the porous effects of the parachute canopy. This model is easy to implement with the projection method and is able to reproduce Darcy's law observed in the experiment. Moreover, the impacts of using different versions of k-epsilon turbulence model in the parachute simulation have been investigated and conclude that the standard and Re-Normalisation Group (RNG) model may overestimate the turbulence effects when Reynolds number is small while the Realizable model has a consistent performance with both large and small Reynolds number. For another application, cloud microphysics, the cloud entrainment-mixing problem is studied in the same numerical framework. Three sets of DNS are carried out with both decaying and forced turbulence. The numerical result suggests a new way parameterize the cloud mixing degree using the dynamical measures. The numerical experiments also verify the negative relationship between the droplets number concentration and the vorticity field. The results imply that the gravity has fewer impacts on the forced turbulence than the decaying turbulence. In summary, the proposed framework can be used to solve a physics problem that involves turbulence field and point-mass system, and therefore has a broad application.

Simulations of DNA stretching by flow field in microchannels with complex geometry.

PubMed

Huang, Chiou-De; Kang, Dun-Yen; Hsieh, Chih-Chen

2014-01-01

Recently, we have reported the experimental results of DNA stretching by flow field in three microchannels (C. H. Lee and C. C. Hsieh, Biomicrofluidics 7(1), 014109 (2013)) designed specifically for the purpose of preconditioning DNA conformation for easier stretching. The experimental results do not only demonstrate the superiority of the new devices but also provides detailed observation of DNA behavior in complex flow field that was not available before. In this study, we use Brownian dynamics-finite element method (BD-FEM) to simulate DNA behavior in these microchannels, and compare the results against the experiments. Although the hydrodynamic interaction (HI) between DNA segments and between DNA and the device boundaries was not included in the simulations, the simulation results are in fairly good agreement with the experimental data from either the aspect of the single molecule behavior or from the aspect of ensemble averaged properties. The discrepancy between the simulation and the experimental results can be explained by the neglect of HI effect in the simulations. Considering the huge savings on the computational cost from neglecting HI, we conclude that BD-FEM can be used as an efficient and economic designing tool for developing new microfluidic device for DNA manipulation.

Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments

PubMed Central

Patmanidis, Ilias

2018-01-01

In bionanotechnology, the field of creating functional materials consisting of bio-inspired molecules, the function and shape of a nanostructure only appear through the assembly of many small molecules together. The large number of building blocks required to define a nanostructure combined with the many degrees of freedom in packing small molecules has long precluded molecular simulations, but recent advances in computational hardware as well as software have made classical simulations available to this strongly expanding field. Here, we review the state of the art in simulations of self-assembling bio-inspired supramolecular systems. We will first discuss progress in force fields, simulation protocols and enhanced sampling techniques using recent examples. Secondly, we will focus on efforts to enable the comparison of experimentally accessible observables and computational results. Experimental quantities that can be measured by microscopy, spectroscopy and scattering can be linked to simulation output either directly or indirectly, via quantum mechanical or semi-empirical techniques. Overall, we aim to provide an overview of the various computational approaches to understand not only the molecular architecture of nanostructures, but also the mechanism of their formation. PMID:29688238

COMSOL based Simulation on the Effect of Electric Field changes due to Lightning on Ground

NASA Astrophysics Data System (ADS)

Premlet, B.; Joby, N. E.; Sabu, S.

2017-12-01

The phenomenon of lightning is accompanied by localised changes in atmospheric electric fields. In cloud-to-ground strike locations, changes in atmospheric electric fields can even be observed at the ground a few minutes prior to a strike. A lot of research has been done already on the electrostatic changes prior to lightning in the region above ground. Through this work, we investigate into the effects of lightning electric fields on/under ground with the aid of simulations done in COMSOL Multiphysics. Horizontal and vertical profiles of voltage gradient, electric field, polarisation etc. are investigated. Simulation experiments were conducted using a general model of lightning electric fields formed using data recorded by the Electric Field Mills(EFMs) from three diverse parts of the world- Kennedy Space Centre (KSC),Florida (Using GHRC datasets),Sonnblick Observatory, Austria and National Centre for Earth Science Studies Trivandrum (NCESS),India. COMSOL models of the global electric circuit were developed using Sandstone as the base model for ground. Similar works in literature have only dealt with lightning electric fields above the ground. This work is the first step towards a high-level simulation on the effects of atmospheric electric field on/below ground. The results of this simulation work can aid lightning forecasting and preparedness by opening new doors for voltage based prediction methods at ground. It is also a tool to understand phenomena such as fulgurites, corona effect etc. It also helps in the design of buried cables and improved grounding systems. This work can also be a first step towards understanding localised potential variations at the ground during lightning.

Chaotic time series prediction for prenatal exposure to polychlorinated biphenyls in umbilical cord blood using the least squares SEATR model

NASA Astrophysics Data System (ADS)

Xu, Xijin; Tang, Qian; Xia, Haiyue; Zhang, Yuling; Li, Weiqiu; Huo, Xia

2016-04-01

Chaotic time series prediction based on nonlinear systems showed a superior performance in prediction field. We studied prenatal exposure to polychlorinated biphenyls (PCBs) by chaotic time series prediction using the least squares self-exciting threshold autoregressive (SEATR) model in umbilical cord blood in an electronic waste (e-waste) contaminated area. The specific prediction steps basing on the proposal methods for prenatal PCB exposure were put forward, and the proposed scheme’s validity was further verified by numerical simulation experiments. Experiment results show: 1) seven kinds of PCB congeners negatively correlate with five different indices for birth status: newborn weight, height, gestational age, Apgar score and anogenital distance; 2) prenatal PCB exposed group at greater risks compared to the reference group; 3) PCBs increasingly accumulated with time in newborns; and 4) the possibility of newborns suffering from related diseases in the future was greater. The desirable numerical simulation experiments results demonstrated the feasibility of applying mathematical model in the environmental toxicology field.

Chaotic time series prediction for prenatal exposure to polychlorinated biphenyls in umbilical cord blood using the least squares SEATR model

PubMed Central

Xu, Xijin; Tang, Qian; Xia, Haiyue; Zhang, Yuling; Li, Weiqiu; Huo, Xia

2016-01-01

Chaotic time series prediction based on nonlinear systems showed a superior performance in prediction field. We studied prenatal exposure to polychlorinated biphenyls (PCBs) by chaotic time series prediction using the least squares self-exciting threshold autoregressive (SEATR) model in umbilical cord blood in an electronic waste (e-waste) contaminated area. The specific prediction steps basing on the proposal methods for prenatal PCB exposure were put forward, and the proposed scheme’s validity was further verified by numerical simulation experiments. Experiment results show: 1) seven kinds of PCB congeners negatively correlate with five different indices for birth status: newborn weight, height, gestational age, Apgar score and anogenital distance; 2) prenatal PCB exposed group at greater risks compared to the reference group; 3) PCBs increasingly accumulated with time in newborns; and 4) the possibility of newborns suffering from related diseases in the future was greater. The desirable numerical simulation experiments results demonstrated the feasibility of applying mathematical model in the environmental toxicology field. PMID:27118260

Molding acoustic, electromagnetic and water waves with a single cloak

PubMed Central

Xu, Jun; Jiang, Xu; Fang, Nicholas; Georget, Elodie; Abdeddaim, Redha; Geffrin, Jean-Michel; Farhat, Mohamed; Sabouroux, Pierre; Enoch, Stefan; Guenneau, Sébastien

2015-01-01

We describe two experiments demonstrating that a cylindrical cloak formerly introduced for linear surface liquid waves works equally well for sound and electromagnetic waves. This structured cloak behaves like an acoustic cloak with an effective anisotropic density and an electromagnetic cloak with an effective anisotropic permittivity, respectively. Measured forward scattering for pressure and magnetic fields are in good agreement and provide first evidence of broadband cloaking. Microwave experiments and 3D electromagnetic wave simulations further confirm reduced forward and backscattering when a rectangular metallic obstacle is surrounded by the structured cloak for cloaking frequencies between 2.6 and 7.0 GHz. This suggests, as supported by 2D finite element simulations, sound waves are cloaked between 3 and 8 KHz and linear surface liquid waves between 5 and 16 Hz. Moreover, microwave experiments show the field is reduced by 10 to 30 dB inside the invisibility region, which suggests the multi-wave cloak could be used as a protection against water, sonic or microwaves. PMID:26057934

Molding acoustic, electromagnetic and water waves with a single cloak.

PubMed

Xu, Jun; Jiang, Xu; Fang, Nicholas; Georget, Elodie; Abdeddaim, Redha; Geffrin, Jean-Michel; Farhat, Mohamed; Sabouroux, Pierre; Enoch, Stefan; Guenneau, Sébastien

2015-06-09

We describe two experiments demonstrating that a cylindrical cloak formerly introduced for linear surface liquid waves works equally well for sound and electromagnetic waves. This structured cloak behaves like an acoustic cloak with an effective anisotropic density and an electromagnetic cloak with an effective anisotropic permittivity, respectively. Measured forward scattering for pressure and magnetic fields are in good agreement and provide first evidence of broadband cloaking. Microwave experiments and 3D electromagnetic wave simulations further confirm reduced forward and backscattering when a rectangular metallic obstacle is surrounded by the structured cloak for cloaking frequencies between 2.6 and 7.0 GHz. This suggests, as supported by 2D finite element simulations, sound waves are cloaked between 3 and 8 KHz and linear surface liquid waves between 5 and 16 Hz. Moreover, microwave experiments show the field is reduced by 10 to 30 dB inside the invisibility region, which suggests the multi-wave cloak could be used as a protection against water, sonic or microwaves.

Designing Free Energy Surfaces That Match Experimental Data with Metadynamics

DOE PAGES

White, Andrew D.; Dama, James F.; Voth, Gregory A.

2015-04-30

Creating models that are consistent with experimental data is essential in molecular modeling. This is often done by iteratively tuning the molecular force field of a simulation to match experimental data. An alternative method is to bias a simulation, leading to a hybrid model composed of the original force field and biasing terms. Previously we introduced such a method called experiment directed simulation (EDS). EDS minimally biases simulations to match average values. We also introduce a new method called experiment directed metadynamics (EDM) that creates minimal biases for matching entire free energy surfaces such as radial distribution functions and phi/psimore » angle free energies. It is also possible with EDM to create a tunable mixture of the experimental data and free energy of the unbiased ensemble with explicit ratios. EDM can be proven to be convergent, and we also present proof, via a maximum entropy argument, that the final bias is minimal and unique. Examples of its use are given in the construction of ensembles that follow a desired free energy. Finally, the example systems studied include a Lennard-Jones fluid made to match a radial distribution function, an atomistic model augmented with bioinformatics data, and a three-component electrolyte solution where ab initio simulation data is used to improve a classical empirical model.« less

Designing free energy surfaces that match experimental data with metadynamics.

PubMed

White, Andrew D; Dama, James F; Voth, Gregory A

2015-06-09

Creating models that are consistent with experimental data is essential in molecular modeling. This is often done by iteratively tuning the molecular force field of a simulation to match experimental data. An alternative method is to bias a simulation, leading to a hybrid model composed of the original force field and biasing terms. We previously introduced such a method called experiment directed simulation (EDS). EDS minimally biases simulations to match average values. In this work, we introduce a new method called experiment directed metadynamics (EDM) that creates minimal biases for matching entire free energy surfaces such as radial distribution functions and phi/psi angle free energies. It is also possible with EDM to create a tunable mixture of the experimental data and free energy of the unbiased ensemble with explicit ratios. EDM can be proven to be convergent, and we also present proof, via a maximum entropy argument, that the final bias is minimal and unique. Examples of its use are given in the construction of ensembles that follow a desired free energy. The example systems studied include a Lennard-Jones fluid made to match a radial distribution function, an atomistic model augmented with bioinformatics data, and a three-component electrolyte solution where ab initio simulation data is used to improve a classical empirical model.

Sensitivity study of a dynamic thermodynamic sea ice model

NASA Astrophysics Data System (ADS)

Holland, David M.; Mysak, Lawrence A.; Manak, Davinder K.; Oberhuber, Josef M.

1993-02-01

A numerical simulation of the seasonal sea ice cover in the Arctic Ocean and the Greenland, Iceland, and Norwegian seas is presented. The sea ice model is extracted from Oberhuber's (1990) coupled sea ice-mixed layer-isopycnal general circulation model and is written in spherical coordinates. The advantage of such a model over previous sea ice models is that it can be easily coupled to either global atmospheric or ocean general circulation models written in spherical coordinates. In this model, the thermodynamics are a modification of that of Parkinson and Washington (1979), while the dynamics use the full Hibler (1979) viscous-plastic rheology. Monthly thermodynamic and dynamic forcing fields for the atmosphere and ocean are specified. The simulations of the seasonal cycle of ice thickness, compactness, and velocity, for a control set of parameters, compare favorably with the known seasonal characteristics of these fields. A sensitivity study of the control simulation of the seasonal sea ice cover is presented. The sensitivity runs are carried out under three different themes, namely, numerical conditions, parameter values, and physical processes. This last theme refers to experiments in which physical processes are either newly added or completely removed from the model. Approximately 80 sensitivity runs have been performed in which a change from the control run environment has been implemented. Comparisons have been made between the control run and a particular sensitivity run based on time series of the seasonal cycle of the domain-averaged ice thickness, compactness, areal coverage, and kinetic energy. In addition, spatially varying fields of ice thickness, compactness, velocity, and surface temperature for each season are presented for selected experiments. A brief description and discussion of the more interesting experiments are presented. The simulation of the seasonal cycle of Arctic sea ice cover is shown to be robust.

Locating S-wave sources for the SPE-5 explosion using time reversal methods and a close-in, 1000 sensor network

NASA Astrophysics Data System (ADS)

Myers, S. C.; Pitarka, A.; Mellors, R. J.

2016-12-01

The Source Physics Experiment (SPE) is producing new data to study the generation of seismic waves from explosive sources. Preliminary results show that far-field S-waves are generated both within the non-elastic volume surrounding explosive sources and by P- to S-wave scattering. The relative contribution of non-elastic phenomenology and elastic-wave scattering to far-field S-waves has been debated for decades, and numerical simulations based on the SPE experiments are addressing this question. The match between observed and simulated data degrades with event-station distance and with increasing time in each seismogram. This suggests that a more accurate model of subsurface elastic properties could result in better agreement between observed and simulated seismograms. A detailed model of subsurface structure has been developed using geologic maps and the extensive database of borehole logs, but uncertainty in structural details remains high. The large N instrument deployment during the SPE-5 experiment offers an opportunity to use time-reversal techniques to back project the wave field into the subsurface to locate significant sources of scattered energy. The large N deployment was nominally 1000, 5 Hz sensors (500 Z and 500 3C geophones) deployed in a roughly rectangular array to the south and east of the SPE-5 shot. Sensor spacing was nominally 50 meters in the interior portion of the array and 100 meters in the outer region, with two dense lines at 25 m spacing. The array covers the major geologic boundary between the Yucca Flat basin and the granitic Climax Stock in which the SPE experiments have been conducted. Improved mapping of subsurface scatterers is expected to result in better agreement between simulated and observed seismograms and aid in our understanding of S-wave generation from explosions. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Simulation in shoulder surgery.

PubMed

Colaço, Henry B; Tennent, Duncan

2016-10-01

Simulation is a rapidly developing field in medical education. There is a growing need for trainee surgeons to acquire surgical skills in a cost-effective learning environment to improve patient safety and compensate for a reduction in training time and operative experience. Although simulation is not a replacement for traditional models of surgical training, and robust assessment metrics need to be validated before widespread use for accreditation, it is a useful adjunct that may ultimately lead to improving surgical outcomes for our patients.

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.

Planetary Boundary Layer Simulation Using TASS

NASA Technical Reports Server (NTRS)

Schowalter, David G.; DeCroix, David S.; Lin, Yuh-Lang; Arya, S. Pal; Kaplan, Michael

1996-01-01

Boundary conditions to an existing large-eddy simulation model have been changed in order to simulate turbulence in the atmospheric boundary layer. Several options are now available, including the use of a surface energy balance. In addition, we compare convective boundary layer simulations with the Wangara and Minnesota field experiments as well as with other model results. We find excellent agreement of modelled mean profiles of wind and temperature with observations and good agreement for velocity variances. Neutral boundary simulation results are compared with theory and with previously used models. Agreement with theory is reasonable, while agreement with previous models is excellent.

Three-Dimensional Temperature Field Simulation for the Rotor of an Asynchronous Motor

ERIC Educational Resources Information Center

Wang, Yanwu; Fan, Chunli; Yang, Li; Sun, Fengrui

2010-01-01

A three-dimensional heat transfer model is built according to the rotor structure of an asynchronous motor, and three-dimensional temperature fields of the rotor under different working conditions, such as the unloaded, rated loaded and that with broken rotor bars, are studied based on the finite element numerical method and experiments. The…

Sensitivity analysis of tracer transport in variably saturated soils at USDA-ARS OPE3 field site

USDA-ARS?s Scientific Manuscript database

The objective of this study was to assess the effects of uncertainties in hydrologic and geochemical parameters on the results of simulations of the tracer transport in variably saturated soils at the USDA-ARS OPE3 field site. A tracer experiment with a pulse of KCL solution applied to an irrigatio...

Impacts of an ethanol-blended fuel release on groundwater and fate of produced methane: Simulation of field observations

EPA Science Inventory

In a field experiment at Vandenberg Air Force Base (VAFB) designed to mimic the impact of a small-volume release of E10, two plumes were created by injecting extracted groundwater spiked with benzene, toluene, and o-xylene, abbreviated BToX (No-Ethanol Lane) and BToX plus ethanol...

Charge Equilibration Force Fields for Lipid Environments: Applications to Fully Hydrated DPPC Bilayers and DMPC-Embedded Gramicidin A

PubMed Central

Davis, Joseph E.; Patel, Sandeep

2009-01-01

Polarizable force fields for lipid and solvent environments are used for molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine (DPPC) bilayer and gramicidin A (gA) dimer embedded in a dimyristoylphosphatidylcholine (DMPC) bilayer. The lipid bilayer is modelled using the CHARMM charge equilibration (CHEQ) polarizable force field for lipids and the TIP4P-FQ force field to represent solvent. For the DPPC bilayer system, results are compared to the same system simulated using the nonpolarizable CHARMM27r (C27r) force field and TIP3P water. Calculated atomic and electron density profiles, headgroup orientations as measured by the phosphorus-nitrogen vector orientation, and deuterium order parameters are found to be consistent with previous simulations and with experiment. The CHEQ model exhibits greater water penetration into the bilayer interior, as demonstrated by the potential of mean force calculated from the water density profile. This is a result of the variation of the water molecular dipole from 2.55 D in the bulk to 1.88 D in the interior. We discuss this finding in the context of previous studies (both simulation and experiment) that have investigated the extent of penetration of water into DPPC bilayers. We also discuss the effects of including explicit polarization on the water dipole moment variation as a function of distance from the bilayer. We show distributions of atomic charges over the course of the simulation, since the CHEQ model allows the charges to fluctuate. We have calculated the interfacial dipole potential, which the CHEQ model predicts to be 0.95 V compared to 0.86 V as predicted by the C27r model. We also discuss dielectric permittivity profiles and the differences arising between the two models. We obtain bulk values of 72.77 for the CHEQ model (TIP4P-FQ water) and 91.22 for C27r (TIP3P), and values approaching unity in the membrane interior. Finally, we present results of simulations of gA embedded in a DMPC bilayer using the CHEQ model and discuss structural properties. PMID:19526999

Visual-spatial ability is more important than motivation for novices in surgical simulator training: a preliminary study.

PubMed

Schlickum, Marcus; Hedman, Leif; Felländer-Tsai, Li

2016-02-21

To investigate whether surgical simulation performance and previous video gaming experience would correlate with higher motivation to further train a specific simulator task and whether visual-spatial ability would rank higher in importance to surgical performance than the above. It was also examined whether or not motivation would correlate with a preference to choose a surgical specialty in the future and if simulator training would increase the interest in choosing that same work field. Motivation and general interest in surgery was measured pre- and post-training in 30 medical students at Karolinska Institutet who were tested in a laparoscopic surgical simulator in parallel with measurement of visual-spatial ability and self-estimated video gaming experience. Correlations between simulator performance metrics, visual-spatial ability and motivation were statistically analyzed using regression analysis. A good result in the first simulator trial correlated with higher self-determination index (r =-0.46, p=0.05) in male students. Visual-spatial ability was the most important underlying factor followed by intrinsic motivation score and finally video gaming experience (p=0.02, p=0.05, p=0.11) regarding simulator performance in male students. Simulator training increased interest in surgery when studying all subjects (p=0.01), male subjects (p=0.02) as well as subjects with low video gaming experience (p=0.02). This preliminary study highlights individual differences regarding the effect of simulator training on motivation that can be taken into account when designing simulator training curricula, although the sample size is quite small and findings should be interpreted carefully.

Nanostructure Formation by controlled dewetting on patterned substrates: A combined theoretical, modeling and experimental study

PubMed Central

Lu, Liang-Xing; Wang, Ying-Min; Srinivasan, Bharathi Madurai; Asbahi, Mohamed; Yang, Joel K. W.; Zhang, Yong-Wei

2016-01-01

We perform systematic two-dimensional energetic analysis to study the stability of various nanostructures formed by dewetting solid films deposited on patterned substrates. Our analytical results show that by controlling system parameters such as the substrate surface pattern, film thickness and wetting angle, a variety of equilibrium nanostructures can be obtained. Phase diagrams are presented to show the complex relations between these system parameters and various nanostructure morphologies. We further carry out both phase field simulations and dewetting experiments to validate the analytically derived phase diagrams. Good agreements between the results from our energetic analyses and those from our phase field simulations and experiments verify our analysis. Hence, the phase diagrams presented here provide guidelines for using solid-state dewetting as a tool to achieve various nanostructures. PMID:27580943

Enhancing audiovisual experience with haptic feedback: a survey on HAV.

PubMed

Danieau, F; Lecuyer, A; Guillotel, P; Fleureau, J; Mollet, N; Christie, M

2013-01-01

Haptic technology has been widely employed in applications ranging from teleoperation and medical simulation to art and design, including entertainment, flight simulation, and virtual reality. Today there is a growing interest among researchers in integrating haptic feedback into audiovisual systems. A new medium emerges from this effort: haptic-audiovisual (HAV) content. This paper presents the techniques, formalisms, and key results pertinent to this medium. We first review the three main stages of the HAV workflow: the production, distribution, and rendering of haptic effects. We then highlight the pressing necessity for evaluation techniques in this context and discuss the key challenges in the field. By building on existing technologies and tackling the specific challenges of the enhancement of audiovisual experience with haptics, we believe the field presents exciting research perspectives whose financial and societal stakes are significant.

Midlatitude atmosphere-ocean interaction during El Nino. Part I. The north Pacific ocean

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

Alexander, M.A.

Atmosphere-ocean modeling experiments are used to investigate the formation of sea surface temperature (SST) anomalies in the North Pacific Ocean during fall and winter of the El Nino year. Experiments in which the NCAR Community Climate Model (CCM) surface fields are used to force a mixed-layer ocean model in the North Pacific (no air-sea feedback) are compared to simulations in which the CCM and North Pacific Ocean model are coupled. Anomalies in the atmosphere and the North Pacific Ocean during El Nino are obtained from the difference between simulations with and without prescribed warm SST anomalies in the tropical Pacific.more » In both the forced and coupled experiments, the anomaly pattern resembles a composite of the actual SST anomaly field during El Nino: warm SSTs develop along the coast of North America and cold SSTs form in the central Pacific. In the coupled simulations, air-sea interaction results in a 25% to 50% reduction in the magnitude of the SST and mixed-layer depth anomalies, resulting in more realistic SST fields. Coupling also decreases the SST anomaly variance; as a result, the anomaly centers remain statistically significant even though the magnitude of the anomalies is reduced. Three additional sensitivity studies indicate that air-sea feedback and entrainment act to damp SST anomalies while Ekman pumping has a negligible effect on mixed-layer depth and SST anomalies in midatitudes.« less

WebGL-enabled 3D visualization of a Solar Flare Simulation

NASA Astrophysics Data System (ADS)

Chen, A.; Cheung, C. M. M.; Chintzoglou, G.

2016-12-01

The visualization of magnetohydrodynamic (MHD) simulations of astrophysical systems such as solar flares often requires specialized software packages (e.g. Paraview and VAPOR). A shortcoming of using such software packages is the inability to share our findings with the public and scientific community in an interactive and engaging manner. By using the javascript-based WebGL application programming interface (API) and the three.js javascript package, we create an online in-browser experience for rendering solar flare simulations that will be interactive and accessible to the general public. The WebGL renderer displays objects such as vector flow fields, streamlines and textured isosurfaces. This allows the user to explore the spatial relation between the solar coronal magnetic field and the thermodynamic structure of the plasma in which the magnetic field is embedded. Plans for extending the features of the renderer will also be presented.

Aerobrake plasmadynamics - Macroscopic effects

NASA Technical Reports Server (NTRS)

Shebalin, John V.

1990-01-01

The flow around an aerobraking spacecraft (such as the Aeroassist Flight Experiment reentry vehicle) will contain a region of partially ionized gas, that is, a plasma. It is shown here by numerical simulation that macroscopic plasmadynamic effects (which are not included in standard aerothermodynamic simulations) will have a noticeable effect on the reentry flow field. In particular, there are thermoelectric phenomena which can have a major influence in flow dynamics at the front of an ionizing bowshock. These thermoelectric phenomena arise because of the presence of large density and temperature gradients at the front of a reentry bowshock, and they include strong local magnetic fields, electric currents, and ohmic heating. One important result is the dramatic increase in temperature (over the case where plasma effects are neglected) at a reentry shock front; the implication is that macroscopic plasmadynamic effects can no longer be neglected in simulations of hypersonic reentry flow fields.

Seasonal thermal energy storage in aquifers: Mathematical modeling studies in 1979

NASA Technical Reports Server (NTRS)

Tsang, C. F.

1980-01-01

A numerical model of water and heat flow in geologic media was developed, verified, and tested. The hydraulic parameters (transmittivity and storativity) and the location of a linear hydrologic barrier were simulated and compared with results from field experiments involving two injection-storage-recovery cycles. For both cycles, the initial simulated and observed temperatures agree (55c).

Fully dynamical simulation of central nuclear collisions.

PubMed

van der Schee, Wilke; Romatschke, Paul; Pratt, Scott

2013-11-27

We present a fully dynamical simulation of central nuclear collisions around midrapidity at LHC energies. Unlike previous treatments, we simulate all phases of the collision, including the equilibration of the system. For the simulation, we use numerical relativity solutions to anti-de Sitter space/conformal field theory for the preequilibrium stage, viscous hydrodynamics for the plasma equilibrium stage, and kinetic theory for the low-density hadronic stage. Our preequilibrium stage provides initial conditions for hydrodynamics, resulting in sizable radial flow. The resulting light particle spectra reproduce the measurements from the ALICE experiment at all transverse momenta.

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

Simulations of molecular diffusion in lattices of cells: insights for NMR of red blood cells.

PubMed Central

Regan, David G; Kuchel, Philip W

2002-01-01

The pulsed field-gradient spin-echo (PGSE) nuclear magnetic resonance (NMR) experiment, conducted on a suspension of red blood cells (RBC) in a strong magnetic field yields a q-space plot consisting of a series of maxima and minima. This is mathematically analogous to a classical optical diffraction pattern. The method provides a noninvasive and novel means of characterizing cell suspensions that is sensitive to changes in cell shape and packing density. The positions of the features in a q-space plot characterize the rate of exchange across the membrane, cell dimensions, and packing density. A diffusion tensor, containing information regarding the diffusion anisotropy of the system, can also be derived from the PGSE NMR data. In this study, we carried out Monte Carlo simulations of diffusion in suspensions of "virtual" cells that had either biconcave disc (as in RBC) or oblate spheroid geometry. The simulations were performed in a PGSE NMR context thus enabling predictions of q-space and diffusion tensor data. The simulated data were compared with those from real PGSE NMR diffusion experiments on RBC suspensions that had a range of hematocrit values. Methods that facilitate the processing of q-space data were also developed. PMID:12080109

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

Evaluation of a Multi-Decadal Simulation of Stratospheric Ozone by Comparison with Total Ozone Mapping Spectrometer (TOMS) Observations

NASA Technical Reports Server (NTRS)

Douglass, Anne R.; Stolarski, Richard S.; Steenrod, Steven; Pawson, Steven

2003-01-01

One key application of atmospheric chemistry and transport models is prediction of the response of ozone and other constituents to various natural and anthropogenic perturbations. These include changes in composition, such as the previous rise and recent decline in emission of man-made chlorofluorcarbons, changes in aerosol loading due to volcanic eruption, and changes in solar forcing. Comparisons of hindcast model results for the past few decades with observations are a key element of model evaluation and provide a sense of the reliability of model predictions. The 25 year data set from Total Ozone Mapping Spectrometers is a cornerstone of such model evaluation. Here we report evaluation of three-dimensional multi-decadal simulation of stratospheric composition. Meteorological fields for this off-line calculation are taken from a 50 year simulation of a general circulation model. Model fields are compared with observations from TOMS and also with observations from the Stratospheric Aerosol and Gas Experiment (SAGE), Microwave Limb Sounder (MLS), Cryogenic Limb Array Etalon Spectrometer (CLAES), and the Halogen Occultation Experiment (HALOE). This overall evaluation will emphasize the spatial, seasonal, and interannual variability of the simulation compared with observed atmospheric variability.

Simulations of molecular diffusion in lattices of cells: insights for NMR of red blood cells.

PubMed

Regan, David G; Kuchel, Philip W

2002-07-01

The pulsed field-gradient spin-echo (PGSE) nuclear magnetic resonance (NMR) experiment, conducted on a suspension of red blood cells (RBC) in a strong magnetic field yields a q-space plot consisting of a series of maxima and minima. This is mathematically analogous to a classical optical diffraction pattern. The method provides a noninvasive and novel means of characterizing cell suspensions that is sensitive to changes in cell shape and packing density. The positions of the features in a q-space plot characterize the rate of exchange across the membrane, cell dimensions, and packing density. A diffusion tensor, containing information regarding the diffusion anisotropy of the system, can also be derived from the PGSE NMR data. In this study, we carried out Monte Carlo simulations of diffusion in suspensions of "virtual" cells that had either biconcave disc (as in RBC) or oblate spheroid geometry. The simulations were performed in a PGSE NMR context thus enabling predictions of q-space and diffusion tensor data. The simulated data were compared with those from real PGSE NMR diffusion experiments on RBC suspensions that had a range of hematocrit values. Methods that facilitate the processing of q-space data were also developed.

The optical design and simulation of the collimated solar simulator

NASA Astrophysics Data System (ADS)

Zhang, Jun; Ma, Tao

2018-01-01

The solar simulator is a lighting device that can simulate the solar radiation. It has been widely used in the testing of solar cells, satellite space environment simulation and ground experiment, test and calibration precision of solar sensor. The solar simulator mainly consisted of short—arc xenon lamp, ellipsoidal reflectors, a group of optical integrator, field stop, aspheric folding mirror and collimating reflector. In this paper, the solar simulator's optical system basic size are given by calculation. Then the system is optically modeled with the Lighttools software, and the simulation analysis on solar simulator using the Monte Carlo ray -tracing technique is conducted. Finally, the simulation results are given quantitatively by diagrammatic form. The rationality of the design is verified on the basis of theory.

Study of Magnetic Damping Effect on Convection and Solidification Under G-Jitter Conditions

NASA Technical Reports Server (NTRS)

Li, Ben Q.; deGroh, H. C., III

1999-01-01

As shown by NASA resources dedicated to measuring residual gravity (SAMS and OARE systems), g-jitter is a critical issue affecting space experiments on solidification processing of materials. This study aims to provide, through extensive numerical simulations and ground based experiments, an assessment of the use of magnetic fields in combination with microgravity to reduce the g-jitter induced convective flows in space processing systems. We have so far completed asymptotic analyses based on the analytical solutions for g-jitter driven flow and magnetic field damping effects for a simple one-dimensional parallel plate configuration, and developed both 2-D and 3-D numerical models for g-jitter driven flows in simple solidification systems with and without presence of an applied magnetic field. Numerical models have been checked with the analytical solutions and have been applied to simulate the convective flows and mass transfer using both synthetic g-jitter functions and the g-jitter data taken from space flight. Some useful findings have been obtained from the analyses and the modeling results. Some key points may be summarized as follows: (1) the amplitude of the oscillating velocity decreases at a rate inversely proportional to the g-jitter frequency and with an increase in the applied magnetic field; (2) the induced flow approximately oscillates at the same frequency as the affecting g-jitter, but out of a phase angle; (3) the phase angle is a complicated function of geometry, applied magnetic field, temperature gradient and frequency; (4) g-jitter driven flows exhibit a complex fluid flow pattern evolving in time; (5) the damping effect is more effective for low frequency flows; and (6) the applied magnetic field helps to reduce the variation of solutal distribution along the solid-liquid interface. Work in progress includes numerical simulations and ground-based measurements. Both 2-D and 3-D numerical simulations are being continued to obtain further information on g-jitter driven flows and magnetic field effects. A physical model for ground-based measurements is completed and some measurements of the oscillating convection are being taken on the physical model. The comparison of the measurements with numerical simulations is in progress. Additional work planned in the project will also involve extending the 2-D numerical model to include the solidification phenomena with the presence of both g-jitter and magnetic fields.

Physico-Chemical Evolution of Organic Aerosol from Wildfire Emissions

NASA Astrophysics Data System (ADS)

Croteau, P.; Jathar, S.; Akherati, A.; Galang, A.; Tarun, S.; Onasch, T. B.; Lewane, L.; Herndon, S. C.; Roscioli, J. R.; Yacovitch, T. I.; Fortner, E.; Xu, W.; Daube, C.; Knighton, W. B.; Werden, B.; Wood, E.

2017-12-01

Wildfires are the largest combustion-related source of carbonaceous emissions to the atmosphere; these include direct emissions of black carbon (BC), primary organic aerosol (POA) and semi-volatile, intermediate-volatility, and volatile organic compounds (SVOCs, IVOCs, and VOCs). However, there are large uncertainties surrounding the evolution of these carbonaceous emissions as they are physically and chemically transformed in the atmosphere. To understand these transformations, we performed sixteen experiments using an environmental chamber to simulate day- and night-time chemistry of gas- and aerosol-phase emissions from 6 different fuels at the Fire Laboratory in Missoula, MT. Across the test matrix, the experiments simulated 2 to 8 hours of equivalent day-time aging (with the hydroxyl radical and ozone) or several hours of night-time aging (with the nitrate radical). Aging resulted in an average organic aerosol (OA) mass enhancement of 28% although the full range of OA mass enhancements varied between -10% and 254%. These enhancement findings were consistent with chamber and flow reactor experiments performed at the Fire Laboratory in 2010 and 2012 but, similar to previous studies, offered no evidence to link the OA mass enhancement to fuel type or oxidant exposure. Experiments simulating night-time aging resulted in an average OA mass enhancement of 10% and subsequent day-time aging resulted in a decrease in OA mass of 8%. While small, for the first time, these experiments highlighted the continuous nature of the OA evolution as the wildfire smoke cycled through night- and day-time processes. Ongoing work is focussed on (i) quantifying bulk compositional changes in OA, (ii) comparing the near-field aging simulated in this work with far-field aging simulated during the same campaign (via a mini chamber and flow tube) and (iii) integrating wildfire smoke aging datasets over the past decade to examine the relationship between OA mass enhancement ratios, modified combustion efficiency, initial aerosol concentrations and composition, aerosol size, oxidant exposure, VOC:NOx ratios, and emissions and speciation of SOA precursors.

Wave propagation simulation in the upper core of sodium-cooled fast reactors using a spectral-element method for heterogeneous media

NASA Astrophysics Data System (ADS)

Nagaso, Masaru; Komatitsch, Dimitri; Moysan, Joseph; Lhuillier, Christian

2018-01-01

ASTRID project, French sodium cooled nuclear reactor of 4th generation, is under development at the moment by Alternative Energies and Atomic Energy Commission (CEA). In this project, development of monitoring techniques for a nuclear reactor during operation are identified as a measure issue for enlarging the plant safety. Use of ultrasonic measurement techniques (e.g. thermometry, visualization of internal objects) are regarded as powerful inspection tools of sodium cooled fast reactors (SFR) including ASTRID due to opacity of liquid sodium. In side of a sodium cooling circuit, heterogeneity of medium occurs because of complex flow state especially in its operation and then the effects of this heterogeneity on an acoustic propagation is not negligible. Thus, it is necessary to carry out verification experiments for developments of component technologies, while such kind of experiments using liquid sodium may be relatively large-scale experiments. This is why numerical simulation methods are essential for preceding real experiments or filling up the limited number of experimental results. Though various numerical methods have been applied for a wave propagation in liquid sodium, we still do not have a method for verifying on three-dimensional heterogeneity. Moreover, in side of a reactor core being a complex acousto-elastic coupled region, it has also been difficult to simulate such problems with conventional methods. The objective of this study is to solve these 2 points by applying three-dimensional spectral element method. In this paper, our initial results on three-dimensional simulation study on heterogeneous medium (the first point) are shown. For heterogeneity of liquid sodium to be considered, four-dimensional temperature field (three spatial and one temporal dimension) calculated by computational fluid dynamics (CFD) with Large-Eddy Simulation was applied instead of using conventional method (i.e. Gaussian Random field). This three-dimensional numerical experiment yields that we could verify the effects of heterogeneity of propagation medium on waves in Liquid sodium.

Kinetic-scale flux rope reconnection in periodic and line-tied geometries

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

Sauppe, J. P.; Daughton, W.

Here, the collisionless reconnection of two parallel flux ropes driven by both the coalescence and kink instabilities is examined using fully kinetic simulations in periodic and line-tied geometries. The three-dimensional reconnection rate is computed from the maximum of the quasi-potential, Ξ≡-∫E·dℓ, where the integral of the electric field is taken along the magnetic field lines across the system. In periodic simulations in which the kink mode is nearly suppressed, reconnection is driven by the coalescence instability, and the peak rate is within 3%–8% of comparable 2D simulations. When a strong kink growth is observed, the peak reconnection rate drops bymore » 10%–25%, and there is a larger drop for lower guide field. With line-tied boundary conditions, the kink instability plays a key role in allowing the flux ropes to interact and partially reconnect. In this limit, the field lines with maximum quasi-potential are associated with a quasi-separatrix layer, and the electric field along these special field lines is supported predominantly by the divergence of the electron pressure tensor. Both of these features, along with the observed reconnection rate, are consistent with recent laboratory experiments on kinetic-scale flux ropes. In kinetic simulations, the non-gyrotropic pressure tensor terms contribute significantly more to the reconnecting electric field than do the gyrotropic terms, while contributions from the electron inertia are significant for field lines adjacent to the quasi-separatrix layer.« less

Kinetic-scale flux rope reconnection in periodic and line-tied geometries

DOE PAGES

Sauppe, J. P.; Daughton, W.

2017-12-28

Here, the collisionless reconnection of two parallel flux ropes driven by both the coalescence and kink instabilities is examined using fully kinetic simulations in periodic and line-tied geometries. The three-dimensional reconnection rate is computed from the maximum of the quasi-potential, Ξ≡-∫E·dℓ, where the integral of the electric field is taken along the magnetic field lines across the system. In periodic simulations in which the kink mode is nearly suppressed, reconnection is driven by the coalescence instability, and the peak rate is within 3%–8% of comparable 2D simulations. When a strong kink growth is observed, the peak reconnection rate drops bymore » 10%–25%, and there is a larger drop for lower guide field. With line-tied boundary conditions, the kink instability plays a key role in allowing the flux ropes to interact and partially reconnect. In this limit, the field lines with maximum quasi-potential are associated with a quasi-separatrix layer, and the electric field along these special field lines is supported predominantly by the divergence of the electron pressure tensor. Both of these features, along with the observed reconnection rate, are consistent with recent laboratory experiments on kinetic-scale flux ropes. In kinetic simulations, the non-gyrotropic pressure tensor terms contribute significantly more to the reconnecting electric field than do the gyrotropic terms, while contributions from the electron inertia are significant for field lines adjacent to the quasi-separatrix layer.« less

Effects of confinement, geometry, inlet velocity profile, and Reynolds number on the asymmetry of opposed-jet flows

NASA Astrophysics Data System (ADS)

Ansari, Abtin; Chen, Kevin K.; Burrell, Robert R.; Egolfopoulos, Fokion N.

2018-04-01

The opposed-jet counterflow configuration is widely used to measure fundamental flame properties that are essential targets for validating chemical kinetic models. The main and key assumption of the counterflow configuration in laminar flame experiments is that the flow field is steady and quasi-one-dimensional. In this study, experiments and numerical simulations were carried out to investigate the behavior and controlling parameters of counterflowing isothermal air jets for various nozzle designs, Reynolds numbers, and surrounding geometries. The flow field in the jets' impingement region was analyzed in search of instabilities, asymmetries, and two-dimensional effects that can introduce errors when the data are compared with results of quasi-one-dimensional simulations. The modeling involved transient axisymmetric numerical simulations along with bifurcation analysis, which revealed that when the flow field is confined between walls, local bifurcation occurs, which in turn results in asymmetry, deviation from the one-dimensional assumption, and sensitivity of the flow field structure to boundary conditions and surrounding geometry. Particle image velocimetry was utilized and results revealed that for jets of equal momenta at low Reynolds numbers of the order of 300, the flow field is asymmetric with respect to the middle plane between the nozzles even in the absence of confining walls. The asymmetry was traced to the asymmetric nozzle exit velocity profiles caused by unavoidable imperfections in the nozzle assembly. The asymmetry was not detectable at high Reynolds numbers of the order of 1000 due to the reduced sensitivity of the flow field to boundary conditions. The cases investigated computationally covered a wide range of Reynolds numbers to identify designs that are minimally affected by errors in the experimental procedures or manufacturing imperfections, and the simulations results were used to identify conditions that best conform to the assumptions of quasi-one-dimensional modeling.

Model simulations of a field experiment on cation exchange-affected multicomponent solute transport in a sandy aquifer

NASA Astrophysics Data System (ADS)

Bjerg, Poul L.; Ammentorp, Hans C.; Christensen, Thomas H.

1993-04-01

A large-scale and long-term field experiment on cation exchange in a sandy aquifer has been modelled by a three-dimensional geochemical transport model. The geochemical model includes cation-exchange processes using a Gaines-Thomas expression, the closed carbonate system and the effects of ionic strength. Information on geology, hydrogeology and the transient conservative solute transport behaviour was obtained from a dispersion study in the same aquifer. The geochemical input parameters were carefully examined. CEC and selectivity coefficients were determined on the actual aquifer material by batch experiments and by the composition of the cations on the exchange complex. Potassium showed a non-ideal exchange behaviour with KCa selectivity coefficients indicating dependency on equivalent fraction and K + concentration in the aqueous phase. The model simulations over a distance of 35 m and a period of 250 days described accurately the observed attenuation of Na and the expelled amounts of Ca and Mg. Also, model predictions of plateau zones, formed by interaction with the background groundwater, in general agreed satisfactorily with the observations. Transport of K was simulated over a period of 800 days due to a substantially attenuation in the aquifer. The observed and the predicted breakthrough curves showed a reasonable accordance taking the duration of the experiment into account. However, some discrepancies were observed probably caused by the revealed non-ideal exchange behaviour of K +.

Why do seif dunes meander?

NASA Astrophysics Data System (ADS)

Kryger, Mateusz; Bubenzer, Olaf; Parteli, Eric

2017-04-01

Seif dunes - which develop in the absence of vegetation and elongate in the resultant sand transport direction - are the prevailing dune type in many deserts of Earth and Mars and display a meandering shape that has challenged geomorphologists for decades. Understanding the factors controlling seif dune morphology may have impact for a broad range of scientific areas, in particular in the investigation of planetary wind regimes, as dune shape is primarily affected by wind directionality. Sand roses of areas hosting seif dunes display, in general, two main wind directions that form a divergence angle larger than 90˚ . Indeed, theory of dune formation predicts that longitudinal alignment of aeolian bedforms occurs under obtuse bimodal winds, a prediction that has been confirmed by field observations and numerical simulations of aeolian dunes, as well as by experiments on subaqueous bedforms. However, numerical simulations and water tank experiments performed under conditions of bimodal flows could never reproduce one of the most salient characteristics of the seif dune shape, which is its meandering. Instead, longitudinal dunes produced in such simulations and experiments display an unrealistic straight shape, which elongates into the resultant transport trend without developing the sinuous morphology of the seif dunes. Here we show, by means of morphodynamic modeling of aeolian sediment transport and dune formation under directionally varying flows, that the meandering shape of seif dunes can be explained by the action of subordinated sand-moving winds, which occur in addition to both main wind components of the bimodal wind. Because such subordinated winds - inherent to most measured sand roses of seif dune fields - are associated with transport rates much smaller than the sand flux values of the main bimodal wind components - they have been long thought to be negligible for dune shape. However, our simulations show that meandering may be caused by a single secondary wind component in the sand rose with transport rate of about 1/5 of the flux due to the bimodal wind components. To verify our model we calculate dune formation using the sand rose of the seif dune field in Bir Lahfan, Sinai, and find good quantitative agreement between the shape of seif dunes in this field and the dune morphology obtained in the simulations. Our simulations suggest that meandering seif dunes constitute a dune type produced by multimodal wind systems and cannot form under (strictly) bimodal wind regimes.

Analysis and Simulation of Near-Field Wave Motion Data from the Source Physics Experiment Explosions

DTIC Science & Technology

2011-09-01

understanding and ability to model explosively generated seismic waves, particularly S-waves. The first SPE explosion (SPE1) consisted of a 100 kg shot at a...depth of 60 meters in granite (Climax Stock). The shot was well- recorded by an array of over 150 instruments, including both near-field wave motion...measurements as well as far- field seismic measurements. This paper focuses on measurements and modeling of the near-field data. A complimentary

Slat Cove Noise Modeling: A Posteriori Analysis of Unsteady RANS Simulations

NASA Technical Reports Server (NTRS)

Choudhari, Meelan; Khorrami, Mehdi R.; Lockard, David P.; Atkins, Harold L.; Lilley, Geoffrey M.

2002-01-01

A companion paper by Khorrami et al demonstrates the feasibility of simulating the (nominally) self-sustained, large-scale unsteadiness within the leading-edge slat-cove region of multi-element airfoils using unsteady Reynolds-Averaged Navier-Stokes (URANS) equations, provided that the turbulence production term in the underlying two-equation turbulence model is switched off within the cove region. In conjunction with a FfowesWilliams-Hawkings solver, the URANS computations were shown to capture the dominant portion of the acoustic spectrum attributed to slat noise, as well as reproducing the increased intensity of slat cove motions (and, correspondingly, far-field noise as well) at the lower angles of attack. This paper examines that simulation database, augmented by additional simulations, with the objective of transitioning this apparent success to aeroacoustic predictions in an engineering context. As a first step towards this goal, the simulated flow and acoustic fields are compared with experiment and simplified analytical model. Rather intense near-field fluctuations in the simulated flow are found to be associated with unsteady separation along the slat bottom surface, relatively close to the slat cusp. Accuracy of the laminar-cove simulations in this near-wall region is raised to be an open issue. The adjoint Green's function approach is also explored in an attempt to identify the most efficient noise source locations.

Dynamic process of high-current vacuum arc with consideration of magnetic field delay: numerical simulation and comparisons with the experiments

NASA Astrophysics Data System (ADS)

Yang, Dingge; Wang, Lijun; Jia, Shenli; Huo, Xintao; Zhang, Ling; Liu, Ke; Shi, Zongqian

2009-03-01

Based on a two-dimensional magnetohydrodynamic model, the dynamic process in a high-current vacuum arc (as in a high-power circuit breaker) was simulated and analysed. A half-wave of sinusoidal current was represented as a series of discrete steps, rather than as a continuous wave. The simulation was done at each step, i.e. at each of the discrete current values. In the simulation, the phase delay by which the axial magnetic field lags the current was taken into account. The curves which represent the variation of arc parameters (such as electron temperature) look sinusoidal, but the parameter values at a discrete moment in the second 1/4 cycle are smaller than those at the corresponding moment in the first 1/4 cycle (although the currents are equal at these two moments). This is perhaps mainly due to the magnetic field delay. In order to verify the correctness of the simulation, the simulation results were compared in part with the experimental results. It was seen from the experimental results that the arc column was darker but more uniform in the second 1/4 cycle than in the first 1/4 cycle, in agreement with the simulation results.

Emission and Chemical Transformation of Biogenic Volatile Organic Compounds (echo)

NASA Astrophysics Data System (ADS)

Koppmann, R.; Hoffmann, T.; Kesselmeier, J.; Schatzmann, M.

Forests are complex sources of biogenic volatile organic compounds (VOC) in the planetary boundary layer. The impact of biogenic VOC on tropospheric photochem- istry, air quality, and the formation of secondary products affects our climate on a regional and global scale but is far from being understood. A considerable lack of knowledge exists concerning a forest stand as a net source of reactive trace com- pounds, which are transported directly into the planetary boundary layer (PBL). In particular, little is known about the amounts of VOC which are processed within the canopy. The goal of ECHO, which is presented in this poster, is to investigate these questions and to improve our understanding of biosphere-atmosphere interactions and their effects on the PBL. The investigation of emissions, chemical processing and vertical transport of biogenic VOC will be carried out in and above a mixed forest stand in Jülich, Germany. A large set of trace gases, free radicals and meteorologi- cal parameters will be measured at different heights in and above the canopy, covering concentrations of VOC, CO, O3, organic nitrates und NOx as well as organic aerosols. For the first time concentration profiles of OH, HO2, RO2 und NO3 radicals will be measured as well together with the actinic UV radiation field and photolysis frequen- cies of all relevant radical precursors (O3, NO2, peroxides, oxygenated VOC). The different tasks of the field experiments will be supported by simulation experiments investigating the primary emission and the uptake of VOC by the plants in stirred tank reactors, soil parameters and soil emissions in lysimeter experiments, and the chem- ical processing of the trace gases as observed in and above the forest stand in the atmosphere simulation chamber SAPHIR. The planning and interpretation of the field experiments is supported by simulations of the field site in a wind tunnel.

An Observing System Simulation Experiment Approach to Meteorological Network Assessment

NASA Astrophysics Data System (ADS)

Abbasnezhadi, K.; Rasmussen, P. F.; Stadnyk, T.; Boluwade, A.

2016-12-01

A proper knowledge of the spatiotemporal distribution of rainfall is important in order to conduct a mindful investigation of water movement and storage throughout a catchment. Currently, the most accurate precipitation information available for the remote Boreal ecozones of northern Manitoba is coming from the Canadian Precipitation Analysis (CaPA) data assimilation system. Throughout the Churchill River Basin (CRB), CaPA still does not have the proper skill due to the limited number of weather stations. A new approach to experimental network design was investigated based on the concept of Observing System Simulation Experiment (OSSE). The OSSE-based network assessment procedure which simulates the CaPA system provides a scientific and hydrologically significant tool to assess the sensitivity of CaPA precipitation analysis to observation network density throughout the CRB. To simulate CaPA system, synthetic background and station data were simulated, respectively, by adding spatially uncorrelated and correlated Gaussian noises to an assumingly true daily weather field synthesized by a gridded precipitation generator which simulates CaPA data. Given the true reference field on one hand, and a set of pseudo-CaPA analyses associated with different network realizations on the other hand, a WATFLOOD hydrological model was employed to compare the modeled runoff. The simulations showed that as network density increases, the accuracy of CaPA precipitation products improves up to a certain limit beyond which adding more stations to the network does not result in further accuracy.

Simulating Bioremediation of Chloroethenes in a Fractured Rock Aquifer.

NASA Astrophysics Data System (ADS)

Curtis, G. P.

2016-12-01

Reactive transport simulations are being conducted to synthesize the results of a field experiment on the enhanced bioremediation of chloroethenes in a heterogeneous fractured-rock aquifer near West Trenton, NJ. The aquifer consists of a sequence of dipping mudstone beds, with water-conducting bedding-plane fractures separated by low-permeability rock where transport is diffusion-limited. The enhanced bioremediation experiment was conducted by injecting emulsified vegetable oil as an electron donor (EOS™) and a microbial consortium (KB1™) that contained dehalococcoides ethenogenes into a fracture zone that had maximum trichloroethene (TCE) concentrations of 84µM. TCE was significantly biodegraded to dichloroethene, chloroethene and ethene or CO2 at the injection well and at a downgradient well. The results also show the concomitant reduction of Fe(III) and S(6) and the production of methane . The results were used to calibrate transport models for quantifying the dominant mass-removal mechanisms. A nonreactive transport model was developed to simulate advection, dispersion and matrix diffusion of bromide and deuterium tracers present in the injection solution. This calibrated model matched tracer concentrations at the injection well and a downgradient observation well and demonstrated that matrix diffusion was a dominant control on tracer transport. A reactive transport model was developed to extend the nonreactive transport model to simulate the microbially mediated sequential dechlorination reactions, reduction of Fe(III) and S(6), and methanogenesis. The reactive transport model was calibrated to concentrations of chloride, chloroethenes, pH, alkalinity, redox-sensitive species and major ions, to estimate key biogeochemical kinetic parameters. The simulation results generally match the diverse set of observations at the injection and observation wells throughout the three year experiment. In addition, the observations and model simulations indicate that a significant pool of TCE that was initially sorbed to either the fracture surfaces or in the matrix was degraded during the field experiment. The calibrated reactive transport model will be used to quantify the extent of chloroethene mass removal from a range of hypothetical aquifers.

An adaptive time-stepping strategy for solving the phase field crystal model

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

Zhang, Zhengru, E-mail: zrzhang@bnu.edu.cn; Ma, Yuan, E-mail: yuner1022@gmail.com; Qiao, Zhonghua, E-mail: zqiao@polyu.edu.hk

2013-09-15

In this work, we will propose an adaptive time step method for simulating the dynamics of the phase field crystal (PFC) model. The numerical simulation of the PFC model needs long time to reach steady state, and then large time-stepping method is necessary. Unconditionally energy stable schemes are used to solve the PFC model. The time steps are adaptively determined based on the time derivative of the corresponding energy. It is found that the use of the proposed time step adaptivity cannot only resolve the steady state solution, but also the dynamical development of the solution efficiently and accurately. Themore » numerical experiments demonstrate that the CPU time is significantly saved for long time simulations.« 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.

Antenna design for propagating spin wave spectroscopy in ferromagnetic thin films

NASA Astrophysics Data System (ADS)

Zhang, Yan; Yu, Ting; Chen, Ji-lei; Zhang, You-guang; Feng, Jian; Tu, Sa; Yu, Haiming

2018-03-01

In this paper, we investigate the characteristics of antenna for propagating-spin-wave-spectroscopy (PSWS) experiment in ferromagnetic thin films. Firstly, we simulate the amplitude and phase distribution of the high-frequency magnetic field around antenna by high frequency structure simulator (HFSS). And then k distribution of the antenna is obtained by fast Fourier transformation (FFT). Furthermore, three kinds of antenna designs, i.e. micro-strip line, coplanar waveguide (CPW), loop, are studied and compared. How the dimension parameter of antenna influence the corresponding high-frequency magnetic field amplitude and k distribution are investigated in details.

A statistical simulation model for field testing of non-target organisms in environmental risk assessment of genetically modified plants.

PubMed

Goedhart, Paul W; van der Voet, Hilko; Baldacchino, Ferdinando; Arpaia, Salvatore

2014-04-01

Genetic modification of plants may result in unintended effects causing potentially adverse effects on the environment. A comparative safety assessment is therefore required by authorities, such as the European Food Safety Authority, in which the genetically modified plant is compared with its conventional counterpart. Part of the environmental risk assessment is a comparative field experiment in which the effect on non-target organisms is compared. Statistical analysis of such trials come in two flavors: difference testing and equivalence testing. It is important to know the statistical properties of these, for example, the power to detect environmental change of a given magnitude, before the start of an experiment. Such prospective power analysis can best be studied by means of a statistical simulation model. This paper describes a general framework for simulating data typically encountered in environmental risk assessment of genetically modified plants. The simulation model, available as Supplementary Material, can be used to generate count data having different statistical distributions possibly with excess-zeros. In addition the model employs completely randomized or randomized block experiments, can be used to simulate single or multiple trials across environments, enables genotype by environment interaction by adding random variety effects, and finally includes repeated measures in time following a constant, linear or quadratic pattern in time possibly with some form of autocorrelation. The model also allows to add a set of reference varieties to the GM plants and its comparator to assess the natural variation which can then be used to set limits of concern for equivalence testing. The different count distributions are described in some detail and some examples of how to use the simulation model to study various aspects, including a prospective power analysis, are provided.

A statistical simulation model for field testing of non-target organisms in environmental risk assessment of genetically modified plants

PubMed Central

Goedhart, Paul W; van der Voet, Hilko; Baldacchino, Ferdinando; Arpaia, Salvatore

2014-01-01

Genetic modification of plants may result in unintended effects causing potentially adverse effects on the environment. A comparative safety assessment is therefore required by authorities, such as the European Food Safety Authority, in which the genetically modified plant is compared with its conventional counterpart. Part of the environmental risk assessment is a comparative field experiment in which the effect on non-target organisms is compared. Statistical analysis of such trials come in two flavors: difference testing and equivalence testing. It is important to know the statistical properties of these, for example, the power to detect environmental change of a given magnitude, before the start of an experiment. Such prospective power analysis can best be studied by means of a statistical simulation model. This paper describes a general framework for simulating data typically encountered in environmental risk assessment of genetically modified plants. The simulation model, available as Supplementary Material, can be used to generate count data having different statistical distributions possibly with excess-zeros. In addition the model employs completely randomized or randomized block experiments, can be used to simulate single or multiple trials across environments, enables genotype by environment interaction by adding random variety effects, and finally includes repeated measures in time following a constant, linear or quadratic pattern in time possibly with some form of autocorrelation. The model also allows to add a set of reference varieties to the GM plants and its comparator to assess the natural variation which can then be used to set limits of concern for equivalence testing. The different count distributions are described in some detail and some examples of how to use the simulation model to study various aspects, including a prospective power analysis, are provided. PMID:24834325

Modelling the pelagic nitrogen cycle and vertical particle flux in the Norwegian sea

NASA Astrophysics Data System (ADS)

Haupt, Olaf J.; Wolf, Uli; v. Bodungen, Bodo

1999-02-01

A 1D Eulerian ecosystem model (BIological Ocean Model) for the Norwegian Sea was developed to investigate the dynamics of pelagic ecosystems. The BIOM combines six biochemical compartments and simulates the annual nitrogen cycle with specific focus on production, modification and sedimentation of particles in the water column. The external forcing and physical framework is based on a simulated annual cycle of global radiation and an annual mixed-layer cycle derived from field data. The vertical resolution of the model is given by an exponential grid with 200 depth layers, allowing specific parameterization of various sinking velocities, breakdown of particles and the remineralization processes. The aim of the numerical experiments is the simulation of ecosystem dynamics considering the specific biogeochemical properties of the Norwegian Sea, for example the life cycle of the dominant copepod Calanus finmarchicus. The results of the simulations were validated with field data. Model results are in good agreement with field data for the lower trophic levels of the food web. With increasing complexity of the organisms the differences increase between simulated processes and field data. Results of the numerical simulations suggest that BIOM is well adapted to investigate a physically controlled ecosystem. The simulation of grazing controlled pelagic ecosystems, like the Norwegian Sea, requires adaptations of parameterization to the specific ecosystem features. By using seasonally adaptation of the most sensible processes like utilization of light by phytoplankton and grazing by zooplankton results were greatly improved.

Study on temperature distribution effect on internal charging by computer simulation

NASA Astrophysics Data System (ADS)

Yi, Zhong

2016-07-01

Internal charging (or deep dielectric charging) is a great threaten to spacecraft. Dielectric conductivity is an important parameter for internal charging and it is sensitive to temperature. Considering the exposed dielectric outside a spacecraft may experience a relatively large temperature range, temperature effect can't be ignored in internal charging assessment. We can see some reporters on techniques of computer simulation of internal charging, but the temperature effect has not been taken into accounts. In this paper, we realize the internal charging simulation with consideration of temperature distribution inside the dielectric. Geant4 is used for charge transportation, and a numerical method is proposed for solving the current reservation equation. The conductivity dependences on temperature, radiation dose rate and intense electric field are considered. Compared to the case of uniform temperature, the internal charging with temperature distribution is more complicated. Results show that temperature distribution can cause electric field distortion within the dielectric. This distortion refers to locally considerable enlargement of electric field. It usually corresponds to the peak electric field which is critical for dielectric breakdown judgment. The peak electric field can emerge inside the dielectric, or appear on the boundary. This improvement of internal charging simulation is beneficial for the assessment of internal charging under multiple factors.

Piezoelectric and optical setup to measure an electrical field: application to the longitudinal near-field generated by a tapered coax.

PubMed

Euphrasie, S; Vairac, P; Cretin, B; Lengaigne, G

2008-03-01

We propose a new setup to measure an electrical field in one direction. This setup is made of a piezoelectric sintered lead zinconate titanate film and an optical interferometric probe. We used this setup to investigate how the shape of the extremity of a coaxial cable influences the longitudinal electrical near-field generated by it. For this application, we designed our setup to have a spatial resolution of 100 microm in the direction of the electrical field. Simulations and experiments are presented.

Three-dimensional, time-dependent simulation of free-electron lasers with planar, helical, and elliptical undulators

NASA Astrophysics Data System (ADS)

Freund, H. P.; van der Slot, P. J. M.; Grimminck, D. L. A. G.; Setija, I. D.; Falgari, P.

2017-02-01

Free-electron lasers (FELs) have been built ranging in wavelength from long-wavelength oscillators using partial wave guiding through ultraviolet through hard x-ray that are either seeded or start from noise. In addition, FELs that produce different polarizations of the output radiation ranging from linear through elliptic to circular polarization are currently under study. In this paper, we develop a three-dimensional, time-dependent formulation that is capable of modeling this large variety of FEL configurations including different polarizations. We employ a modal expansion for the optical field, i.e., a Gaussian expansion with variable polarization for free-space propagation. This formulation uses the full Newton-Lorentz force equations to track the particles through the optical and magnetostatic fields. As a result, arbitrary three-dimensional representations for different undulator configurations are implemented, including planar, helical, and elliptical undulators. In particular, we present an analytic model of an APPLE-II undulator to treat arbitrary elliptical polarizations, which is used to treat general elliptical polarizations. To model oscillator configurations, and allow propagation of the optical field outside the undulator and interact with optical elements, we link the FEL simulation with the optical propagation code OPC. We present simulations using the APPLE-II undulator model to produce elliptically polarized output radiation, and present a detailed comparison with recent experiments using a tapered undulator configuration at the Linac Coherent Light Source. Validation of the nonlinear formation is also shown by comparison with experimental results obtained in the Sorgente Pulsata Auto-amplificata di Radiazione Coerente SASE FEL experiment at ENEA Frascati, a seeded tapered amplifier experiment at Brookhaven National Laboratory, and the 10 kW upgrade oscillator experiment at the Thomas Jefferson National Accelerator Facility.

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.

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.

Evaluation of post-wildfire runoff and erosion on semiarid ecological sites

Treesearch

Ginger B. Paige; Jeffry J. Stone; D. Phillip Guertin

2005-01-01

Field studies are being conducted to quantify runoff and erosion rates following wildfires in semiarid rangelands. Rainfall simulator experiments were conducted on two grassland sites and one oak woodland site in Southern Arizona immediately following wildfires in 2002 and 2003. The experiments applied a range of rainfall intensities between 50 and 180 mm/h....

Using Technology to Teach Content in a Student Teaching Experience (and as a First Year Teacher)

ERIC Educational Resources Information Center

Lemon, Cheryl

2005-01-01

This article describes how Cheryl Lemon, a biology teacher at Gateway Regional High School, integrated technology into appropriate curricular contexts during her field experiences as a preservice teacher. She used Web-based simulations, a projection screen, an interactive white board, and Flash-based interactivity in conjunction with direct…

Models of volcanic eruption hazards

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

Wohletz, K.H.

1992-01-01

Volcanic eruptions pose an ever present but poorly constrained hazard to life and property for geothermal installations in volcanic areas. Because eruptions occur sporadically and may limit field access, quantitative and systematic field studies of eruptions are difficult to complete. Circumventing this difficulty, laboratory models and numerical simulations are pivotal in building our understanding of eruptions. For example, the results of fuel-coolant interaction experiments show that magma-water interaction controls many eruption styles. Applying these results, increasing numbers of field studies now document and interpret the role of external water eruptions. Similarly, numerical simulations solve the fundamental physics of high-speed fluidmore » flow and give quantitative predictions that elucidate the complexities of pyroclastic flows and surges. A primary goal of these models is to guide geologists in searching for critical field relationships and making their interpretations. Coupled with field work, modeling is beginning to allow more quantitative and predictive volcanic hazard assessments.« less

Molecular dynamics simulations of methane hydrate using polarizable force fields

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

Jiang, H.N.; Jordan, K.D.; Taylor, C.E.

2007-06-14

Molecular dynamics simulations of methane hydrate have been carried out using the polarizable AMOEBA and COS/G2 force fields. Properties calculated include the temperature dependence of the lattice constant, the OC and OO radial distribution functions, and the vibrational spectra. Both the AMOEBA and COS/G2 force fields are found to successfully account for the available experimental data, with overall somewhat better agreement with experiment being found for the AMOEBA model. Comparison is made with previous results obtained using TIP4P and SPC/E effective two-body force fields and the polarizable TIP4P-FQ force field, which allows for in-plane polarization only. Significant differences are foundmore » between the properties calculated using the TIP4P-FQ model and those obtained using the other models, indicating an inadequacy of restricting explicit polarization to in-plane onl« less

Models of volcanic eruption hazards

NASA Astrophysics Data System (ADS)

Wohletz, K. H.

Volcanic eruptions pose an ever present but poorly constrained hazard to life and property for geothermal installations in volcanic areas. Because eruptions occur sporadically and may limit field access, quantitative and systematic field studies of eruptions are difficult to complete. Circumventing this difficulty, laboratory models and numerical simulations are pivotal in building our understanding of eruptions. For example, the results of fuel-coolant interaction experiments show that magma-water interaction controls many eruption styles. Applying these results, increasing numbers of field studies now document and interpret the role of external water eruptions. Similarly, numerical simulations solve the fundamental physics of high-speed fluid flow and give quantitative predictions that elucidate the complexities of pyroclastic flows and surges. A primary goal of these models is to guide geologists in searching for critical field relationships and making their interpretations. Coupled with field work, modeling is beginning to allow more quantitative and predictive volcanic hazard assessments.

Simulating the volatilization of solvents in unsaturated soils during laboratory and field infiltration experiments

USGS Publications Warehouse

Cho, H. Jean; Jaffe, Peter R.; Smith, James A.

1993-01-01

This paper describes laboratory and field experiments which were conducted to study the dynamics of trichloroethylene (TCE) as it volatilized from contaminated groundwater and diffused in the presence of infiltrating water through the unsaturated soil zone to the land surface. The field experiments were conducted at the Picatinny Arsenal, which is part of the United States Geological Survey Toxic Substances Hydrology Program. In both laboratory and field settings the gas and water phase concentrations of TCE were not in equilibrium during infiltration. Gas-water mass transfer rate constants were calibrated to the experimental data using a model in which the water phase was treated as two phases: a mobile water phase and an immobile water phase. The mass transfer limitations of a volatile organic compound between the gas and liquid phases were described explicitly in the model. In the laboratory experiment the porous medium was nonsorbing, and water infiltration rates ranged from 0.076 to 0.28 cm h−1. In the field experiment the water infiltration rate was 0.34 cm h−1, and sorption onto the soil matrix was significant. The laboratory-calibrated gas-water mass transfer rate constant is 3.3×10−4 h−1 for an infiltration rate of 0.076 cm h−1 and 1.4×10−3 h−1 for an infiltration rate of 0.28 cm h−1. The overall mass transfer rate coefficients, incorporating the contribution of mass transfer between mobile and immobile water phases and the variation of interfacial area with moisture content, range from 3×10−4 h−1 to 1×10−2 h−1. A power law model relates the gas-water mass transfer rate constant to the infiltration rate and the fraction of the water phase which is mobile. It was found that the results from the laboratory experiments could not be extrapolated to the field. In order to simulate the field experiment the very slow desorption of TCE from the soil matrix was incorporated into the mathematical model. When desorption from the soil matrix was added to the model, the calibrated gas-water mass transfer rate constant is 2 orders of magnitude lower than that predicted using the power law model developed for the nonsorbing laboratory soil.

Gyrokinetic simulation of driftwave instability in field-reversed configuration

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

Fulton, D. P., E-mail: dfulton@trialphaenergy.com; University of California, Irvine, California 92697; Lau, C. K.

2016-05-15

Following the recent remarkable progress in magnetohydrodynamic (MHD) stability control in the C-2U advanced beam driven field-reversed configuration (FRC), turbulent transport has become one of the foremost obstacles on the path towards an FRC-based fusion reactor. Significant effort has been made to expand kinetic simulation capabilities in FRC magnetic geometry. The recently upgraded Gyrokinetic Toroidal Code (GTC) now accommodates realistic magnetic geometry from the C-2U experiment at Tri Alpha Energy, Inc. and is optimized to efficiently handle the FRC's magnetic field line orientation. Initial electrostatic GTC simulations find that ion-scale instabilities are linearly stable in the FRC core for realisticmore » pressure gradient drives. Estimated instability thresholds from linear GTC simulations are qualitatively consistent with critical gradients determined from experimental Doppler backscattering fluctuation data, which also find ion scale modes to be depressed in the FRC core. Beyond GTC, A New Code (ANC) has been developed to accurately resolve the magnetic field separatrix and address the interaction between the core and scrape-off layer regions, which ultimately determines global plasma confinement in the FRC. The current status of ANC and future development targets are discussed.« less

Bioelectromagnetic effects of EMP: Preliminary findings

NASA Astrophysics Data System (ADS)

Aldrich, T. E.; Easterly, C. E.; Gailey, P. C.; Hamilton, C. B.

1988-06-01

Facilities to simulate electromagnetic pulses (EMPs) are used to test military equipment and electrical communications devices for resistance to the effects of an EMP caused by an upper-atmospheric nuclear detonation. The rapid rise time and high field strengths (0.1 to 50 kV/m) of an EMP distinguish it from other electromagnetic phenomena. Certain types of EMP simulators also expose facility operators and members of the public to electromagnetic fields of varying intensity as do other natural sources such as the fields produced near a lightning bolt. Limited biological effects data have been collected to assess the potential EMP health hazards to humans. Evidence from the available database does not establish that EMPs represent either an occupational or a public health hazard. A critique is presented of the EMP research published to date in order to explore its limitations and similarities with related outcome experience from other electromagnetic field research. Laboratory research and multiple years of observations on workers in existing EMP manufacturing and simulation facilities suggest that there are no acute or short-term health effects. The occupational exposure guideline for EMP is 100 kV/m, which is far in excess of usual exposures with EMP simulators.

Gyrokinetic simulation of driftwave instability in field-reversed configuration

NASA Astrophysics Data System (ADS)

Fulton, D. P.; Lau, C. K.; Schmitz, L.; Holod, I.; Lin, Z.; Tajima, T.; Binderbauer, M. W.

2016-05-01

Following the recent remarkable progress in magnetohydrodynamic (MHD) stability control in the C-2U advanced beam driven field-reversed configuration (FRC), turbulent transport has become one of the foremost obstacles on the path towards an FRC-based fusion reactor. Significant effort has been made to expand kinetic simulation capabilities in FRC magnetic geometry. The recently upgraded Gyrokinetic Toroidal Code (GTC) now accommodates realistic magnetic geometry from the C-2U experiment at Tri Alpha Energy, Inc. and is optimized to efficiently handle the FRC's magnetic field line orientation. Initial electrostatic GTC simulations find that ion-scale instabilities are linearly stable in the FRC core for realistic pressure gradient drives. Estimated instability thresholds from linear GTC simulations are qualitatively consistent with critical gradients determined from experimental Doppler backscattering fluctuation data, which also find ion scale modes to be depressed in the FRC core. Beyond GTC, A New Code (ANC) has been developed to accurately resolve the magnetic field separatrix and address the interaction between the core and scrape-off layer regions, which ultimately determines global plasma confinement in the FRC. The current status of ANC and future development targets are discussed.

Oceanic response to tropical cyclone `Phailin' in the Bay of Bengal

NASA Astrophysics Data System (ADS)

Pant, V.; Prakash, K. R.

2016-02-01

Vertical mixing largely explains surface cooling induced by Tropical Cyclones (TCs). However, TC-induced upwelling of deeper waters plays an important role as it partly balances the warming of subsurface waters induced by vertical mixing. Below 100 m, vertical advection results in cooling that persists for a few days after the storm. The present study investigates the integrated ocean response to tropical cyclone `Phaillin' (10-14 October 2013) in the Bay of Bengal (BoB) through both coupled and stand-alone ocean-atmosphere models. Two numerical experiments with different coupling configurations between Regional Ocean Modelling System (ROMS) and Weather Research and Forecasting (WRF) were performed to investigate the impact of Phailin cyclone on the surface and sub-surface oceanic parameters. In the first experiment, ocean circulation model ROMS observe surface wind forcing from a mesoscale atmospheric model (WRF with nested damin setup), while rest forcing parameters are supplied to ROMS from NCEP data. In the second experiment, all surface forcing data to ROMS directly comes from WRF. The modeling components and data fields exchanged between atmospheric and oceanic models are described. The coupled modeling system is used to identify model sensitivity by exchanging prognostic variable fields between the two model components during simulation of Phallin cyclone (10-14 October 2013) in the BoB.In general, the simulated Phailin cyclone track and intensities agree well with observations in WRF simulations. Further, the inter-comparison between stand-alone and coupled model simulations validated against observations highlights better performance of coupled modeling system in simulating the oceanic conditions during the Phailin cyclone event.

Theory and simulation of an inverse free-electron laser experiment

NASA Astrophysics Data System (ADS)

Gou, S. K.; Bhattacharjee, A.; Fang, J.-M.; Marshall, T. C.

1997-03-01

An experimental demonstration of the acceleration of electrons using a high-power CO2 laser interacting with a relativistic electron beam moving along a wiggler has been carried out at the Accelerator Test Facility of the Brookhaven National Laboratory [Phys. Rev. Lett. 77, 2690 (1996)]. The data generated by this inverse free-electron-laser (IFEL) experiment are studied by means of theory and simulation. Included in the simulations are such effects as: a low-loss metallic waveguide with a dielectric coating on the walls; multi-mode coupling due to self-consistent interaction between the electrons and the optical wave; space charge; energy spread of the electrons; and arbitrary wiggler-field profile. Two types of wiggler profile are considered: a linear taper of the period, and a step-taper of the period. (The period of the wiggler is ˜3 cm, its magnetic field is ˜1 T, and the wiggler length is 0.47 m.) The energy increment of the electrons (˜1-2%) is analyzed in detail as a function of laser power, wiggler parameters, and the initial beam energy (˜40 MeV). At a laser power level ˜0.5 Gw, the simulation results on energy gain are in reasonable agreement with the experimental results. Preliminary results on the electron energy distribution at the end of the IFEL are presented. Whereas the experiment produces a near-monotone distribution of electron energies with the peak shifted to higher energy, the simulation shows a more structured and non-monotonic distribution at the end of the wiggler. Effects that may help reconcile these differences are considered.

Optical simulation of flying targets using physically based renderer

NASA Astrophysics Data System (ADS)

Cheng, Ye; Zheng, Quan; Peng, Junkai; Lv, Pin; Zheng, Changwen

2018-02-01

The simulation of aerial flying targets is widely needed in many fields. This paper proposes a physically based method for optical simulation of flying targets. In the first step, three-dimensional target models are built and the motion speed and direction are defined. Next, the material of the outward appearance of a target is also simulated. Then the illumination conditions are defined. After all definitions are given, all settings are encoded in a description file. Finally, simulated results are generated by Monte Carlo ray tracing in a physically based renderer. Experiments show that this method is able to simulate materials, lighting and motion blur for flying targets, and it can generate convincing and highquality simulation results.

Numerical Simulation Applications in the Design of EGS Collab Experiment 1

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

Johnston, Henry; White, Mark D.; Fu, Pengcheng

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level (4,850 feet below ground surface) in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, locatedmore » at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO's flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper describes specific numerical simulations supporting the design of Experiment 1, a field test involving hydraulic stimulation of two fractures from notched sections of the injection borehole and fluid circulation between sub-horizontal injection and production boreholes in each fracture individually and collectively, including the circulation of chilled water. Whereas the mine drift allows for accurate and close placement of monitoring instrumentation to the developed fractures, active ventilation in the drift cooled the rock mass within the experimental volume. Numerical simulations were executed to predict seismic events and magnitudes during stimulation, initial fracture orientations for smooth horizontal wellbores, pressure requirements for fracture initiation from notched wellbores, fracture propagation during stimulation between the injection and production boreholes, tracer travel times between the injection and production boreholes, produced fluid temperatures with chilled water injections, pressure limits on fluid circulation to avoid fracture growth, temperature environment surrounding the 4850 Level drift, and fracture propagation within a stress field altered by drift excavation, ventilation cooling, and dewatering.« less

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.

Thermal denaturing of mutant lysozyme with both the OPLSAA and the CHARMM force fields.

PubMed

Eleftheriou, Maria; Germain, Robert S; Royyuru, Ajay K; Zhou, Ruhong

2006-10-18

Biomolecular simulations enabled by massively parallel supercomputers such as BlueGene/L promise to bridge the gap between the currently accessible simulation time scale and the experimental time scale for many important protein folding processes. In this study, molecular dynamics simulations were carried out for both the wild-type and the mutant hen lysozyme (TRP62GLY) to study the single mutation effect on lysozyme stability and misfolding. Our thermal denaturing simulations at 400-500 K with both the OPLSAA and the CHARMM force fields show that the mutant structure is indeed much less stable than the wild-type, which is consistent with the recent urea denaturing experiment (Dobson et al. Science 2002, 295, 1719-1722; Nature 2003, 424, 783-788). Detailed results also reveal that the single mutation TRP62GLY first induces the loss of native contacts in the beta-domain region of the lysozyme protein at high temperatures, and then the unfolding process spreads into the alpha-domain region through Helix C. Even though the OPLSAA force field in general shows a more stable protein structure than does the CHARMM force field at high temperatures, the two force fields examined here display qualitatively similar results for the misfolding process, indicating that the thermal denaturing of the single mutation is robust and reproducible with various modern force fields.

Recirculating planar magnetrons: simulations and experiment

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

Franzi, Matthew; Gilgenbach, Ronald; French, David

2011-07-01

The Recirculating Planar Magnetron (RPM) is a novel crossed-field device whose geometry is expected to reduce thermal load, enhance current yield as well as ease the geometric limitations in scaling to high RF frequencies as compared to the conventional cylindrical magnetrons. The RPM has two different adaptations: A. Axial B field and radial E field; B. Radial B field and axial E field. The preliminary configuration (A) to be used in experiments at the University of Michigan consists of two parallel planar sections which join on either end by cylindrical regions to form a concentric extruded ellipse. Similar to conventionalmore » magnetrons, a voltage across the AK gap in conjunction with an axial magnetic field provides the electrons with an ExB drift. The device is named RPM because the drifting electrons recirculate from one planar region to the other. The drifting electrons interact with the resonantly tuned slow wave structure on the anode causing spoke formation. These electron spokes drive a RF electric field in the cavities from which RF power may be extracted to Waveguides. The RPM may be designed in either a conventional configuration with the anode on the outside, for simplified extraction, or as an inverted magnetron with the anode at the inner conductor, for fast start-up. Currently, experiments at the Pulsed Power and Microwave Laboratory at the University of Michigan are in the setup and design phase. A conventional RPM with planar cavities is to be installed on the Michigan Electron Long Beam Accelerator (MELBA) and is anticipated to operate at -200kV, 0.2T with a beam current of 1-10 kA at 1GHz. The conventional RPM consists of 12 identical planar cavities, 6 on each planar side, with simulated quality factor of 20.« less

A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants

PubMed Central

Ewen, James P.; Gattinoni, Chiara; Thakkar, Foram M.; Morgan, Neal; Spikes, Hugh A.; Dini, Daniele

2016-01-01

For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield unique insights into the atomic-scale structure and friction of lubricants and additives; however, the accuracy of the results depend on the chosen force-field. In this study, we demonstrate that the use of an accurate, all-atom force-field is critical in order to; (i) accurately predict important properties of long-chain, linear molecules; and (ii) reproduce experimental friction behavior of multi-component tribological systems. In particular, we focus on n-hexadecane, an important model lubricant with a wide range of industrial applications. Moreover, simulating conditions common in tribological systems, i.e., high temperatures and pressures (HTHP), allows the limits of the selected force-fields to be tested. In the first section, a large number of united-atom and all-atom force-fields are benchmarked in terms of their density and viscosity prediction accuracy of n-hexadecane using equilibrium molecular dynamics (EMD) simulations at ambient and HTHP conditions. Whilst united-atom force-fields accurately reproduce experimental density, the viscosity is significantly under-predicted compared to all-atom force-fields and experiments. Moreover, some all-atom force-fields yield elevated melting points, leading to significant overestimation of both the density and viscosity. In the second section, the most accurate united-atom and all-atom force-field are compared in confined NEMD simulations which probe the structure and friction of stearic acid adsorbed on iron oxide and separated by a thin layer of n-hexadecane. The united-atom force-field provides an accurate representation of the structure of the confined stearic acid film; however, friction coefficients are consistently under-predicted and the friction-coverage and friction-velocity behavior deviates from that observed using all-atom force-fields and experimentally. This has important implications regarding force-field selection for NEMD simulations of systems containing long-chain, linear molecules; specifically, it is recommended that accurate all-atom potentials, such as L-OPLS-AA, are employed. PMID:28773773

A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants.

PubMed

Ewen, James P; Gattinoni, Chiara; Thakkar, Foram M; Morgan, Neal; Spikes, Hugh A; Dini, Daniele

2016-08-02

For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield unique insights into the atomic-scale structure and friction of lubricants and additives; however, the accuracy of the results depend on the chosen force-field. In this study, we demonstrate that the use of an accurate, all-atom force-field is critical in order to; (i) accurately predict important properties of long-chain, linear molecules; and (ii) reproduce experimental friction behavior of multi-component tribological systems. In particular, we focus on n -hexadecane, an important model lubricant with a wide range of industrial applications. Moreover, simulating conditions common in tribological systems, i.e., high temperatures and pressures (HTHP), allows the limits of the selected force-fields to be tested. In the first section, a large number of united-atom and all-atom force-fields are benchmarked in terms of their density and viscosity prediction accuracy of n -hexadecane using equilibrium molecular dynamics (EMD) simulations at ambient and HTHP conditions. Whilst united-atom force-fields accurately reproduce experimental density, the viscosity is significantly under-predicted compared to all-atom force-fields and experiments. Moreover, some all-atom force-fields yield elevated melting points, leading to significant overestimation of both the density and viscosity. In the second section, the most accurate united-atom and all-atom force-field are compared in confined NEMD simulations which probe the structure and friction of stearic acid adsorbed on iron oxide and separated by a thin layer of n -hexadecane. The united-atom force-field provides an accurate representation of the structure of the confined stearic acid film; however, friction coefficients are consistently under-predicted and the friction-coverage and friction-velocity behavior deviates from that observed using all-atom force-fields and experimentally. This has important implications regarding force-field selection for NEMD simulations of systems containing long-chain, linear molecules; specifically, it is recommended that accurate all-atom potentials, such as L-OPLS-AA, are employed.

[Simulation on remediation of benzene contaminated groundwater by air sparging].

PubMed

Fan, Yan-Ling; Jiang, Lin; Zhang, Dan; Zhong, Mao-Sheng; Jia, Xiao-Yang

2012-11-01

Air sparging (AS) is one of the in situ remedial technologies which are used in groundwater remediation for pollutions with volatile organic compounds (VOCs). At present, the field design of air sparging system was mainly based on experience due to the lack of field data. In order to obtain rational design parameters, the TMVOC module in the Petrasim software package, combined with field test results on a coking plant in Beijing, is used to optimize the design parameters and simulate the remediation process. The pilot test showed that the optimal injection rate was 23.2 m3 x h(-1), while the optimal radius of influence (ROI) was 5 m. The simulation results revealed that the pressure response simulated by the model matched well with the field test results, which indicated a good representation of the simulation. The optimization results indicated that the optimal injection location was at the bottom of the aquifer. Furthermore, simulated at the optimized injection location, the optimal injection rate was 20 m3 x h(-1), which was in accordance with the field test result. Besides, 3 m was the optimal ROI, less than the field test results, and the main reason was that field test reflected the flow behavior at the upper space of groundwater and unsaturated area, in which the width of flow increased rapidly, and became bigger than the actual one. With the above optimized operation parameters, in addition to the hydro-geological parameters measured on site, the model simulation result revealed that 90 days were needed to remediate the benzene from 371 000 microg x L(-1) to 1 microg x L(-1) for the site, and that the opeation model in which the injection wells were progressively turned off once the groundwater around them was "clean" was better than the one in which all the wells were kept operating throughout the remediation process.

Simulation of the 3-D Evolution of Electron Scale Magnetic Reconnection - Motivated by Laboratory Experiments Predictions for MMS

NASA Astrophysics Data System (ADS)

Buechner, J.; Jain, N.; Sharma, A.

2013-12-01

The four s/c of the Magnetospheric Multiscale (MMS) mission, to be launched in 2014, will use the Earth's magnetosphere as a laboratory to study the microphysics of three fundamental plasma processes. One of them is magnetic reconnection, an essentially multi-scale process. While laboratory experiments and past theoretical investigations have shown that important processes necessary to understand magnetic reconnection take place at electron scales the MMS mission for the first time will be able to resolve these scales by in space observations. For the measurement strategy of MMS it is important to make specific predictions of the behavior of current sheets with a thickness of the order of the electron skin depth which play an important role in the evolution of collisionless magnetic reconnection. Since these processes are highly nonlinear and non-local numerical simulation is needed to specify the current sheet evolution. Here we present new results about the nonlinear evolution of electron-scale current sheets starting from the linear stage and using 3-D electron-magnetohydrodynamic (EMHD) simulations. The growth rates of the simulated instabilities compared well with the growth rates obtained from linear theory. Mechanisms and conditions of the formation of flux ropes and of current filamentation will be discussed in comparison with the results of fully kinetic simulations. In 3D the X- and O-point configurations of the magnetic field formed in reconnection planes alternate along the out-of-reconnection-plane direction with the wavelength of the unstable mode. In the presence of multiple reconnection sites, the out-of-plane magnetic field can develop nested structure of quadrupoles in reconnection planes, similar to the 2-D case, but now with variations in the out-of-plane direction. The structures of the electron flow and magnetic field in 3-D simulations will be compared with those in 2-D simulations to discriminate the essentially 3D features. We also discuss the influence of guide fields, as in the magnetopause case and show how the 3-D evolution of an electron current sheet is influenced the strength of the guide field. This is unlike the 2-D case where reconnection takes place only in a plane. This work was partially funded by the Max-Planck/Princeton Center for Plasma Physics and the National Science Foundation.

Monthly mean simulation experiments with a course-mesh global atmospheric model

NASA Technical Reports Server (NTRS)

Spar, J.; Klugman, R.; Lutz, R. J.; Notario, J. J.

1978-01-01

Substitution of observed monthly mean sea-surface temperatures (SSTs) as lower boundary conditions, in place of climatological SSTs, failed to improve the model simulations. While the impact of SST anomalies on the model output is greater at sea level than at upper levels the impact on the monthly mean simulations is not beneficial at any level. Shifts of one and two days in initialization time produced small, but non-trivial, changes in the model-generated monthly mean synoptic fields. No improvements in the mean simulations resulted from the use of either time-averaged initial data or re-initialization with time-averaged early model output. The noise level of the model, as determined from a multiple initial state perturbation experiment, was found to be generally low, but with a noisier response to initial state errors in high latitudes than the tropics.

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.

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

Prediction and Measurement of Temperature Rise Induced by High Intensity Focused Ultrasound in a Tissue-Mimicking Phantom

NASA Astrophysics Data System (ADS)

Lee, Kang Il

2018-06-01

The present study aims to predict the temperature rise induced by high intensity focused ultrasound (HIFU) in soft tissues to assess tissue damage during HIFU thermal therapies. With the help of a MATLAB-based software package developed for HIFU simulation, the HIFU field was simulated by solving the axisymmetric Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation from the frequency-domain perspective, and the HIFU-induced temperature rise in a tissue-mimicking phantom was simulated by solving Pennes' bioheat transfer (BHT) equation. In order to verify the simulation results, we performed in-vitro heating experiments on a tissue-mimicking phantom by using a 1.1-MHz, single-element, spherically focused HIFU transducer. The temperature rise near the focal spot obtained from the HIFU simulator was in good agreement with that from the in-vitro experiments. This confirms that the HIFU simulator based on the KZK and the BHT equations captures the HIFU-induced temperature rise in soft tissues well enough to make it suitable for HIFU treatment planning.

NASA Lewis Research Center combustion MHD experiment

NASA Technical Reports Server (NTRS)

Smith, J. M.

1982-01-01

The MHD power generation experiments were conducted in a high field strength cryomagnet which was adapted from an existing facility. In its original construction, it consisted of 12 high purity aluminum coils pool cooled in a bath of liquid neon. In this configuration, a peak field of 15 tesla was produced. For the present experiments, the center four coils were removed and a 23 cm diameter transverse warm bore tube was inserted to allow the placement of the MHD experiment between the remaining eight coils. In this configuration, a peak field of 6 tesla should be obtainable. The time duration of the experiment is limited by the neon supply which allows on the order of 1 minute of total operating time followed by an 18-hour reliquefaction period. As a result, the experiments are run in a pulsed mode. The run duration for the data presented here was 5 sec. The magnetic field profile along the MHD duct is shown. Since the working fluid is in essence superheated steam, it is easily water quenched at the exit of the diffuser and the components are designed vacuum tight so that the exhaust pipe and demister an be pumped down to simulate the vacuum of outer space.

Research on controlling thermal deformable mirror's influence functions via manipulating thermal fields.

PubMed

Xue, Qiao; Huang, Lei; Hu, Dongxia; Yan, Ping; Gong, Mali

2014-01-10

For thermal deformable mirrors (DMs), the thermal field control is important because it will decide aberration correction effects. In order to better manipulate the thermal fields, a simple water convection system is proposed. The water convection system, which can be applied in thermal field bimetal DMs, shows effective thermal fields and influence-function controlling abilities. This is verified by the simulations and the contrast experiments of two prototypes: one of which utilizes air convection, the other uses water convection. Controlling the thermal fields will greatly promote the influence-function adjustability and aberration correction ability of thermal DMs.

Phase transitions and dynamics of bulk and interfacial water.

PubMed

Franzese, G; Hernando-Martínez, A; Kumar, P; Mazza, M G; Stokely, K; Strekalova, E G; de los Santos, F; Stanley, H E

2010-07-21

New experiments on water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed to offer a suitable interpretation. Detailed simulations suffer from the same problem, where equilibration times at low temperature become extremely long. We show how Monte Carlo simulations and mean field calculations using a tractable model of water help interpret the experimental results. Here we summarize the results for bulk water and investigate the thermodynamic and dynamic properties of supercooled water at an interface.

Enhanced dielectric standoff and mechanical failure in field-structured composites

NASA Astrophysics Data System (ADS)

Martin, James E.; Tigges, Chris P.; Anderson, Robert A.; Odinek, Judy

1999-09-01

We report dielectric breakdown experiments on electric-field-structured composites of high-dielectric-constant BaTiO3 particles in an epoxy resin. These experiments show a significant increase in the dielectric standoff strength perpendicular to the field structuring direction, relative to control samples consisting of randomly dispersed particles. To understand the relation of this observation to microstructure, we apply a simple resistor-short breakdown model to three-dimensional composite structures generated from a dynamical simulation. In this breakdown model the composite material is assumed to conduct primarily through particle contacts, so the simulated structures are mapped onto a resistor network where the center of mass of each particle is a node that is connected to neighboring nodes by resistors of fixed resistance that irreversibly short to perfect conductors when the current reaches a threshold value. This model gives relative breakdown voltages that are in good agreement with experimental results. Finally, we consider a primitive model of the mechanical strength of a field-structured composite material, which is a current-driven, conductor-insulator fuse model. This model leads to a macroscopic fusing behavior and can be related to mechanical failure of the composite.

Adaptive Standard Operating Procedures for Complex Disasters

DTIC Science & Technology

2017-03-01

Developments in Business Simulation and Experiential Learning 33 (2014). 23 Patrick Lagadec and Benjamin Topper, “How Crises Model the Modern World...field of crisis response . Therefore, this experiment supports the argument for implementing the adaptive design proposals. The adaptive SOP enhancement...Kalay. “An Event- Based Model to Simulate Human Behaviour in Built Environments.” Proceedings of the 30th eCAADe Conference 1 (2012). Snowden

The coupling between hydrodynamic and purification efficiencies of ecological porous spur-dike in field drainage ditch

NASA Astrophysics Data System (ADS)

Rao, Lei; Wang, Pei-fang; Dai, Qing-song; Wang, Chao

2018-05-01

In this study, a series of ecological porous spur-dikes are arranged in an experiment channel to simulate a real field drainage ditch. The inside and outside flow fields of spur-dikes are determined by numerical simulations and experimental methods. An Ammonia-Nitrogen (NH3-N) degradation evaluation model is built to calculate the pollution removal rate by coupling with the inner flow field of the porous spur-dikes. The variations of the total pollutant removal rate in the channel are discussed in terms of different porosities and gap distances between spur-dikes and inlet flow velocities. It is indicated that a reasonable parameter matching of the porosity and the gap distance with the flow velocity of the ditch can bring about a satisfactory purification efficiency with a small delivery quantity of ecological porous materials.

Evaluating indoor exposure modeling alternatives for LCA: A case study in the vehicle repair industry

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

Demou, Evangelia; Hellweg, Stefanie; Wilson, Michael P.

2009-05-01

We evaluated three exposure models with data obtained from measurements among workers who use"aerosol" solvent products in the vehicle repair industry and with field experiments using these products to simulate the same exposure conditions. The three exposure models were the: 1) homogeneously-mixed-one-box model, 2) multi-zone model, and 3) eddy-diffusion model. Temporally differentiated real-time breathing zone volatile organic compound (VOC) concentration measurements, integrated far-field area samples, and simulated experiments were used in estimating parameters, such as emission rates, diffusivity, and near-field dimensions. We assessed differences in model input requirements and their efficacy for predictive modeling. The One-box model was not ablemore » to resemble the temporal profile of exposure concentrations, but it performed well concerning time-weighted exposure over extended time periods. However, this model required an adjustment for spatial concentration gradients. Multi-zone models and diffusion-models may solve this problem. However, we found that the reliable use of both these models requires extensive field data to appropriately define pivotal parameters such as diffusivity or near-field dimensions. We conclude that it is difficult to apply these models for predicting VOC exposures in the workplace. However, for comparative exposure scenarios in life-cycle assessment they may be useful.« less

Grain coarsening in two-dimensional phase-field models with an orientation field

NASA Astrophysics Data System (ADS)

Korbuly, Bálint; Pusztai, Tamás; Henry, Hervé; Plapp, Mathis; Apel, Markus; Gránásy, László

2017-05-01

In the literature, contradictory results have been published regarding the form of the limiting (long-time) grain size distribution (LGSD) that characterizes the late stage grain coarsening in two-dimensional and quasi-two-dimensional polycrystalline systems. While experiments and the phase-field crystal (PFC) model (a simple dynamical density functional theory) indicate a log-normal distribution, other works including theoretical studies based on conventional phase-field simulations that rely on coarse grained fields, like the multi-phase-field (MPF) and orientation field (OF) models, yield significantly different distributions. In a recent work, we have shown that the coarse grained phase-field models (whether MPF or OF) yield very similar limiting size distributions that seem to differ from the theoretical predictions. Herein, we revisit this problem, and demonstrate in the case of OF models [R. Kobayashi, J. A. Warren, and W. C. Carter, Physica D 140, 141 (2000), 10.1016/S0167-2789(00)00023-3; H. Henry, J. Mellenthin, and M. Plapp, Phys. Rev. B 86, 054117 (2012), 10.1103/PhysRevB.86.054117] that an insufficient resolution of the small angle grain boundaries leads to a log-normal distribution close to those seen in the experiments and the molecular scale PFC simulations. Our paper indicates, furthermore, that the LGSD is critically sensitive to the details of the evaluation process, and raises the possibility that the differences among the LGSD results from different sources may originate from differences in the detection of small angle grain boundaries.

Numerical magnetohydrodynamic simulations of expanding flux ropes: Influence of boundary driving

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

Tacke, Thomas; Dreher, Jürgen; Sydora, Richard D.

2013-07-15

The expansion dynamics of a magnetized, current-carrying plasma arch is studied by means of time-dependent ideal MHD simulations. Initial conditions model the setup used in recent laboratory experiments that in turn simulate coronal loops [J. Tenfelde et al., Phys. Plasmas 19, 072513 (2012); E. V. Stenson and P. M. Bellan, Plasma Phys. Controlled Fusion 54, 124017 (2012)]. Boundary conditions of the electric field at the “lower” boundary, intersected by the arch, are chosen such that poloidal magnetic flux is injected into the domain, either localized at the arch footpoints themselves or halfway between them. These conditions are motivated by themore » tangential electric field expected to exist in the laboratory experiments due to the external circuit that drives the plasma current. The boundary driving is found to systematically enhance the expansion velocity of the plasma arch. While perturbations at the arch footpoints also deform its legs and create characteristic elongated segments, a perturbation between the footpoints tends to push the entire structure upwards, retaining an ellipsoidal shape.« less

Viability of modelling gas transport in shallow injection-monitoring experiment field at Maguelone, France

NASA Astrophysics Data System (ADS)

Basirat, Farzad; Perroud, Hervé; Lofi, Johanna; Denchik, Nataliya; Lods, Gérard; Fagerlund, Fritjof; Sharma, Prabhakar; Pezard, Philippe; Niemi, Auli

2015-04-01

In this study, TOUGH2/EOS7CA model is used to simulate the shallow injection-monitoring experiment carried out at Maguelone, France, during 2012 and 2013. The possibility of CO2 leakage from storage reservoir to upper layers is one of the issues that need to be addressed in CCS projects. Developing reliable monitoring techniques to detect and characterize CO2 leakage is necessary for the safety of CO2 storage in reservoir formations. To test and cross-validate different monitoring techniques, a series of shallow gas injection-monitoring experiments (SIMEx) has been carried out at the Maguelone. The experimental site is documented in Lofi et al [2013]. At the site, a series of nitrogen and one CO2 injection experiment have been carried out during 2012-2013 and different monitoring techniques have been applied. The purpose of modelling is to acquire understanding of the system performance as well as to further develop and validate modelling approaches for gas transport in the shallow subsurface, against the well-controlled data sets. The preliminary simulation of the experiment including the simulation for the Nitrogen injection test in 2012 was presented in Basirat et al [2013]. In this work, the simulations represent the gaseous CO2 distribution and dissolved CO2 within range obtained by monitoring approaches. The Multiphase modelling in combination with geophysical monitoring can be used for process understanding of gas phase migration- and mass transfer processes resulting from gaseous CO2 injection. Basirat, F., A. Niemi, H. Perroud, J. Lofi, N. Denchik, G. Lods, P. Pezard, P. Sharma, and F. Fagerlund (2013), Modeling Gas Transport in the Shallow Subsurface in Maguelone Field Experiment, Energy Procedia, 40, 337-345. Lofi, J., P. Pezard, F. Bouchette, O. Raynal, P. Sabatier, N. Denchik, A. Levannier, L. Dezileau, and R. Certain (2013), Integrated Onshore-Offshore Investigation of a Mediterranean Layered Coastal Aquifer, Groundwater, 51(4), 550-561.

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

Dynamic modelling and simulation of linear Fresnel solar field model based on molten salt heat transfer fluid

NASA Astrophysics Data System (ADS)

Hakkarainen, Elina; Tähtinen, Matti

2016-05-01

Demonstrations of direct steam generation (DSG) in linear Fresnel collectors (LFC) have given promising results related to higher steam parameters compared to the current state-of-the-art parabolic trough collector (PTC) technology using oil as heat transfer fluid (HTF). However, DSG technology lacks feasible solution for long-term thermal energy storage (TES) system. This option is important for CSP technology in order to offer dispatchable power. Recently, molten salts have been proposed to be used as HTF and directly as storage medium in both line-focusing solar fields, offering storage capacity of several hours. This direct molten salt (DMS) storage concept has already gained operational experience in solar tower power plant, and it is under demonstration phase both in the case of LFC and PTC systems. Dynamic simulation programs offer a valuable effort for design and optimization of solar power plants. In this work, APROS dynamic simulation program is used to model a DMS linear Fresnel solar field with two-tank TES system, and example simulation results are presented in order to verify the functionality of the model and capability of APROS for CSP modelling and simulation.

Use of High-resolution WRF Simulations to Forecast Lightning Threat

NASA Technical Reports Server (NTRS)

McCaul, William E.; LaCasse, K.; Goodman, S. J.

2006-01-01

Recent observational studies have confirmed the existence of a robust statistical relationship between lightning flash rates and the amount of large precipitating ice hydrometeors in storms. This relationship is exploited, in conjunction with the capabilities of recent forecast models such as WRF, to forecast the threat of lightning from convective storms using the output fields from the model forecasts. The simulated vertical flux of graupel at -15C is used in this study as a proxy for charge separation processes and their associated lightning risk. Six-h simulations are conducted for a number of case studies for which three-dimensional lightning validation data from the North Alabama Lightning Mapping Array are available. Experiments indicate that initialization of the WRF model on a 2 km grid using Eta boundary conditions, Doppler radar radial velocity and reflectivity fields, and METAR and ACARS data yield the most realistic simulations. An array of subjective and objective statistical metrics are employed to document the utility of the WRF forecasts. The simulation results are also compared to other more traditional means of forecasting convective storms, such as those based on inspection of the convective available potential energy field.

Polar-Drive--Implosion Physics on OMEGA and the NIF

NASA Astrophysics Data System (ADS)

Radha, P. B.

2012-10-01

Polar drive (PD) permits the execution of direct-drive--ignition experiments on facilities that are configured for x-ray drive such as the National Ignition Facility (NIF) and Laser M'egajoule. Experiments on the OMEGA laser are used to develop and validate models of PD implosions. Results from OMEGA PD shock-timing and warm implosions are presented. Experiments are simulated with the 2-D hydrodynamic code DRACO including full 3-D ray trace to model oblique beams. Excellent agreement is obtained in shock velocity and catch-up in PD geometry in warm, plastic shells. Predicted areal densities are measured in PD implosion experiments. Good agreement between simulation and experiments is obtained in the overall shape of the compressing shell when observed through x-ray backlighting. Simulated images of the hot core, including the effect of magnetic fields, are compared with experiments. Comparisons of simulated and observed scattered light and bang time in PD geometry are presented. Several techniques to increase implosion velocity are presented including beam profile variations and different ablator materials. Results from shimmed-target PD experiments will also be presented. Designs for future PD OMEGA experiments at ignition-relevant intensities will be presented. The implication of these results for NIF-scale plasmas is discussed. Experiments for the NIF in its current configuration, with indirect-drive phase plates, are proposed to study implosion energetics and shell asymmetries. This work was supported by the U.S. Department of Energy Office of Inertial Confinement Fusion under Cooperative Agreement No. DE-FC52-08NA28302.

Permittivity and performance of dielectric pads with sintered ceramic beads in MRI: early experiments and simulations at 3 T.

PubMed

Luo, Wei; Lanagan, Michael T; Sica, Christopher T; Ryu, Yeunchul; Oh, Sukhoon; Ketterman, Matthew; Yang, Qing X; Collins, Christopher M

2013-07-01

Passive dielectric materials have been used to improve aspects of MRI by affecting the distribution of radiofrequency electromagnetic fields. Recently, interest in such materials has increased with the number of high-field MRI sites. Here, we introduce a new material composed of sintered high-permittivity ceramic beads in deuterated water. This arrangement maintains the ability to create flexible pads for conforming to individual subjects. The properties of the material are measured and the performance of the material is compared to previously used materials in both simulation and experiment at 3 T. Results show that both permittivity of the beads and effect on signal-to-noise ratio and required transmit power in MRI are greater than those of materials consisting of ceramic powder in water. Importantly, use of beads results in both higher permittivity and lower conductivity than use of powder. Copyright © 2012 Wiley Periodicals, Inc.

Electrical fatigue behaviour in lead zirconate titanate: an experimental and theoretical study

NASA Astrophysics Data System (ADS)

Bhattacharyya, Mainak; Arockiarajan, A.

2013-08-01

A systematic investigation on electrical fatigue in lead zirconate titanate (PZT) is carried out for different loading frequencies. Experiments are conducted up to 106 cycles to measure the electrical displacement and longitudinal strain on bulk ceramics in the bipolar mode with large electrical loading conditions. A simplified macroscopic model based on physical mechanisms of domain switching is developed to predict the non-linear behaviour. In this model, the volume fraction of a domain is used as the internal variable by considering the mechanisms of domain nucleation and propagation (domain wall movement). The measured material properties at different fatigue cycles are incorporated into the switching model as damage parameters and the classical strain versus electric field and electric displacement versus electric field curves are simulated. Comparison between the experiments and simulations shows that the proposed model can reproduce the characteristics of non-linear as well as fatigue responses.

Frequency-domain coherent multidimensional spectroscopy when dephasing rivals pulsewidth: Disentangling material and instrument response

DOE PAGES

Kohler, Daniel D.; Thompson, Blaise J.; Wright, John C.

2017-08-31

Ultrafast spectroscopy is often collected in the mixed frequency/time domain, where pulse durations are similar to system dephasing times. In these experiments, expectations derived from the familiar driven and impulsive limits are not valid. This work simulates the mixed-domain four-wave mixing response of a model system to develop expectations for this more complex field-matter interaction. We also explore frequency and delay axes. We show that these line shapes are exquisitely sensitive to excitation pulse widths and delays. Near pulse overlap, the excitation pulses induce correlations that resemble signatures of dynamic inhomogeneity. We describe these line shapes using an intuitive picturemore » that connects to familiar field-matter expressions. We develop strategies for distinguishing pulse-induced correlations from true system inhomogeneity. Our simulations provide a foundation for interpretation of ultrafast experiments in the mixed domain.« less

Accuracy of user-friendly blood typing kits tested under simulated military field conditions.

PubMed

Bienek, Diane R; Charlton, David G

2011-04-01

Rapid user-friendly ABO-Rh blood typing kits (Eldon Home Kit 2511, ABO-Rh Combination Blood Typing Experiment Kit) were evaluated to determine their accuracy when used under simulated military field conditions and after long-term storage at various temperatures and humidities. Rates of positive tests between control groups, experimental groups, and industry standards were measured and analyzed using the Fisher's exact chi-square method to identify significant differences (p < or = 0.05). When Eldon Home Kits 2511 were used in various operational conditions, the results were comparable to those obtained with the control group and with the industry standard. The performance of the ABO-Rh Combination Blood Typing Experiment Kit was adversely affected by prolonged storage in temperatures above 37 degrees C. The diagnostic performance of commercial blood typing kits varies according to product and environmental storage conditions.

Factors determining electrostatic fields in molecular dynamics simulations of the Ras/effector interface.

PubMed

Ensign, Daniel L; Webb, Lauren J

2011-12-01

Using molecular dynamics simulations, we explore geometric and physical factors contributing to calculated electrostatic fields at the binding surface of the GTPase Ras with a spectroscopically labeled variant of a downstream effector, the Ras-binding domain of Ral guanine nucleotide dissociation stimulator (RalGDS). A related system (differing by mutation of one amino acid) has been studied in our group using vibrational Stark effect spectroscopy, a technique sensitive to electrostatic fields. Electrostatic fields were computed using the AMBER 2003 force field and averaged over snapshots from molecular dynamics simulation. We investigate geometric factors by exploring how the orientation of the spectroscopic probe changes on Ras-effector binding. In addition, we explore the physical origin of electrostatic fields at our spectroscopic probe by comparing contributions to the field from discrete components of the system, such as explicit solvent, residues on the Ras surface, and residues on the RalGDS surface. These models support our experimental hypothesis that vibrational Stark shifts are caused by Ras binding to its effector and not the structural rearrangements of the effector surface or probe reorientation on Ras-effector binding, for at least some of our experimental probes. These calculations provide physical insight into the origin, magnitude, and importance of electrostatic fields in protein-protein interactions and suggest new experiments to probe the field's role in protein docking. Copyright © 2011 Wiley-Liss, Inc.

Visual-spatial ability is more important than motivation for novices in surgical simulator training: a preliminary study

PubMed Central

Hedman, Leif; Felländer-Tsai, Li

2016-01-01

Objectives To investigate whether surgical simulation performance and previous video gaming experience would correlate with higher motivation to further train a specific simulator task and whether visual-spatial ability would rank higher in importance to surgical performance than the above. It was also examined whether or not motivation would correlate with a preference to choose a surgical specialty in the future and if simulator training would increase the interest in choosing that same work field. Methods Motivation and general interest in surgery was measured pre- and post-training in 30 medical students at Karolinska Institutet who were tested in a laparoscopic surgical simulator in parallel with measurement of visual-spatial ability and self-estimated video gaming experience.  Correlations between simulator performance metrics, visual-spatial ability and motivation were statistically analyzed using regression analysis. Results A good result in the first simulator trial correlated with higher self-determination index (r =-0.46, p=0.05) in male students. Visual-spatial ability was the most important underlying factor followed by intrinsic motivation score and finally video gaming experience (p=0.02, p=0.05, p=0.11) regarding simulator performance in male students. Simulator training increased interest in surgery when studying all subjects (p=0.01), male subjects (p=0.02) as well as subjects with low video gaming experience (p=0.02). Conclusions This preliminary study highlights individual differences regarding the effect of simulator training on motivation that can be taken into account when designing simulator training curricula, although the sample size is quite small and findings should be interpreted carefully.  PMID:26897701

In silico modelling of drug–polymer interactions for pharmaceutical formulations

PubMed Central

Ahmad, Samina; Johnston, Blair F.; Mackay, Simon P.; Schatzlein, Andreas G.; Gellert, Paul; Sengupta, Durba; Uchegbu, Ijeoma F.

2010-01-01

Selecting polymers for drug encapsulation in pharmaceutical formulations is usually made after extensive trial and error experiments. To speed up excipient choice procedures, we have explored coarse-grained computer simulations (dissipative particle dynamics (DPD) and coarse-grained molecular dynamics using the MARTINI force field) of polymer–drug interactions to study the encapsulation of prednisolone (log p = 1.6), paracetamol (log p = 0.3) and isoniazid (log p = −1.1) in poly(l-lactic acid) (PLA) controlled release microspheres, as well as the encapsulation of propofol (log p = 4.1) in bioavailability enhancing quaternary ammonium palmitoyl glycol chitosan (GCPQ) micelles. Simulations have been compared with experimental data. DPD simulations, in good correlation with experimental data, correctly revealed that hydrophobic drugs (prednisolone and paracetamol) could be encapsulated within PLA microspheres and predicted the experimentally observed paracetamol encapsulation levels (5–8% of the initial drug level) in 50 mg ml−1 PLA microspheres, but only when initial paracetamol levels exceeded 5 mg ml−1. However, the mesoscale technique was unable to model the hydrophilic drug (isoniazid) encapsulation (4–9% of the initial drug level) which was observed in experiments. Molecular dynamics simulations using the MARTINI force field indicated that the self-assembly of GCPQ is rapid, with propofol residing at the interface between micellar hydrophobic and hydrophilic groups, and that there is a heterogeneous distribution of propofol within the GCPQ micelle population. GCPQ–propofol experiments also revealed a population of relatively empty and drug-filled GCPQ particles. PMID:20519214

Effect of hurricane paths on storm surge response at Tianjin, China

NASA Astrophysics Data System (ADS)

Feng, Xingru; Yin, Baoshu; Yang, Dezhou

2012-06-01

A hurricane induced storm surge simulation system was developed for Tianjin coast, which consists of a hurricane model and a storm surge model. The peak storm surge result of the simulation agreed well with that of the observation. Three observed paths (Rita, Mimie and WINNIE) and a hypothetical path (Rita2) were chosen as the selective hurricane paths according to their positions relative to Tianjin. The sensitivity of Tianjin storm surge to the four paths was investigated using the validated storm surge simulation system. Three groups of experiments were done. In group one, the models were forced by the wind field and air pressure; in group two and three the models were forced by the wind only and the air pressure only respectively. In the experiments, the hurricane moved with a fixed speed and an intensity of 50 year return period. The simulation results show that path of the type Rita2 is the easiest to cause storm surge disaster in Tianjin, and the effect of air pressure forcing is most evident for path of the type Rita in Tianjin storm surge process. The above conclusions were analyzed through the evolution of the wind fields and the air pressure distributions. Comparing the experiment results of Group one, two and three, it can be seen that the storm surge is mainly induced by the wind forcing and the nonlinear interaction between the effect of wind forcing and air pressure forcing on the storm surge tends to weaken the storm surge.

Variation of linear and circular polarization persistence for changing field of view and collection area in a forward scattering environment

NASA Astrophysics Data System (ADS)

van der Laan, John D.; Wright, Jeremy B.; Scrymgeour, David A.; Kemme, Shanalyn A.; Dereniak, Eustace L.

2016-05-01

We present experimental and simulation results for a laboratory-based forward-scattering environment, where 1 μm diameter polystyrene spheres are suspended in water to model the optical scattering properties of fog. Circular polarization maintains its degree of polarization better than linear polarization as the optical thickness of the scattering environment increases. Both simulation and experiment quantify circular polarization's superior persistence, compared to that of linear polarization, and show that it is much less affected by variations in the field of view and collection area of the optical system. Our experimental environment's lateral extent was physically finite, causing a significant difference between measured and simulated degree of polarization values for incident linearly polarized light, but not for circularly polarized light. Through simulation we demonstrate that circular polarization is less susceptible to the finite environmental extent as well as the collection optic's limiting configuration.

Sudden death in epileptic rats exposed to nocturnal magnetic fields that simulate the shape and the intensity of sudden changes in geomagnetic activity: an experiment in response to Schnabel, Beblo and May

NASA Astrophysics Data System (ADS)

Persinger, M. A.; McKay, B. E.; O'Donovan, C. A.; Koren, S. A.

2005-03-01

To test the hypothesis that sudden unexplained death (SUD) in some epileptic patients is related to geomagnetic activity we exposed rats in which limbic epilepsy had been induced to experimentally produced magnetic fields designed to simulate sudden storm commencements (SSCs). Prior studies with rats had shown that sudden death in groups of rats in which epilepsy had been induced months earlier was associated with the occurrence of SSCs and increased geomagnetic activity during the previous night. Schnabel et al. [(2000) Neurology 54:903 908) found no relationship between SUD in human patients and geomagnetic activity. A total of 96 rats were exposed to either 500, 50, 10 40 nT or sham (less than 10 nT) magnetic fields for 6 min every hour between midnight and 0800 hours (local time) for three successive nights. The shape of the complex, amplitude-modulated magnetic fields simulated the shape and structure of an average SSC. The rats were then seized with lithium and pilocarpine and the mortality was monitored. Whereas 10% of the rats that had been exposed to the sham field died within 24 h, 60% of the rats that had been exposed to the experimental magnetic fields simulating natural geomagnetic activity died (P<.001) during this period. These results suggest that correlational analyses between SUD in epileptic patients and increased geomagnetic activity can be simulated experimentally in epileptic rats and that potential mechanisms might be testable directly.

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.

Molecular Dynamics Simulations of Nucleic Acids. From Tetranucleotides to the Ribosome.

PubMed

Šponer, Jiří; Banáš, Pavel; Jurečka, Petr; Zgarbová, Marie; Kührová, Petra; Havrila, Marek; Krepl, Miroslav; Stadlbauer, Petr; Otyepka, Michal

2014-05-15

We present a brief overview of explicit solvent molecular dynamics (MD) simulations of nucleic acids. We explain physical chemistry limitations of the simulations, namely, the molecular mechanics (MM) force field (FF) approximation and limited time scale. Further, we discuss relations and differences between simulations and experiments, compare standard and enhanced sampling simulations, discuss the role of starting structures, comment on different versions of nucleic acid FFs, and relate MM computations with contemporary quantum chemistry. Despite its limitations, we show that MD is a powerful technique for studying the structural dynamics of nucleic acids with a fast growing potential that substantially complements experimental results and aids their interpretation.

Toward a Global 1/25degree HYCOM Ocean Prediction System with Tides

DTIC Science & Technology

2010-01-01

configurations of ARCc. 6 Figure 4. Annual temperature field at 200 m. Left: ARCc0.72 experiment 040 (2006); Middle: GDEM climatology...Eurasian Basin. Solid lines indicate results from ARCc0.72 experiment 040 (black), 060 (blue) and GDEM climatology (green). Shades delineate 10 – 90...range of the data. Note the Atlantic Layer (positive T) is markedly well simulated in experiment 040 compared to GDEM profile. Figure 7

An online tool for tracking soil nitrogen

NASA Astrophysics Data System (ADS)

Wang, J.; Umar, M.; Banger, K.; Pittelkow, C. M.; Nafziger, E. D.

2016-12-01

Near real-time crop models can be useful tools for optimizing agricultural management practices. For example, model simulations can potentially provide current estimates of nitrogen availability in soil, helping growers decide whether more nitrogen needs to be applied in a given season. Traditionally, crop models have been used at point locations (i.e. single fields) with homogenous soil, climate and initial conditions. However, nitrogen availability across fields with varied weather and soil conditions at a regional or national level is necessary to guide better management decisions. This study presents the development of a publicly available, online tool that automates the integration of high-spatial-resolution forecast and past weather and soil data in DSSAT to estimate nitrogen availability for individual fields in Illinois. The model has been calibrated with field experiments from past year at six research corn fields across Illinois. These sites were treated with applications of different N fertilizer timings and amounts. The tool requires minimal management information from growers and yet has the capability to simulate nitrogen-water-crop interactions with calibrated parameters that are more appropriate for Illinois. The results from the tool will be combined with incoming field experiment data from 2016 for model validation and further improvement of model's predictive accuracy. The tool has the potential to help guide better nitrogen management practices to maximize economic and environmental benefits.

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.

A 3D Joint Simulation Platform for Multiband_A Case Study in the Huailai Soybean and Maize Field

NASA Astrophysics Data System (ADS)

Zhang, Y.; Qinhuo, L.; Du, Y.; Huang, H.

2016-12-01

Canopy radiation and scattering signal contains abundant vegetation information. One can quantitatively retrieve the biophysical parameters by building canopy radiation and scattering models and inverting them. Joint simulation of the 3D models for different spectral (frequency) domains may produce complementary advantages and improves the precision. However, most of the currently models were based on one or two spectral bands (e.g. visible and thermal inferred bands, or visible and microwave bands). This manuscript established a 3D radiation and scattering simulation system which can simulate the BRDF, DBT, and backscattering coefficient based on the same structural description. The system coupled radiosity graphic model, Thermal RGM model and coherent microwave model by Yang Du for VIS/NIR, TIR, and MW, respectively. The models simulating the leaf spectral characteristics, component temperatures and dielectric properties were also coupled into the joint simulation system to convert the various parameters into fewer but more unified parameters. As a demonstration of our system, we applied the established system to simulate a mixed field with soybeans and maize based on the Huailai experiment data in August, 2014. With the help of Xfrog software, we remodeled soybean and maize in ".obj" and ".mtl" format. We extracted the structure information of the soybean and maize by statistics of the ".obj" files. We did simulations on red, NIR, TIR, C and L band. The simulation results were validated by the multi-angular observation data of Huailai experiment. Also, the spacial distribution (horizontal and vertical), leaf area index (LAI), leaf angle distribution (LAD), vegetation water content (VWC) and the incident observation geometry were analyzed in details. Validated by the experiment data, we indicate that the simulations of multiband were quite well. Because the crops were planted in regular rows and the maize and soybeans were with different height, different LAI, different LAD and different VWC, we did the sensitive analysis by changing on one of them and fixed the other parameters. The analysis showed that the parameters influenced the radiation and scattering signal of different spectral (frequency) with varying degrees.

Experiments with the Mesoscale Atmospheric Simulation System (MASS) using the synthetic relative humidity

NASA Technical Reports Server (NTRS)

Chang, Chia-Bo

1994-01-01

This study is intended to examine the impact of the synthetic relative humidity on the model simulation of mesoscale convective storm environment. The synthetic relative humidity is derived from the National Weather Services surface observations, and non-conventional sources including aircraft, radar, and satellite observations. The latter sources provide the mesoscale data of very high spatial and temporal resolution. The synthetic humidity data is used to complement the National Weather Services rawinsonde observations. It is believed that a realistic representation of initial moisture field in a mesoscale model is critical for the model simulation of thunderstorm development, and the formation of non-convective clouds as well as their effects on the surface energy budget. The impact will be investigated based on a real-data case study using the mesoscale atmospheric simulation system developed by Mesoscale Environmental Simulations Operations, Inc. The mesoscale atmospheric simulation system consists of objective analysis and initialization codes, and the coarse-mesh and fine-mesh dynamic prediction models. Both models are a three dimensional, primitive equation model containing the essential moist physics for simulating and forecasting mesoscale convective processes in the atmosphere. The modeling system is currently implemented at the Applied Meteorology Unit, Kennedy Space Center. Two procedures involving the synthetic relative humidity to define the model initial moisture fields are considered. It is proposed to perform several short-range (approximately 6 hours) comparative coarse-mesh simulation experiments with and without the synthetic data. They are aimed at revealing the model sensitivities should allow us both to refine the specification of the observational requirements, and to develop more accurate and efficient objective analysis schemes. The goal is to advance the MASS (Mesoscal Atmospheric Simulation System) modeling expertise so that the model output can provide reliable guidance for thunderstorm forecasting.

Dense velocity reconstruction from tomographic PTV with material derivatives

NASA Astrophysics Data System (ADS)

Schneiders, Jan F. G.; Scarano, Fulvio

2016-09-01

A method is proposed to reconstruct the instantaneous velocity field from time-resolved volumetric particle tracking velocimetry (PTV, e.g., 3D-PTV, tomographic PTV and Shake-the-Box), employing both the instantaneous velocity and the velocity material derivative of the sparse tracer particles. The constraint to the measured temporal derivative of the PTV particle tracks improves the consistency of the reconstructed velocity field. The method is christened as pouring time into space, as it leverages temporal information to increase the spatial resolution of volumetric PTV measurements. This approach becomes relevant in cases where the spatial resolution is limited by the seeding concentration. The method solves an optimization problem to find the vorticity and velocity fields that minimize a cost function, which includes next to instantaneous velocity, also the velocity material derivative. The velocity and its material derivative are related through the vorticity transport equation, and the cost function is minimized using the limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) algorithm. The procedure is assessed numerically with a simulated PTV experiment in a turbulent boundary layer from a direct numerical simulation (DNS). The experimental validation considers a tomographic particle image velocimetry (PIV) experiment in a similar turbulent boundary layer and the additional case of a jet flow. The proposed technique (`vortex-in-cell plus', VIC+) is compared to tomographic PIV analysis (3D iterative cross-correlation), PTV interpolation methods (linear and adaptive Gaussian windowing) and to vortex-in-cell (VIC) interpolation without the material derivative. A visible increase in resolved details in the turbulent structures is obtained with the VIC+ approach, both in numerical simulations and experiments. This results in a more accurate determination of the turbulent stresses distribution in turbulent boundary layer investigations. Data from a jet experiment, where the vortex topology is retrieved with a small number of tracers indicate the potential utilization of VIC+ in low-concentration experiments as for instance occurring in large-scale volumetric PTV measurements.

Preliminary Phase Field Computational Model Development

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

Li, Yulan; Hu, Shenyang Y.; Xu, Ke

2014-12-15

This interim report presents progress towards the development of meso-scale models of magnetic behavior that incorporate microstructural information. Modeling magnetic signatures in irradiated materials with complex microstructures (such as structural steels) is a significant challenge. The complexity is addressed incrementally, using the monocrystalline Fe (i.e., ferrite) film as model systems to develop and validate initial models, followed by polycrystalline Fe films, and by more complicated and representative alloys. In addition, the modeling incrementally addresses inclusion of other major phases (e.g., martensite, austenite), minor magnetic phases (e.g., carbides, FeCr precipitates), and minor nonmagnetic phases (e.g., Cu precipitates, voids). The focus ofmore » the magnetic modeling is on phase-field models. The models are based on the numerical solution to the Landau-Lifshitz-Gilbert equation. From the computational standpoint, phase-field modeling allows the simulation of large enough systems that relevant defect structures and their effects on functional properties like magnetism can be simulated. To date, two phase-field models have been generated in support of this work. First, a bulk iron model with periodic boundary conditions was generated as a proof-of-concept to investigate major loop effects of single versus polycrystalline bulk iron and effects of single non-magnetic defects. More recently, to support the experimental program herein using iron thin films, a new model was generated that uses finite boundary conditions representing surfaces and edges. This model has provided key insights into the domain structures observed in magnetic force microscopy (MFM) measurements. Simulation results for single crystal thin-film iron indicate the feasibility of the model for determining magnetic domain wall thickness and mobility in an externally applied field. Because the phase-field model dimensions are limited relative to the size of most specimens used in experiments, special experimental methods were devised to create similar boundary conditions in the iron films. Preliminary MFM studies conducted on single and polycrystalline iron films with small sub-areas created with focused ion beam have correlated quite well qualitatively with phase-field simulations. However, phase-field model dimensions are still small relative to experiments thus far. We are in the process of increasing the size of the models and decreasing specimen size so both have identical dimensions. Ongoing research is focused on validation of the phase-field model. Validation is being accomplished through comparison with experimentally obtained MFM images (in progress), and planned measurements of major hysteresis loops and first order reversal curves. Extrapolation of simulation sizes to represent a more stochastic bulk-like system will require sampling of various simulations (i.e., with single non-magnetic defect, single magnetic defect, single grain boundary, single dislocation, etc.) with distributions of input parameters. These outputs can then be compared to laboratory magnetic measurements and ultimately to simulate magnetic Barkhausen noise signals.« less

Turbulent magnetic fluctuations in laboratory reconnection

NASA Astrophysics Data System (ADS)

Von Stechow, Adrian; Grulke, Olaf; Klinger, Thomas

2016-07-01

The role of fluctuations and turbulence is an important question in astrophysics. While direct observations in space are rare and difficult dedicated laboratory experiments provide a versatile environment for the investigation of magnetic reconnection due to their good diagnostic access and wide range of accessible plasma parameters. As such, they also provide an ideal chance for the validation of space plasma reconnection theories and numerical simulation results. In particular, we studied magnetic fluctuations within reconnecting current sheets for various reconnection parameters such as the reconnection rate, guide field, as well as plasma density and temperature. These fluctuations have been previously interpreted as signatures of current sheet plasma instabilities in space and laboratory systems. Especially in low collisionality plasmas these may provide a source of anomalous resistivity and thereby contribute a significant fraction of the reconnection rate. We present fluctuation measurements from two complementary reconnection experiments and compare them to numerical simulation results. VINETA.II (Greifswald, Germany) is a cylindrical, high guide field reconnection experiment with an open field line geometry. The reconnecting current sheet has a three-dimensional structure that is predominantly set by the magnetic pitch angle which results from the superposition of the guide field and the in-plane reconnecting field. Within this current sheet, high frequency magnetic fluctuations are observed that correlate well with the local current density and show a power law spectrum with a spectral break at the lower hybrid frequency. Their correlation lengths are found to be extremely short, but propagation is nonetheless observed with high phase velocities that match the Whistler dispersion. To date, the experiment has been run with an external driving field at frequencies higher than the ion cyclotron frequency f_{ci}, which implies that the EMHD framework applies. Recent machine upgrades allow the inclusion of ion dynamics by reducing the drive frequency below f_{ci}. Two numerical codes (EMHD and hybrid, respectively) have been developed at the Max Planck Institute for solar physics and are used to investigate instability mechanisms and scaling laws for the observed results. MRX (PPPL. Princeton) is a zero to medium guide field, toroidal reconnection experiment. Despite the differing plasma parameters, the qualitative magnetic fluctuation behavior (amplitude profiles, spectra and propagation properties) is comparable to VINETA.II. Results from a new measurement campaign at several different guide fields provides partial overlap with VINETA.II guide field ratios and thereby extends the accessible parameter space of our studies.

Magnetoacoustic Tomography with Magnetic Induction for Electrical Conductivity based Tissue imaging

NASA Astrophysics Data System (ADS)

Mariappan, Leo

Electrical conductivity imaging of biological tissue has attracted considerable interest in recent years owing to research indicating that electrical properties, especially electrical conductivity and permittivity, are indicators of underlying physiological and pathological conditions in biological tissue. Also, the knowledge of electrical conductivity of biological tissue is of interest to researchers conducting electromagnetic source imaging and in design of devices that apply electromagnetic energy to the body such as MRI. So, the need for a non-invasive, high resolution impedance imaging method is highly desired. To address this need we have studied the magnetoacoustic tomography with magnetic induction (MAT-MI) method. In MAT-MI, the object is placed in a static and a dynamic magnetic field giving rise to ultrasound waves. The dynamic field induces eddy currents in the object, and the static field leads to generation of acoustic vibrations from Lorentz force on the induced currents. The acoustic vibrations are at the same frequency as the dynamic magnetic field, which is chosen to match the ultrasound frequency range. These ultrasound signals can be measured by ultrasound probes and are used to reconstruct MAT-MI acoustic source images using possible ultrasound imaging approaches .The reconstructed high spatial resolution image is indicative of the object's electrical conductivity contrast. We have investigated ultrasound imaging methods to reliably reconstruct the MAT-MI image under the practical conditions of limited bandwidth and transducer geometry. The corresponding imaging algorithm, computer simulation and experiments are developed to test the feasibility of these different methods. Also, in experiments, we have developed a system with the strong static field of an MRI magnet and a strong pulsed magnetic field to evaluate MAT-MI in biological tissue imaging. It can be seen from these simulations and experiments that conductivity boundary images with millimeter resolution can be reliably reconstructed with MAT-MI. Further, to estimate the conductivity distribution throughout the object, we reconstruct a vector source image corresponding to the induced eddy currents. As the current source is uniformly present throughout the object, we are able to reliably estimate the internal conductivity distribution for a more complete imaging. From the computer simulations and experiments it can be seen that MAT-MI method has the potential to be a clinically applicable, high resolution, non-invasive method for electrical conductivity imaging.

Fate and Transport of Bacteriophage (MS2 and PRD1) During Field-Scale Infiltration at a Research Site in Los Angeles County, CA

NASA Astrophysics Data System (ADS)

Anders, R.; Chrysikopoulos, C. V.

2003-12-01

As the use of tertiary-treated municipal wastewater (recycled water) for replenishment purposes continues to increase, provisions are being established to protect ground-water resources by ensuring that adequate soil-retention time and distance requirements are met for pathogen removal. However, many of the factors controlling virus fate and transport (e.g. hydraulic conditions, ground-water chemistry, and sediment mineralogy) are interrelated and poorly understood. Therefore, conducting field-scale experiments using surrogates for human enteric viruses at an actual recharge basin that uses recycled water may represent the best approach for establishing adequate setback requirements. Three field-scale infiltration experiments were conducted at such a basin using bacterial viruses (bacteriophage) MS2 and PRD1 as surrogates for human viruses, bromide as a conservative tracer, and recycled water. The specific research site consists of a test basin constructed adjacent to a large recharge facility (spreading grounds) located in the Montebello Forebay of Los Angeles County, California. The soil beneath the test basin is predominantly medium to coarse, moderately sorted, grayish-brown sand. The first experiment was conducted over a 2-day period to determine the feasibility of conducting field-scale infiltration experiments using recycled water seeded with high concentrations of bacteriophage and bromide as tracers. Based on the results of the first experiment, a second experiment was completed when similar hydraulic conditions existed at the test basin. The third infiltration experiment was conducted to confirm the results obtained from the second experiment. Data were obtained for samples collected during the second and third field-scale infiltration experiments from the test basin itself and from depths of 0.3, 0.6, 1.0, 1.5, 3.0, and 7.6 m below the bottom of the test basin. These field-scale tracer experiments indicate bacteriophage are attenuated by removal and (or) inactivation during subsurface transport. To simulate the transport and fate of viruses during infiltration, a nonlinear least-squares regression program was used to fit a one-dimensional virus transport model to the experimental data. The model simulates virus transport in homogeneous, saturated porous media with first-order adsorption (or filtration) and inactivation. Furthermore, the model obtains a semi-analytical solution for the special case of a broad pulse and time-dependent source concentration using the principle of superposition. The fitted parameters include the clogging and declogging rate constants and the inactivation constants of suspended and adsorbed viruses. Preliminary results show a reasonable match of the first arrival of bacteriophage and bromide.