WorldWideScience

Sample records for surface flux-transport simulations

  1. A DOUBLE-RING ALGORITHM FOR MODELING SOLAR ACTIVE REGIONS: UNIFYING KINEMATIC DYNAMO MODELS AND SURFACE FLUX-TRANSPORT SIMULATIONS

    International Nuclear Information System (INIS)

    Munoz-Jaramillo, Andres; Martens, Petrus C. H.; Nandy, Dibyendu; Yeates, Anthony R.

    2010-01-01

    The emergence of tilted bipolar active regions (ARs) and the dispersal of their flux, mediated via processes such as diffusion, differential rotation, and meridional circulation, is believed to be responsible for the reversal of the Sun's polar field. This process (commonly known as the Babcock-Leighton mechanism) is usually modeled as a near-surface, spatially distributed α-effect in kinematic mean-field dynamo models. However, this formulation leads to a relationship between polar field strength and meridional flow speed which is opposite to that suggested by physical insight and predicted by surface flux-transport simulations. With this in mind, we present an improved double-ring algorithm for modeling the Babcock-Leighton mechanism based on AR eruption, within the framework of an axisymmetric dynamo model. Using surface flux-transport simulations, we first show that an axisymmetric formulation-which is usually invoked in kinematic dynamo models-can reasonably approximate the surface flux dynamics. Finally, we demonstrate that our treatment of the Babcock-Leighton mechanism through double-ring eruption leads to an inverse relationship between polar field strength and meridional flow speed as expected, reconciling the discrepancy between surface flux-transport simulations and kinematic dynamo models.

  2. Parameter optimization for surface flux transport models

    Science.gov (United States)

    Whitbread, T.; Yeates, A. R.; Muñoz-Jaramillo, A.; Petrie, G. J. D.

    2017-11-01

    Accurate prediction of solar activity calls for precise calibration of solar cycle models. Consequently we aim to find optimal parameters for models which describe the physical processes on the solar surface, which in turn act as proxies for what occurs in the interior and provide source terms for coronal models. We use a genetic algorithm to optimize surface flux transport models using National Solar Observatory (NSO) magnetogram data for Solar Cycle 23. This is applied to both a 1D model that inserts new magnetic flux in the form of idealized bipolar magnetic regions, and also to a 2D model that assimilates specific shapes of real active regions. The genetic algorithm searches for parameter sets (meridional flow speed and profile, supergranular diffusivity, initial magnetic field, and radial decay time) that produce the best fit between observed and simulated butterfly diagrams, weighted by a latitude-dependent error structure which reflects uncertainty in observations. Due to the easily adaptable nature of the 2D model, the optimization process is repeated for Cycles 21, 22, and 24 in order to analyse cycle-to-cycle variation of the optimal solution. We find that the ranges and optimal solutions for the various regimes are in reasonable agreement with results from the literature, both theoretical and observational. The optimal meridional flow profiles for each regime are almost entirely within observational bounds determined by magnetic feature tracking, with the 2D model being able to accommodate the mean observed profile more successfully. Differences between models appear to be important in deciding values for the diffusive and decay terms. In like fashion, differences in the behaviours of different solar cycles lead to contrasts in parameters defining the meridional flow and initial field strength.

  3. Surface flux transport simulations: Effect of inflows toward active regions and random velocities on the evolution of the Sun's large-scale magnetic field

    Science.gov (United States)

    Martin-Belda, D.; Cameron, R. H.

    2016-02-01

    Aims: We aim to determine the effect of converging flows on the evolution of a bipolar magnetic region (BMR), and to investigate the role of these inflows in the generation of poloidal flux. We also discuss whether the flux dispersal due to turbulent flows can be described as a diffusion process. Methods: We developed a simple surface flux transport model based on point-like magnetic concentrations. We tracked the tilt angle, the magnetic flux and the axial dipole moment of a BMR in simulations with and without inflows and compared the results. To test the diffusion approximation, simulations of random walk dispersal of magnetic features were compared against the predictions of the diffusion treatment. Results: We confirm the validity of the diffusion approximation to describe flux dispersal on large scales. We find that the inflows enhance flux cancellation, but at the same time affect the latitudinal separation of the polarities of the bipolar region. In most cases the latitudinal separation is limited by the inflows, resulting in a reduction of the axial dipole moment of the BMR. However, when the initial tilt angle of the BMR is small, the inflows produce an increase in latitudinal separation that leads to an increase in the axial dipole moment in spite of the enhanced flux destruction. This can give rise to a tilt of the BMR even when the BMR was originally aligned parallel to the equator.

  4. Reconstructing solar magnetic fields from historical observations: Testing the surface flux transport model

    Science.gov (United States)

    Virtanen, Iiro; Virtanen, Ilpo; Pevtsov, Alexei; Yeates, Anthony; Mursula, Kalevi

    2017-04-01

    We aim to use the surface flux transport model to simulate the long-term evolution of the photospheric magnetic field from historical observations. In this work we study the accuracy of the model and its sensitivity to uncertainties in its main parameters and the input data. We test the model by running simulations with different values of meridional circulation and supergranular diffusion parameters, and study how the flux distribution inside active regions and the initial magnetic field affect the simulation. We compare the results to assess how sensitive the simulation is to uncertainties in meridional circulation speed, supergranular diffusion and input data. We also compare the simulated magnetic field with observations. We find that there is generally good agreement between simulations and observations. While the model is not capable of replicating fine details of the magnetic field, the long-term evolution of the polar field is very similar in simulations and observations. Simulations typically yield a smoother evolution of polar fields than observations, that often include artificial variations due to observational limitations. We also find that the simulated field is fairly insensitive to uncertainties in model parameters or the input data. Due to the decay term included in the model the effects of the uncertainties are rather minor or temporary, lasting typically one solar cycle.

  5. Reconstructing solar magnetic fields from historical observations. II. Testing the surface flux transport model

    Science.gov (United States)

    Virtanen, I. O. I.; Virtanen, I. I.; Pevtsov, A. A.; Yeates, A.; Mursula, K.

    2017-07-01

    Aims: We aim to use the surface flux transport model to simulate the long-term evolution of the photospheric magnetic field from historical observations. In this work we study the accuracy of the model and its sensitivity to uncertainties in its main parameters and the input data. Methods: We tested the model by running simulations with different values of meridional circulation and supergranular diffusion parameters, and studied how the flux distribution inside active regions and the initial magnetic field affected the simulation. We compared the results to assess how sensitive the simulation is to uncertainties in meridional circulation speed, supergranular diffusion, and input data. We also compared the simulated magnetic field with observations. Results: We find that there is generally good agreement between simulations and observations. Although the model is not capable of replicating fine details of the magnetic field, the long-term evolution of the polar field is very similar in simulations and observations. Simulations typically yield a smoother evolution of polar fields than observations, which often include artificial variations due to observational limitations. We also find that the simulated field is fairly insensitive to uncertainties in model parameters or the input data. Due to the decay term included in the model the effects of the uncertainties are somewhat minor or temporary, lasting typically one solar cycle.

  6. The Large-scale Coronal Structure of the 2017 August 21 Great American Eclipse: An Assessment of Solar Surface Flux Transport Model Enabled Predictions and Observations

    Science.gov (United States)

    Nandy, Dibyendu; Bhowmik, Prantika; Yeates, Anthony R.; Panda, Suman; Tarafder, Rajashik; Dash, Soumyaranjan

    2018-01-01

    On 2017 August 21, a total solar eclipse swept across the contiguous United States, providing excellent opportunities for diagnostics of the Sun’s corona. The Sun’s coronal structure is notoriously difficult to observe except during solar eclipses; thus, theoretical models must be relied upon for inferring the underlying magnetic structure of the Sun’s outer atmosphere. These models are necessary for understanding the role of magnetic fields in the heating of the corona to a million degrees and the generation of severe space weather. Here we present a methodology for predicting the structure of the coronal field based on model forward runs of a solar surface flux transport model, whose predicted surface field is utilized to extrapolate future coronal magnetic field structures. This prescription was applied to the 2017 August 21 solar eclipse. A post-eclipse analysis shows good agreement between model simulated and observed coronal structures and their locations on the limb. We demonstrate that slow changes in the Sun’s surface magnetic field distribution driven by long-term flux emergence and its evolution governs large-scale coronal structures with a (plausibly cycle-phase dependent) dynamical memory timescale on the order of a few solar rotations, opening up the possibility for large-scale, global corona predictions at least a month in advance.

  7. Intercomparison of the finite difference and nodal discrete ordinates and surface flux transport methods for a LWR pool-reactor benchmark problem in X-Y geometry

    International Nuclear Information System (INIS)

    O'Dell, R.D.; Stepanek, J.; Wagner, M.R.

    1983-01-01

    The aim of the present work is to compare and discuss the three of the most advanced two dimensional transport methods, the finite difference and nodal discrete ordinates and surface flux method, incorporated into the transport codes TWODANT, TWOTRAN-NODAL, MULTIMEDIUM and SURCU. For intercomparison the eigenvalue and the neutron flux distribution are calculated using these codes in the LWR pool reactor benchmark problem. Additionally the results are compared with some results obtained by French collision probability transport codes MARSYAS and TRIDENT. Because the transport solution of this benchmark problem is close to its diffusion solution some results obtained by the finite element diffusion code FINELM and the finite difference diffusion code DIFF-2D are included

  8. MAGNETIC FLUX TRANSPORT AND THE LONG-TERM EVOLUTION OF SOLAR ACTIVE REGIONS

    International Nuclear Information System (INIS)

    Ugarte-Urra, Ignacio; Upton, Lisa; Warren, Harry P.; Hathaway, David H.

    2015-01-01

    With multiple vantage points around the Sun, Solar Terrestrial Relations Observatory (STEREO) and Solar Dynamics Observatory imaging observations provide a unique opportunity to view the solar surface continuously. We use He ii 304 Å data from these observatories to isolate and track ten active regions and study their long-term evolution. We find that active regions typically follow a standard pattern of emergence over several days followed by a slower decay that is proportional in time to the peak intensity in the region. Since STEREO does not make direct observations of the magnetic field, we employ a flux-luminosity relationship to infer the total unsigned magnetic flux evolution. To investigate this magnetic flux decay over several rotations we use a surface flux transport model, the Advective Flux Transport model, that simulates convective flows using a time-varying velocity field and find that the model provides realistic predictions when information about the active region's magnetic field strength and distribution at peak flux is available. Finally, we illustrate how 304 Å images can be used as a proxy for magnetic flux measurements when magnetic field data is not accessible

  9. Meridional Flow Observations: Implications for the current Flux Transport Models

    International Nuclear Information System (INIS)

    Gonzalez Hernandez, Irene; Komm, Rudolf; Kholikov, Shukur; Howe, Rachel; Hill, Frank

    2011-01-01

    Meridional circulation has become a key element in the solar dynamo flux transport models. Available helioseismic observations from several instruments, Taiwan Oscillation Network (TON), Global Oscillation Network Group (GONG) and Michelson Doppler Imager (MDI), have made possible a continuous monitoring of the solar meridional flow in the subphotospheric layers for the last solar cycle, including the recent extended minimum. Here we review some of the meridional circulation observations using local helioseismology techniques and relate them to magnetic flux transport models.

  10. Non-kinematic Flux-transport Dynamos Including the Effects of Diffusivity Quenching

    Energy Technology Data Exchange (ETDEWEB)

    Ichimura, Chiaki; Yokoyama, Takaaki [Department of Earth and Planetary Science, The University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

    2017-04-10

    Turbulent magnetic diffusivity is quenched when strong magnetic fields suppress turbulent motion in a phenomenon known as diffusivity quenching. Diffusivity quenching can provide a mechanism for amplifying magnetic field and influencing global velocity fields through Lorentz force feedback. To investigate this effect, we conducted mean field flux-transport dynamo simulations that included the effects of diffusivity quenching in a non-kinematic regime. We found that toroidal magnetic field strength is amplified by up to approximately 1.5 times in the convection zone as a result of diffusivity quenching. This amplification is much weaker than that in kinematic cases as a result of Lorentz force feedback on the system’s differential rotation. While amplified toroidal fields lead to the suppression of equatorward meridional flow locally near the base of the convection zone, large-scale equatorward transport of magnetic flux via meridional flow, which is the essential process of the flux-transport dynamo, is sustainable in our calculations.

  11. Manufactured Porous Ambient Surface Simulants

    Science.gov (United States)

    Carey, Elizabeth M.; Peters, Gregory H.; Chu, Lauren; Zhou, Yu Meng; Cohen, Brooklin; Panossian, Lara; Green, Jacklyn R.; Moreland, Scott; Backes, Paul

    2016-01-01

    The planetary science decadal survey for 2013-2022 (Vision and Voyages, NRC 2011) has promoted mission concepts for sample acquisition from small solar system bodies. Numerous comet-sampling tools are in development to meet this standard. Manufactured Porous Ambient Surface Simulants (MPASS) materials provide an opportunity to simulate variable features at ambient temperatures and pressures to appropriately test potential sample acquisition systems for comets, asteroids, and planetary surfaces. The original "flavor" of MPASS materials is known as Manufactured Porous Ambient Comet Simulants (MPACS), which was developed in parallel with the development of the Biblade Comet Sampling System (Backes et al., in review). The current suite of MPACS materials was developed through research of the physical and mechanical properties of comets from past comet missions results and modeling efforts, coordination with the science community at the Jet Propulsion Laboratory and testing of a wide range of materials and formulations. These simulants were required to represent the physical and mechanical properties of cometary nuclei, based on the current understanding of the science community. Working with cryogenic simulants can be tedious and costly; thus MPACS is a suite of ambient simulants that yields a brittle failure mode similar to that of cryogenic icy materials. Here we describe our suite of comet simulants known as MPACS that will be used to test and validate the Biblade Comet Sampling System (Backes et al., in review).

  12. Is a deep one-cell meridional circulation essential for the flux transport solar dynamo?

    International Nuclear Information System (INIS)

    Hazra, Gopal; Karak, Bidya Binay; Choudhuri, Arnab Rai

    2014-01-01

    The solar activity cycle is successfully modeled by the flux transport dynamo, in which the meridional circulation of the Sun plays an important role. Most of the kinematic dynamo simulations assume a one-cell structure of the meridional circulation within the convection zone, with the equatorward return flow at its bottom. In view of the recent claims that the return flow occurs at a much shallower depth, we explore whether a meridional circulation with such a shallow return flow can still retain the attractive features of the flux transport dynamo (such as a proper butterfly diagram, the proper phase relation between the toroidal and poloidal fields). We consider additional cells of the meridional circulation below the shallow return flow—both the case of multiple cells radially stacked above one another and the case of more complicated cell patterns. As long as there is an equatorward flow in low latitudes at the bottom of the convection zone, we find that the solar behavior is approximately reproduced. However, if there is either no flow or a poleward flow at the bottom of the convection zone, then we cannot reproduce solar behavior. On making the turbulent diffusivity low, we still find periodic behavior, although the period of the cycle becomes unrealistically large. In addition, with a low diffusivity, we do not get the observed correlation between the polar field at the sunspot minimum and the strength of the next cycle, which is reproduced when diffusivity is high. On introducing radially downward pumping, we get a more reasonable period and more solar-like behavior even with low diffusivity.

  13. Is a deep one-cell meridional circulation essential for the flux transport solar dynamo?

    Energy Technology Data Exchange (ETDEWEB)

    Hazra, Gopal; Karak, Bidya Binay; Choudhuri, Arnab Rai, E-mail: ghazra@physics.iisc.ernet.in [Department of Physics, Indian Institute of Science, Bangalore 560012 (India)

    2014-02-20

    The solar activity cycle is successfully modeled by the flux transport dynamo, in which the meridional circulation of the Sun plays an important role. Most of the kinematic dynamo simulations assume a one-cell structure of the meridional circulation within the convection zone, with the equatorward return flow at its bottom. In view of the recent claims that the return flow occurs at a much shallower depth, we explore whether a meridional circulation with such a shallow return flow can still retain the attractive features of the flux transport dynamo (such as a proper butterfly diagram, the proper phase relation between the toroidal and poloidal fields). We consider additional cells of the meridional circulation below the shallow return flow—both the case of multiple cells radially stacked above one another and the case of more complicated cell patterns. As long as there is an equatorward flow in low latitudes at the bottom of the convection zone, we find that the solar behavior is approximately reproduced. However, if there is either no flow or a poleward flow at the bottom of the convection zone, then we cannot reproduce solar behavior. On making the turbulent diffusivity low, we still find periodic behavior, although the period of the cycle becomes unrealistically large. In addition, with a low diffusivity, we do not get the observed correlation between the polar field at the sunspot minimum and the strength of the next cycle, which is reproduced when diffusivity is high. On introducing radially downward pumping, we get a more reasonable period and more solar-like behavior even with low diffusivity.

  14. The Nature of Grand Minima and Maxima from Fully Nonlinear Flux Transport Dynamos

    Energy Technology Data Exchange (ETDEWEB)

    Inceoglu, Fadil; Arlt, Rainer [Leibniz-Institute for Astrophysics Potsdam, An der Sternwarte 16, D-14482, Potsdam (Germany); Rempel, Matthias, E-mail: finceoglu@aip.de [High Altitude Observatory, National Center for Atmospheric Research, P.O. Box 3000, Boulder, CO 80307 (United States)

    2017-10-20

    We aim to investigate the nature and occurrence characteristics of grand solar minimum and maximum periods, which are observed in the solar proxy records such as {sup 10}Be and {sup 14}C, using a fully nonlinear Babcock–Leighton type flux transport dynamo including momentum and entropy equations. The differential rotation and meridional circulation are generated from the effect of turbulent Reynolds stress and are subjected to back-reaction from the magnetic field. To generate grand minimum- and maximum-like periods in our simulations, we used random fluctuations in the angular momentum transport process, namely the Λ-mechanism, and in the Babcock–Leighton mechanism. To characterize the nature and occurrences of the identified grand minima and maxima in our simulations, we used the waiting time distribution analyses, which reflect whether the underlying distribution arises from a random or a memory-bearing process. The results show that, in the majority of the cases, the distributions of grand minima and maxima reveal that the nature of these events originates from memoryless processes. We also found that in our simulations the meridional circulation speed tends to be smaller during grand maximum, while it is faster during grand minimum periods. The radial differential rotation tends to be larger during grand maxima, while it is smaller during grand minima. The latitudinal differential rotation, on the other hand, is found to be larger during grand minima.

  15. Numerical simulation of ion-surface interactions

    International Nuclear Information System (INIS)

    Hou, M.

    1994-01-01

    This paper, based on examples from the author's contribution, aims to illustrate the role of ballistic simulations of the interaction between an ion beam and a surface in the characterization of surface properties. Several aspects of the ion-surface interaction have been modelled to various levels of sophistication by computer simulation. Particular emphasis is given to the ion scattering in the impact mode, in the multiple scattering regime and at grazing incidence, as well as to the Auger emission resulting from electronic excitation. Some examples are then given in order to illustrate the use of the combination between simulation and experiment to study the ion-surface interaction and surface properties. Ion-induced Auger emission, the determination of potentials and of overlay structures are discusse. The possibility to tackle dynamical surface properties by menas of a combination between molecular dynamics, ballistic simulations and ion scattering measurements in then briefly discussed. (orig.)

  16. Investigation of magnetic flux transport and shock formation in a staged Z-pinch

    Science.gov (United States)

    Narkis, J.; Rahman, H. U.; Wessel, F. J.; Beg, F. N.

    2017-10-01

    Target preheating is an integral component of magnetized inertial fusion in reducing convergence ratio. In the staged Z-pinch concept, it is achieved via one or more shocks. Previous work [Narkis et al., Phys. Plasmas 23, 122706 (2016)] found that shock formation in the target occurred earlier in higher-Z liners due to faster flux transport to the target/liner interface. However, a corresponding increase in magnitude of magnetic pressure was not observed, and target implosion velocity (and therefore shock strength) remained unchanged. To investigate other means of increasing the magnitude of transported flux, a Korteweg-de Vries-Burgers equation from the 1-D single-fluid, resistive magnetohydrodynamic equations is obtained. Solutions to the nondispersive (i.e., Burgers) equation depend on nondimensional coefficients, whose dependence on liner density, temperature, etc., suggests an increase in target implosion velocity, and therefore shock strength, can be obtained by tailoring the mass of a single-liner gas puff to a double-liner configuration. In the selected test cases of 1-D simulated implosions of krypton on deuterium, the peak Mach number increased from ˜ 5 to ˜ 8 . While a notable increase was seen, Mach numbers exceeding 10 (implosion velocities exceeding ˜25 cm/μs) are necessary for adequate shock preheating.

  17. Building Airport Surface HITL Simulation Capability

    Science.gov (United States)

    Chinn, Fay Cherie

    2016-01-01

    FutureFlight Central is a high fidelity, real-time simulator designed to study surface operations and automation. As an air traffic control tower simulator, FFC allows stakeholders such as the FAA, controllers, pilots, airports, and airlines to develop and test advanced surface and terminal area concepts and automation including NextGen and beyond automation concepts and tools. These technologies will improve the safety, capacity and environmental issues facing the National Airspace system. FFC also has extensive video streaming capabilities, which combined with the 3-D database capability makes the facility ideal for any research needing an immersive virtual and or video environment. FutureFlight Central allows human in the loop testing which accommodates human interactions and errors giving a more complete picture than fast time simulations. This presentation describes FFCs capabilities and the components necessary to build an airport surface human in the loop simulation capability.

  18. Airborne Lidar Surface Topography (LIST) Simulator

    Science.gov (United States)

    Yu, Anthony W.; Krainak, Michael A.; Harding, David J.; Abshire, James B.; Sun, Xiaoli; Cavanaugh, John; Valett, Susan; Ramos-Izquierdo, Luis; Winkert, Tom; Plants, Michael; hide

    2011-01-01

    In this paper we will discuss our development effort of an airborne instrument as a pathfinder for the Lidar Surface Technology (LIST) mission. This paper will discuss the system approach, enabling technologies, instrument concept and performance of the Airborne LIST Simulator (A-LISTS).

  19. KMC Simulation of Surface Growth of Semiconductors

    International Nuclear Information System (INIS)

    Esen, M.

    2004-01-01

    In this work we have studied the growth and equilibration of semiconductor surfaces consisting of monoatomic steps separated by flat terraces using kinetic Monte Carlo method. Atomistic processes such as diffusion on terraces, attachment/detachment particles to/from step edges, attachment of particles from an upper terrace to a bounding step, diffusion of particles along step edges are considered. A rate equation for each, these processes is written and the overall transition probabilities are calculated where processes are ordered to make the distinction between slow and fast processes Iractal The interaction of steps is also included in the calculation of rate equations. The growth of such a surface is simulated when there is a particle flux to the surface. The rough of the surface and its dependence on both temperature and kinetic parameters such edge diffusion barrier are investigated. The formation of islands on terraces is prohibited and the distribution of their number and sizes are investigated as a function of temperature and appropriate kinetic parameters. In the absence of a flux to the surface, the equilibration of the surface is investigated paying particular attention to the top of the profile when the initial surface is a periodic profile where parallel monoatomic steps separated by terraces. It is observed that during equilibration of the profile, the topmost step disintegrates quickly and leads to many islands on the top of the profile due to. collision and annihilation of step edges of opposite sign. The islands then quickly disintegrate due to the line tension effect and this scenario repeats itself until the surface completely flattens

  20. Simulated BRDF based on measured surface topography of metal

    Science.gov (United States)

    Yang, Haiyue; Haist, Tobias; Gronle, Marc; Osten, Wolfgang

    2017-06-01

    The radiative reflective properties of a calibration standard rough surface were simulated by ray tracing and the Finite-difference time-domain (FDTD) method. The simulation results have been used to compute the reflectance distribution functions (BRDF) of metal surfaces and have been compared with experimental measurements. The experimental and simulated results are in good agreement.

  1. Solar activity simulation and forecast with a flux-transport dynamo

    Science.gov (United States)

    Macario-Rojas, Alejandro; Smith, Katharine L.; Roberts, Peter C. E.

    2018-06-01

    We present the assessment of a diffusion-dominated mean field axisymmetric dynamo model in reproducing historical solar activity and forecast for solar cycle 25. Previous studies point to the Sun's polar magnetic field as an important proxy for solar activity prediction. Extended research using this proxy has been impeded by reduced observational data record only available from 1976. However, there is a recognised need for a solar dynamo model with ample verification over various activity scenarios to improve theoretical standards. The present study aims to explore the use of helioseismology data and reconstructed solar polar magnetic field, to foster the development of robust solar activity forecasts. The research is based on observationally inferred differential rotation morphology, as well as observed and reconstructed polar field using artificial neural network methods via the hemispheric sunspot areas record. Results show consistent reproduction of historical solar activity trends with enhanced results by introducing a precursor rise time coefficient. A weak solar cycle 25, with slow rise time and maximum activity -14.4% (±19.5%) with respect to the current cycle 24 is predicted.

  2. Astronaut Neil Armstrong participates in simulation of moon's surface

    Science.gov (United States)

    1969-01-01

    Astronaut Neil A. Armstrong, wearing an Extravehicular Mobility Unit, deploys a lunar surface television camera during lunar surface simulation training in bldg 9, Manned Spacecraft Center. Armstrong is the prime crew commander of the Apollo 11 lunar landing mission.

  3. Surface Dynamic Process Simulation with the Use of Cellular Automata

    International Nuclear Information System (INIS)

    Adamska-Szatko, M.; Bala, J.

    2010-01-01

    Cellular automata are known for many applications, especially for physical and biological simulations. Universal cellular automata can be used for modelling complex natural phenomena. The paper presents simulation of surface dynamic process. Simulation uses 2-dimensional cellular automata algorithm. Modelling and visualisation were created by in-house developed software with standard OpenGL graphic library. (authors)

  4. Rough surface scattering simulations using graphics cards

    International Nuclear Information System (INIS)

    Klapetek, Petr; Valtr, Miroslav; Poruba, Ales; Necas, David; Ohlidal, Miloslav

    2010-01-01

    In this article we present results of rough surface scattering calculations using a graphical processing unit implementation of the Finite Difference in Time Domain algorithm. Numerical results are compared to real measurements and computational performance is compared to computer processor implementation of the same algorithm. As a basis for computations, atomic force microscope measurements of surface morphology are used. It is shown that the graphical processing unit capabilities can be used to speedup presented computationally demanding algorithms without loss of precision.

  5. Simulation Tool for GNSS Ocean Surface Reflections

    DEFF Research Database (Denmark)

    Høeg, Per; von Benzon, Hans-Henrik; Durgonics, Tibor

    2015-01-01

    GNSS coherent and incoherent reflected signals have the potential of deriving large scale parameters of ocean surfaces, as barotropic variability, eddy currents and fronts, Rossby waves, coastal upwelling, mean ocean surfaceheights, and patterns of the general ocean circulation. In the reflection...... zone the measurements may deriveparameters as sea surface roughness, winds, waves, heights and tilts from the spectral measurements. Previous measurements from the top of mountains and airplanes have shown such results leading.The coming satellite missions, CYGNSS, COSMIC-2, and GEROS...

  6. Conflict simulation for surface transport systems

    International Nuclear Information System (INIS)

    Keeton, S.C.; De Laquil, P. III.

    1977-07-01

    An important element in the analysis of transportation safeguards systems is the determination of the outcome of an armed attack against the system. Such information is necessary to understand relationships among the various defender tactics, weapons systems, and adversary attributes. A battle model, SABRES, which can simulate safeguards engagements is under development. This paper briefly describes the first phase of SABRES and presents some examples of its capabilities

  7. Numerical simulations of viscoelastic flows with free surfaces

    DEFF Research Database (Denmark)

    Comminal, Raphaël; Spangenberg, Jon; Hattel, Jesper Henri

    2013-01-01

    We present a new methodology to simulate viscoelastic flows with free-surfaces. These simulations are motivated by the modelling of polymers manufacturing techniques, such as extrusion and injection moulding. One of the consequences of viscoelasticity is that polymeric materials have a “memory...

  8. Surface radiation fluxes in transient climate simulations

    Science.gov (United States)

    Garratt, J. R.; O'Brien, D. M.; Dix, M. R.; Murphy, J. M.; Stephens, G. L.; Wild, M.

    1999-01-01

    Transient CO 2 experiments from five coupled climate models, in which the CO 2 concentration increases at rates of 0.6-1.1% per annum for periods of 75-200 years, are used to document the responses of surface radiation fluxes, and associated atmospheric properties, to the CO 2 increase. In all five models, the responses of global surface temperature and column water vapour are non-linear and fairly tightly constrained. Thus, global warming lies between 1.9 and 2.7 K at doubled, and between 3.1 and 4.1 K at tripled, CO 2, whilst column water vapour increases by between 3.5 and 4.5 mm at doubled, and between 7 and 8 mm at tripled, CO 2. Global cloud fraction tends to decrease by 1-2% out to tripled CO 2, mainly the result of decreases in low cloud. Global increases in column water, and differences in these increases between models, are mainly determined by the warming of the tropical oceans relative to the middle and high latitudes; these links are emphasised in the zonal profiles of warming and column water vapour increase, with strong water vapour maxima in the tropics. In all models the all-sky shortwave flux to the surface S↓ (global, annual average) changes by less than 5 W m -2 out to tripled CO 2, in some cases being essentially invariant in time. In contrast, the longwave flux to the surface L↓ increases significantly, by 25 W m -2 typically at tripled CO 2. The variations of S↓ and L↓ (clear-sky and all-sky fluxes) with increase in CO 2 concentration are generally non-linear, reflecting the effects of ocean thermal inertia, but as functions of global warming are close to linear in all five models. This is best illustrated for the clear-sky downwelling fluxes, and the net radiation. Regionally, as illustrated in zonal profiles and global distributions, greatest changes in both S↓ and L↓ are the result primarily of local maxima in warming and column water vapour increases.

  9. Local grid refinement for free-surface flow simulations

    NARCIS (Netherlands)

    van der Plas, Peter

    2017-01-01

    The principal goal of the current study is to explore and investigate the potential of local grid refinement for increasing the numerical efficiency of free-surface flow simulations in a practical context. In this thesis we propose a method for local grid refinement in the free-surface flow model

  10. Simulation of Solar Radiation Incident on Horizontal and Inclined Surfaces

    Directory of Open Access Journals (Sweden)

    MA Basunia

    2012-12-01

    Full Text Available A computer model was developed to simulate the hourly, daily and monthly average of daily solar radiation on horizontal and inclined surfaces. The measured hourly and daily solar radiation was compared with simulated radiation, and favourable agreement was observed for the measured and predicted values on clear days. The measured and simulated monthly averages of total (diffuse and beam daily solar radiation were compared and a reasonable agreement was observed for a number of stations in Japan. The simulation showed that during the rice harvesting season, September to October, there is a daily average of 14.7 MJ/m2 of solar irradiation on a horizontal surface in Matsuyama, Japan. There is a similar amount of solar radiation on a horizontal surface during the major rice harvesting season, November to December, in Bangladesh. This radiation can be effectively utilized for drying rough rice and other farm crops.

  11. Performance evaluation of sea surface simulation methods for target detection

    Science.gov (United States)

    Xia, Renjie; Wu, Xin; Yang, Chen; Han, Yiping; Zhang, Jianqi

    2017-11-01

    With the fast development of sea surface target detection by optoelectronic sensors, machine learning has been adopted to improve the detection performance. Many features can be learned from training images by machines automatically. However, field images of sea surface target are not sufficient as training data. 3D scene simulation is a promising method to address this problem. For ocean scene simulation, sea surface height field generation is the key point to achieve high fidelity. In this paper, two spectra-based height field generation methods are evaluated. Comparison between the linear superposition and linear filter method is made quantitatively with a statistical model. 3D ocean scene simulating results show the different features between the methods, which can give reference for synthesizing sea surface target images with different ocean conditions.

  12. Simple model of surface roughness for binary collision sputtering simulations

    Energy Technology Data Exchange (ETDEWEB)

    Lindsey, Sloan J. [Institute of Solid-State Electronics, TU Wien, Floragasse 7, A-1040 Wien (Austria); Hobler, Gerhard, E-mail: gerhard.hobler@tuwien.ac.at [Institute of Solid-State Electronics, TU Wien, Floragasse 7, A-1040 Wien (Austria); Maciążek, Dawid; Postawa, Zbigniew [Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30348 Kraków (Poland)

    2017-02-15

    Highlights: • A simple model of surface roughness is proposed. • Its key feature is a linearly varying target density at the surface. • The model can be used in 1D/2D/3D Monte Carlo binary collision simulations. • The model fits well experimental glancing incidence sputtering yield data. - Abstract: It has been shown that surface roughness can strongly influence the sputtering yield – especially at glancing incidence angles where the inclusion of surface roughness leads to an increase in sputtering yields. In this work, we propose a simple one-parameter model (the “density gradient model”) which imitates surface roughness effects. In the model, the target’s atomic density is assumed to vary linearly between the actual material density and zero. The layer width is the sole model parameter. The model has been implemented in the binary collision simulator IMSIL and has been evaluated against various geometric surface models for 5 keV Ga ions impinging an amorphous Si target. To aid the construction of a realistic rough surface topography, we have performed MD simulations of sequential 5 keV Ga impacts on an initially crystalline Si target. We show that our new model effectively reproduces the sputtering yield, with only minor variations in the energy and angular distributions of sputtered particles. The success of the density gradient model is attributed to a reduction of the reflection coefficient – leading to increased sputtering yields, similar in effect to surface roughness.

  13. Simple model of surface roughness for binary collision sputtering simulations

    International Nuclear Information System (INIS)

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

    2017-01-01

    Highlights: • A simple model of surface roughness is proposed. • Its key feature is a linearly varying target density at the surface. • The model can be used in 1D/2D/3D Monte Carlo binary collision simulations. • The model fits well experimental glancing incidence sputtering yield data. - Abstract: It has been shown that surface roughness can strongly influence the sputtering yield – especially at glancing incidence angles where the inclusion of surface roughness leads to an increase in sputtering yields. In this work, we propose a simple one-parameter model (the “density gradient model”) which imitates surface roughness effects. In the model, the target’s atomic density is assumed to vary linearly between the actual material density and zero. The layer width is the sole model parameter. The model has been implemented in the binary collision simulator IMSIL and has been evaluated against various geometric surface models for 5 keV Ga ions impinging an amorphous Si target. To aid the construction of a realistic rough surface topography, we have performed MD simulations of sequential 5 keV Ga impacts on an initially crystalline Si target. We show that our new model effectively reproduces the sputtering yield, with only minor variations in the energy and angular distributions of sputtered particles. The success of the density gradient model is attributed to a reduction of the reflection coefficient – leading to increased sputtering yields, similar in effect to surface roughness.

  14. Molecular dynamics simulation of annealed ZnO surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Min, Tjun Kit; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

    2015-04-24

    The effect of thermally annealing a slab of wurtzite ZnO, terminated by two surfaces, (0001) (which is oxygen-terminated) and (0001{sup ¯}) (which is Zn-terminated), is investigated via molecular dynamics simulation by using reactive force field (ReaxFF). We found that upon heating beyond a threshold temperature of ∼700 K, surface oxygen atoms begin to sublimate from the (0001) surface. The ratio of oxygen leaving the surface at a given temperature increases as the heating temperature increases. A range of phenomena occurring at the atomic level on the (0001) surface has also been explored, such as formation of oxygen dimers on the surface and evolution of partial charge distribution in the slab during the annealing process. It was found that the partial charge distribution as a function of the depth from the surface undergoes a qualitative change when the annealing temperature is above the threshold temperature.

  15. Computer simulation of the topography evolution on ion bombarded surfaces

    CERN Document Server

    Zier, M

    2003-01-01

    The development of roughness on ion bombarded surfaces (facets, ripples) on single crystalline and amorphous homogeneous solids plays an important role for example in depth profiling techniques. To verify a faceting mechanism based not only on sputtering by directly impinging ions but also on the contribution of reflected ions and the redeposition of sputtered material a computer simulation has been carried out. The surface in this model is treated as a two-dimensional line segment profile. The model describes the topography evolution on ion bombarded surfaces including the growth mechanism of a facetted surface, using only the interplay of reflected and primary ions and redeposited atoms.

  16. Simulation of Martian surface-atmosphere interaction in a space-simulator: Technical considerations and feasibility

    Science.gov (United States)

    Moehlmann, D.; Kochan, H.

    1992-01-01

    The Space Simulator of the German Aerospace Research Establishment at Cologne, formerly used for testing satellites, is now, since 1987, the central unit within the research sub-program 'Comet-Simulation' (KOSI). The KOSI team has investigated physical processes relevant to comets and their surfaces. As a byproduct we gained experience in sample-handling under simulated space conditions. In broadening the scope of the research activities of the DLR Institute of Space Simulation an extension to 'Laboratory-Planetology' is planned. Following the KOSI-experiments a Mars Surface-Simulation with realistic minerals and surface soil in a suited environment (temperature, pressure, and CO2-atmosphere) is foreseen as the next step. Here, our main interest is centered on thermophysical properties of the Martian surface and energy transport (and related gas transport) through the surface. These laboratory simulation activities can be related to space missions as typical pre-mission and during-the-mission support of the experiments design and operations (simulation in parallel). Post mission experiments for confirmation and interpretation of results are of great value. The physical dimensions of the Space Simulator (cylinder of about 2.5 m diameter and 5 m length) allows for testing and qualification of experimental hardware under realistic Martian conditions.

  17. Superhydrophobic surfaces: From nature to biomimetic through VOF simulation.

    Science.gov (United States)

    Liu, Chunbao; Zhu, Ling; Bu, Weiyang; Liang, Yunhong

    2018-04-01

    The contact angle, surface structure and chemical compositions of Canna leaves were investigated. According to the surface structure of Canna leaves which observed by Scanning Electron Microscopy(SEM), the CFD (Computational Fluid Dynamics)model was established and the method of volume of fluid (VOF) was used to simulate the process of droplet impacting on the surface and established a smooth surface for comparison to verify that the surface structure was an important factor of the superhydrophobic properties. Based on the study of Canna leaf and VOF simulation of its surface structure, the superhydrophobic samples were processed successfully and showed a good superhydrophobic property with a contact angle of 156 ± 1 degrees. A high-speed camera (5000 frames per second) was used to assess droplet movement and determine the contact time of the samples. The contact time for the sample was 13.1 ms. The results displayed that the artificial superhydrophobic surface is perfect for the performance of superhydrophobic properties. The VOF simulation method was efficient, accurate and low cost before machining artificial superhydrophobic samples. Copyright © 2018 Elsevier Ltd. All rights reserved.

  18. Implicit vessel surface reconstruction for visualization and CFD simulation

    International Nuclear Information System (INIS)

    Schumann, Christian; Peitgen, Heinz-Otto; Neugebauer, Mathias; Bade, Ragnar; Preim, Bernhard

    2008-01-01

    Accurate and high-quality reconstructions of vascular structures are essential for vascular disease diagnosis and blood flow simulations.These applications necessitate a trade-off between accuracy and smoothness. An additional requirement for the volume grid generation for Computational Fluid Dynamics (CFD) simulations is a high triangle quality. We propose a method that produces an accurate reconstruction of the vessel surface with satisfactory surface quality. A point cloud representing the vascular boundary is generated based on a segmentation result. Thin vessels are subsampled to enable an accurate reconstruction. A signed distance field is generated using Multi-level Partition of Unity Implicits and subsequently polygonized using a surface tracking approach. To guarantee a high triangle quality, the surface is remeshed. Compared to other methods, our approach represents a good trade-off between accuracy and smoothness. For the tested data, the average surface deviation to the segmentation results is 0.19 voxel diagonals and the maximum equi-angle skewness values are below 0.75. The generated surfaces are considerably more accurate than those obtained using model-based approaches. Compared to other model-free approaches, the proposed method produces smoother results and thus better supports the perception and interpretation of the vascular topology. Moreover, the triangle quality of the generated surfaces is suitable for CFD simulations. (orig.)

  19. Microprocessor-based simulator of surface ECG signals

    International Nuclear Information System (INIS)

    MartInez, A E; Rossi, E; Siri, L Nicola

    2007-01-01

    In this work, a simulator of surface electrocardiogram recorded signals (ECG) is presented. The device, based on a microcontroller and commanded by a personal computer, produces an analog signal resembling actual ECGs, not only in time course and voltage levels, but also in source impedance. The simulator is a useful tool for electrocardiograph calibration and monitoring, to incorporate as well in educational tasks and in clinical environments for early detection of faulty behaviour

  20. Simulations of surface stress effects in nanoscale single crystals

    Science.gov (United States)

    Zadin, V.; Veske, M.; Vigonski, S.; Jansson, V.; Muszinsky, J.; Parviainen, S.; Aabloo, A.; Djurabekova, F.

    2018-04-01

    Onset of vacuum arcing near a metal surface is often associated with nanoscale asperities, which may dynamically appear due to different processes ongoing in the surface and subsurface layers in the presence of high electric fields. Thermally activated processes, as well as plastic deformation caused by tensile stress due to an applied electric field, are usually not accessible by atomistic simulations because of the long time needed for these processes to occur. On the other hand, finite element methods, able to describe the process of plastic deformations in materials at realistic stresses, do not include surface properties. The latter are particularly important for the problems where the surface plays crucial role in the studied process, as for instance, in the case of plastic deformations at a nanovoid. In the current study by means of molecular dynamics (MD) and finite element simulations we analyse the stress distribution in single crystal copper containing a nanovoid buried deep under the surface. We have developed a methodology to incorporate the surface effects into the solid mechanics framework by utilizing elastic properties of crystals, pre-calculated using MD simulations. The method leads to computationally efficient stress calculations and can be easily implemented in commercially available finite element software, making it an attractive analysis tool.

  1. Theory of flux cutting and flux transport at the critical current of a type-II superconducting cylindrical wire

    International Nuclear Information System (INIS)

    Clem, John R.

    2011-01-01

    I introduce a critical-state theory incorporating both flux cutting and flux transport to calculate the magnetic-field and current-density distributions inside a type-II superconducting cylinder at its critical current in a longitudinal applied magnetic field. The theory is an extension of the elliptic critical-state model introduced by Romero-Salazar and Perez-Rodriguez. The vortex dynamics depend in detail on two nonlinear effective resistivities for flux cutting (ρ(parallel)) and flux flow (ρ(perpendicular)), and their ratio r = ρ(parallel)/ρ(perpendicular). When r c (φ) that makes the vortex arc unstable.

  2. Moving least squares simulation of free surface flows

    DEFF Research Database (Denmark)

    Felter, C. L.; Walther, Jens Honore; Henriksen, Christian

    2014-01-01

    In this paper a Moving Least Squares method (MLS) for the simulation of 2D free surface flows is presented. The emphasis is on the governing equations, the boundary conditions, and the numerical implementation. The compressible viscous isothermal Navier–Stokes equations are taken as the starting ...

  3. Scattering from objects and surfaces in room acoustical simulations

    DEFF Research Database (Denmark)

    Marbjerg, Gerd Høy; Brunskog, Jonas; Jeong, Cheol-Ho

    2016-01-01

    been implemented in the simulation tool PARISM (Phased Acoustical Radiosity and Image Source Method). Scattering from objects and surfaces is likely to be strongly frequency dependent and the frequency dependence can depend on their sizes, shapes and structure. The importance of the frequency...

  4. Astronaut Neil Armstrong participates in lunar surface simulation training

    Science.gov (United States)

    1969-01-01

    Astronaut Neil A. Armstrong, wearing an Extravehicular Mobility Unit (EMU), participates in lunar surface simulation training on April 18, 1969 in bldg 9, Manned Spacecraft Center. Armstrong is the prime crew commander of the Apollo 11 lunar landing mission. Here, he is standing on Lunar Module mockup foot pad preparing to ascend steps.

  5. Computer simulation of RBS spectra from samples with surface roughness

    Energy Technology Data Exchange (ETDEWEB)

    Malinský, P., E-mail: malinsky@ujf.cas.cz [Nuclear Physics Institute of the Academy of Sciences of the Czech Republic, v. v. i., 250 68 Rez (Czech Republic); Department of Physics, Faculty of Science, J. E. Purkinje University, Ceske mladeze 8, 400 96 Usti nad Labem (Czech Republic); Hnatowicz, V., E-mail: hnatowicz@ujf.cas.cz [Nuclear Physics Institute of the Academy of Sciences of the Czech Republic, v. v. i., 250 68 Rez (Czech Republic); Macková, A., E-mail: mackova@ujf.cas.cz [Nuclear Physics Institute of the Academy of Sciences of the Czech Republic, v. v. i., 250 68 Rez (Czech Republic); Department of Physics, Faculty of Science, J. E. Purkinje University, Ceske mladeze 8, 400 96 Usti nad Labem (Czech Republic)

    2016-03-15

    A fast code for the simulation of common RBS spectra including surface roughness effects has been written and tested on virtual samples comprising either a rough layer deposited on a smooth substrate or smooth layer deposited on a rough substrate and simulated at different geometries. The sample surface or interface relief has been described by a polyline and the simulated RBS spectrum has been obtained as the sum of many particular spectra from randomly chosen particle trajectories. The code includes several procedures generating virtual samples with random and regular (periodical) roughness. The shape of the RBS spectra has been found to change strongly with increasing sample roughness and an increasing angle of the incoming ion beam.

  6. Simulation of liquid crystals. Disclinations and surface modification

    International Nuclear Information System (INIS)

    Downton, M.

    2001-01-01

    In this thesis we investigate the behaviour of molecular models liquid crystals in several different situations. Basic introductory material on liquid crystals and computer simulations is discussed in the first two chapters, we then discuss the research. The third chapter investigates the interaction between a liquid crystal and a modified surface. A confined system of hard spherocylinders in a slab geometry is examined. The surface consists of planar hard walls with elongated molecules grafted perpendicularly onto them. The concentration of grafted molecules is varied to give different surfaces. Several different behaviours are found including planar, homeotropic and tilted anchorings of the liquid crystal. Molecular dynamics simulations of a nematic liquid crystal in slab geometry with twisted boundary conditions are performed. By arranging the initial configuration suitably it is possible to create a simulation cell with two regions of opposite twist separated by a strength half disclination line. The properties of the line are examined both with and without an applied external field. Finally, we again examine the system of grafted molecules on a flat substrate using an atomistic model of both the liquid crystal and the surface molecules. Again the effect of varying the density of grafted molecules is found to change the anchoring characteristics of the surface; both homeotropic and planar anchorings are observed. (author)

  7. Simulating condensation on microstructured surfaces using Lattice Boltzmann Method

    Science.gov (United States)

    Alexeev, Alexander; Vasyliv, Yaroslav

    2017-11-01

    We simulate a single component fluid condensing on 2D structured surfaces with different wettability. To simulate the two phase fluid, we use the athermal Lattice Boltzmann Method (LBM) driven by a pseudopotential force. The pseudopotential force results in a non-ideal equation of state (EOS) which permits liquid-vapor phase change. To account for thermal effects, the athermal LBM is coupled to a finite volume discretization of the temperature evolution equation obtained using a thermal energy rate balance for the specific internal energy. We use the developed model to probe the effect of surface structure and surface wettability on the condensation rate in order to identify microstructure topographies promoting condensation. Financial support is acknowledged from Kimberly-Clark.

  8. Simple model of surface roughness for binary collision sputtering simulations

    Science.gov (United States)

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

    2017-02-01

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

  9. Wave optics simulation of statistically rough surface scatter

    Science.gov (United States)

    Lanari, Ann M.; Butler, Samuel D.; Marciniak, Michael; Spencer, Mark F.

    2017-09-01

    The bidirectional reflectance distribution function (BRDF) describes optical scatter from surfaces by relating the incident irradiance to the exiting radiance over the entire hemisphere. Laboratory verification of BRDF models and experimentally populated BRDF databases are hampered by sparsity of monochromatic sources and ability to statistically control the surface features. Numerical methods are able to control surface features, have wavelength agility, and via Fourier methods of wave propagation, may be used to fill the knowledge gap. Monte-Carlo techniques, adapted from turbulence simulations, generate Gaussian distributed and correlated surfaces with an area of 1 cm2 , RMS surface height of 2.5 μm, and correlation length of 100 μm. The surface is centered inside a Kirchhoff absorbing boundary with an area of 16 cm2 to prevent wrap around aliasing in the far field. These surfaces are uniformly illuminated at normal incidence with a unit amplitude plane-wave varying in wavelength from 3 μm to 5 μm. The resultant scatter is propagated to a detector in the far field utilizing multi-step Fresnel Convolution and observed at angles from -2 μrad to 2 μrad. The far field scatter is compared to both a physical wave optics BRDF model (Modified Beckmann Kirchhoff) and two microfacet BRDF Models (Priest, and Cook-Torrance). Modified Beckmann Kirchhoff, which accounts for diffraction, is consistent with simulated scatter for multiple wavelengths for RMS surface heights greater than λ/2. The microfacet models, which assume geometric optics, are less consistent across wavelengths. Both model types over predict far field scatter width for RMS surface heights less than λ/2.

  10. Molecular Dynamics Simulations of Slip on Curved Surfaces

    Directory of Open Access Journals (Sweden)

    Ross D.A.

    2016-07-01

    Full Text Available We present Molecular Dynamics (MD simulations of liquid water confined within nanoscale geometries, including slit-like and cylindrical graphitic pores. These equilibrium results are used for calculating friction coefficients, which in turn can be used to calculate slip lengths. The slip length is a material property independent of the fluid flow rate. It is therefore a better quantity for study than the fluid velocity at the wall, also known as the slip velocity. Once the slip length has been found as a function of surface curvature, it can be used to parameterise Lattice Boltzmann (LB simulations. These larger scale simulations are able to tell us about how fluid transport is affected by slip in complex geometries; not just limited to single pores. Applications include flow and transport in nano-porous engine valve deposits and gas shales. The friction coefficient is found to be a function of curvature and is higher for fluid on convex surfaces and lower for concave surfaces. Both concave and convex surfaces approach the same value of the friction coefficient, which is constant above some critical radius of curvature, here found to be 7.4 ± 2.9 nm. The constant value of the friction coefficient is 10,000 ± 600 kg m−2 s−1, which is equivalent to a slip length of approximately 67 ± 4 nm.

  11. Modelling and simulation of surface morphology driven by ion bombardment

    Energy Technology Data Exchange (ETDEWEB)

    Yewande, E.O.

    2006-05-02

    Non-equilibrium surfaces, at nanometer length scales, externally driven via bombardment with energetic particles are known to exhibit well ordered patterns with a variety of applications in nano-technology. These patterns emerge at time scales on the order of minutes. Continuum theory has been quite successful in giving a general picture of the processes that interplay to give the observed patterns, as well as how such competition might determine the properties of the nanostructures. However, continuum theoretical descriptions are ideal only in the asymptotic limit. The only other theoretical alternative, which happens to be more suitable for the characteristic length-and time-scales of pattern formation, is Monte Carlo simulation. In this thesis, surface morphology is studied using discrete solid-on-solid Monte Carlo models of sputtering and surface diffusion. The simulations are performed in the context of the continuum theories and experiments. In agreement with the experiments, the ripples coarsen with time and the ripple velocity exhibits a power-law behaviour with the ripple wavelength, in addition, the exponent was found to depend on the simulation temperature, which suggests future experimental studies of flux dependence. Moreover, a detailed exploration of possible topographies, for different sputtering conditions, corresponding to different materials, was performed. And different surface topographies e.g. holes, ripples, and dots, were found at oblique incidence, without sample rotation. With sample rotation no new topography was found, its only role being to destroy any inherent anisotropy in the system. (orig.)

  12. Discrete dislocation simulations of the flattening of nanoimprinted surfaces

    International Nuclear Information System (INIS)

    Zhang, Yunhe; Nicola, Lucia; Van der Giessen, Erik

    2010-01-01

    Simulations of rough surface flattening are performed on thin metal films whose roughness is created by nanoimprinting flat single crystals. The imprinting is carried out by means of a rigid template with equal flat contacts at varying spacing. The imprinted surfaces are subsequently flattened by a rigid platen, while the change of roughness and surface profile is computed. Attention is focused mainly on comparing the response of the film surfaces with those of identical films cleared of the dislocations and residual stresses left by the imprinting process. The aim of these studies is to understand to what extent the loading history affects deformation and roughness during flattening. The limiting cases of sticking and frictionless contact between rough surface and platen are analyzed. Results show that when the asperities are flattened such that the contact area is up to about one third of the surface area, the loading history strongly affects the flattening. Specifically, the presence of initial dislocations facilitates the squeezing of asperities independently of the friction conditions of the contact. For larger contact areas, the initial conditions affect only sticking contacts, while frictionless contacts lead to a homogeneous flattening of the asperities due to yield of the metal film. In all cases studied the final surface profile obtained after flattening has little to no resemblance to the original imprinted surface

  13. Surface Ship Shock Modeling and Simulation: Two-Dimensional Analysis

    Directory of Open Access Journals (Sweden)

    Young S. Shin

    1998-01-01

    Full Text Available The modeling and simulation of the response of a surface ship system to underwater explosion requires an understanding of many different subject areas. These include the process of underwater explosion events, shock wave propagation, explosion gas bubble behavior and bubble-pulse loading, bulk and local cavitation, free surface effect, fluid-structure interaction, and structural dynamics. This paper investigates the effects of fluid-structure interaction and cavitation on the response of a surface ship using USA-NASTRAN-CFA code. First, the one-dimensional Bleich-Sandler model is used to validate the approach, and second, the underwater shock response of a two-dimensional mid-section model of a surface ship is predicted with a surrounding fluid model using a constitutive equation of a bilinear fluid which does not allow transmission of negative pressures.

  14. A simulation of laser energy absorption by nanowired surface

    Energy Technology Data Exchange (ETDEWEB)

    Vasconcelos, Miguel F.S.; Ramos, Alexandre F., E-mail: miguel.vasconcelos@usp.br, E-mail: alex.ramos@usp.br [Universidade de São Paulo (USP), SP (Brazil). Escola de Artes, Ciências e Humanidades

    2017-07-01

    Despite recent advances on research about laser inertial fusion energy, to increase the portion of energy absorbed by the target's surface from lasers remains as an important challenge. The plasma formed during the initial instants of laser arrival shields the target and prevents the absorption of laser energy by the deeper layers of the material. One strategy to circumvent that effect is the construction of targets whose surfaces are populated with nanowires. The nanowired surfaces have increased absorption of laser energy and constitutes a promising pathway for enhancing laser-matter coupling. In our work we present the results of simulations aiming to investigate how target's geometrical properties might contribute for maximizing laser energy absorption by material. Simulations have been carried out using the software FLASH, a multi-physics platform developed by researchers from the University of Chicago, written in FORTRAN 90 and Python. Different tools for generating target's geometry and analysis of results were developed using Python. Our results show that a nanowired surfaces has an increased energy absorption when compared with non wired surface. The software for visualization developed in this work also allowed an analysis of the spatial dynamics of the target's temperature, electron density, ionization levels and temperature of the radiation emitted by it. (author)

  15. A simulation of laser energy absorption by nanowired surface

    International Nuclear Information System (INIS)

    Vasconcelos, Miguel F.S.; Ramos, Alexandre F.

    2017-01-01

    Despite recent advances on research about laser inertial fusion energy, to increase the portion of energy absorbed by the target's surface from lasers remains as an important challenge. The plasma formed during the initial instants of laser arrival shields the target and prevents the absorption of laser energy by the deeper layers of the material. One strategy to circumvent that effect is the construction of targets whose surfaces are populated with nanowires. The nanowired surfaces have increased absorption of laser energy and constitutes a promising pathway for enhancing laser-matter coupling. In our work we present the results of simulations aiming to investigate how target's geometrical properties might contribute for maximizing laser energy absorption by material. Simulations have been carried out using the software FLASH, a multi-physics platform developed by researchers from the University of Chicago, written in FORTRAN 90 and Python. Different tools for generating target's geometry and analysis of results were developed using Python. Our results show that a nanowired surfaces has an increased energy absorption when compared with non wired surface. The software for visualization developed in this work also allowed an analysis of the spatial dynamics of the target's temperature, electron density, ionization levels and temperature of the radiation emitted by it. (author)

  16. Computer simulation of RBS spectra from samples with surface roughness

    Czech Academy of Sciences Publication Activity Database

    Malinský, Petr; Hnatowicz, Vladimír; Macková, Anna

    2016-01-01

    Roč. 371, MAR (2016), s. 101-105 ISSN 0168-583X. [22nd International conference on Ion Beam Analysis (IBA). Opatija, 14.06.2015-19.06.2015] R&D Projects: GA MŠk(CZ) LM2011019; GA ČR GA15-01602S Institutional support: RVO:61389005 Keywords : computer simulation * Rutherford backscattering * surface roughness Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.109, year: 2016

  17. Molecular Dynamics Simulations of Water Droplets On Hydrophilic Silica Surfaces

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Walther, Jens Honore; Jaffe, Richard L.

    2009-01-01

    and DNA microarrays technologies.Although extensive experimental, theoretical and computational work has been devoted to study the nature of the interaction between silica and water, at the molecular level a complete understanding of silica-water systems has not been reached. Contact angle computations...... dynamics (MD) simulations of a hydrophilic air-water-silica system using the MD package FASTTUBE. We employ quantum chemistry calculation to obtain air-silica interaction parameters for the simulations. Our simulations are based in the following force fields: i) The silica-silica interaction is based...... of water droplets on silica surfaces offers a useful fundamental and quantitative measurement in order to study chemical and physical properties of water-silica systems. For hydrophobic systems the static and dynamic properties of the fluid-solid interface are influenced by the presence of air. Hence...

  18. Simulating Sediment Sorting of Streambed Surfaces - It's the Supply, Stupid

    Science.gov (United States)

    Wilcock, P. R.

    2014-12-01

    The grain size of the streambed surface is an integral part of the transport system because it represents the grains immediately available for transport. If the rate and size of grains entrained from the bed surface differ from that delivered to the bed surface, the bed surface grain size will change. Although this balance is intuitively clear, its implications can surprise. The relative mobility of different sizes in a mixture change as transport rates increase. At small transport rates, smaller sizes are more mobile. As transport rate increases, the transport grain size approaches that of the bed. This presents a dilemma when using flumes to simulate surface sorting and transport. When sediment is fed into a flume, the same sediment is typically used regardless of feed rate. The transport grain size remains constant at all rates, which does not match the pattern observed in the field. This operational constraint means that sediment supply is coarser than transport capacity in feed flumes, increasingly so as transport rates diminish. This imbalance drives a coarsening of the stream bed as less mobile coarse grains concentrate on the surface as the system approaches steady-state. If sediment is recirculated in a flume, sediment supply and entrainment are perfectly matched. Surface coarsening is not imposed, but does occur via kinematic sieving. The coarsening of the transport (and supply) accommodates the rate-dependent change in mobility such that the bed surface grain size does not change with transport rate. Streambed armoring depends on both the rate and grain size of sediment supply - their implications do not seem to be fully appreciated. A coarsened bed surface does not indicate sorting of the bed surface during waning flows - it can persist with active sediment supply and transport. Neither sediment feed nor sediment recirculating flumes accurately mimic natural conditions but instead represent end members that bracket the dynamics of natural streams

  19. Two dimensional simulation of high power laser-surface interaction

    International Nuclear Information System (INIS)

    Goldman, S.R.; Wilke, M.D.; Green, R.E.L.; Johnson, R.P.; Busch, G.E.

    1998-01-01

    For laser intensities in the range of 10 8 --10 9 W/cm 2 , and pulse lengths of order 10 microsec or longer, the authors have modified the inertial confinement fusion code Lasnex to simulate gaseous and some dense material aspects of the laser-matter interaction. The unique aspect of their treatment consists of an ablation model which defines a dense material-vapor interface and then calculates the mass flow across this interface. The model treats the dense material as a rigid two-dimensional mass and heat reservoir suppressing all hydrodynamic motion in the dense material. The computer simulations and additional post-processors provide predictions for measurements including impulse given to the target, pressures at the target interface, electron temperatures and densities in the vapor-plasma plume region, and emission of radiation from the target. The authors will present an analysis of some relatively well diagnosed experiments which have been useful in developing their modeling. The simulations match experimentally obtained target impulses, pressures at the target surface inside the laser spot, and radiation emission from the target to within about 20%. Hence their simulational technique appears to form a useful basis for further investigation of laser-surface interaction in this intensity, pulse-width range. This work is useful in many technical areas such as materials processing

  20. Noble Gas Surface Flux Simulations And Atmospheric Transport

    Energy Technology Data Exchange (ETDEWEB)

    Carrigan, Charles R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Sun, Yunwei [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Simpson, Matthew D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-09-30

    Signatures from underground nuclear explosions or UNEs are strongly influenced by the containment regime surrounding them. The degree of gas leakage from the detonation cavity to the surface obviously affects the magnitude of surface fluxes of radioxenon that might be detected during the course of a Comprehensive Test Ban Treaty On-Site Inspection. In turn, the magnitude of surface fluxes will influence the downwind detectability of the radioxenon atmospheric signature from the event. Less obvious is the influence that leakage rates have on the evolution of radioxenon isotopes in the cavity or the downwind radioisotopic measurements that might be made. The objective of this letter report is to summarize our attempt to better understand how containment conditions affect both the detection and interpretation of radioxenon signatures obtained from sampling at the ground surface near an event as well as at greater distances in the atmosphere. In the discussion that follows, we make no attempt to consider other sources of radioactive noble gases such as natural backgrounds or atmospheric contamination and, for simplicity, only focus on detonation-produced radioxenon gases. Summarizing our simulations, they show that the decay of radioxenon isotopes (e.g., Xe-133, Xe-131m, Xe-133m and Xe-135) and their migration to the surface following a UNE means that the possibility of detecting these gases exists within a window of opportunity. In some cases, seeps or venting of detonation gases may allow significant quantities to reach the surface and be released into the atmosphere immediately following a UNE. In other release scenarios – the ones we consider here – hours to days may be required for gases to reach the surface at detectable levels. These release models are most likely more characteristic of “fully contained” events that lack prompt venting, but which still leak gas slowly across the surface for periods of months.

  1. Atomistic simulations of bulk, surface and interfacial polymer properties

    Science.gov (United States)

    Natarajan, Upendra

    In chapter I, quasi-static molecular mechanics based simulations are used to estimate the activation energy of phenoxy rings flips in the amorphous region of a semicrystalline polyimide. Intra and intermolecular contributions to the flip activation energy, the torsional cooperativity accompanying the flip, and the effect of the flip on the motion in the glassy bulk state, are looked at. Also, comparison of the weighted mean activation energy is made with experimental data from solid state NMR measurements; the simulated value being 17.5 kcal/mol., while the experimental value was observed to be 10.5 kcal/mol. Chapter II deals with construction of random copolymer thin films of styrene-butadiene (SB) and styrene-butadiene-acrylonitrile (SBA). The structure and properties of the free surfaces presented by these thin films are analysed by, the atom mass density profiles, backbone bond orientation function, and the spatial distribution of acrylonitrile groups and styrene rings. The surface energies of SB and SBA are calculated using an atomistic equation and are compared with experimental data in the literature. In chapter III, simulations of polymer-polymer interfaces between like and unlike polymers, specifically cis-polybutadiene (PBD) and atatic polypropylene (PP), are presented. The structure of an incompatible polymer-polymer interface, and the estimation of the thermodynamic work of adhesion and interfacial energy between different incompatible polymers, form the focus here. The work of adhesion is calculated using an atomistic equation and is further used in a macroscopic equation to estimate the interfacial energy. The interfacial energy is compared with typical values for other immiscible systems in the literature. The interfacial energy compared very well with interfacial energy values for a few other immiscible hydrocarbon pairs. In chapter IV, the study proceeds to look at the interactions between nonpolar and polar small molecules with SB and SBA thin

  2. Surface processing with ionized cluster beams: computer simulation

    International Nuclear Information System (INIS)

    Insepov, Z.; Yamada, I.

    1999-01-01

    Molecular Dynamics (MD) and Monte Carlo (MC) models of energetic gas cluster irradiation of a solid surface have been developed to investigate the phenomena of crater formation, sputtering, surface treatment, and the material hardness evaluation by irradiation with cluster ions. Theoretical estimation of crater dimensions formed with Ar gas cluster ion irradiation of different substrates, based on hydrodynamics and MD simulation, are presented. The atomic scale shock waves arising from cluster impact were obtained by calculating the pressure, temperature and mass-velocity of the target atoms. The crater depth is given as a unique 1/3 dependence on the cluster energy and on the cold material Brinell hardness number (BHN). A new 'true material hardness' scale which can be very useful for example for thin film coatings deposited on a soft substrate, is defined. This finding could be used as a new technique for measuring of a material hardness. Evolution of surface morphology under cluster ion irradiation was described by the surface relaxation equation which contains a term of crater formation at cluster impact. The formation of ripples on a surface irradiated with oblique cluster ion beams was predicted. MD and MC models of Decaborane ion (B 10 H 14 ) implantation into Si and the following rapid thermal annealing (RTA) have been developed

  3. Molecular dynamics simulation of uranium compound adsorption on solid surface

    International Nuclear Information System (INIS)

    Omori, Yuki; Takizawa, Yuji; Okamoto, Tsuyoshi

    2010-01-01

    Particles mixed in the UF6 gas have the property of accumulating on the inside of piping or units. This type of accumulation will cause material unaccounted for (MUF) in the UF6 gas processing facilities. Development of a calculation model for estimating the accumulation rate of uranium compounds has been expected. And predicting possible part of the units where uranium compounds adsorb will contribute to design an effective detection system. The purpose of this study is to take the basic knowledge of the particle's adsorption mechanism from the microscopic point of view. In simulation analysis, UF5 model particle is produced, then two types of solid surfaces are prepared; one is a solid surface at rest and the other is a moving solid surface. The result obtained by the code 'PABS' showed that when the solid surface moves at a lower velocity, the particle's adsorption process dominates over the particle's breakup one. Besides the velocity of the solid surface, other principal factors affecting an adsorption ratio were also discussed. (author)

  4. Solvent accessible surface area (ASA) of simulated phospholipid membranes

    DEFF Research Database (Denmark)

    Tuchsen, E.; Jensen, Morten Østergaard; Westh, P.

    2003-01-01

    The membrane-solvent interface has been investigated through calculations of the solvent accessible surface area (ASA) for simulated membranes of DPPC and POPE. For DPPC at 52 degreesC we found an ASA of 126 +/- 8 Angstrom(2) per lipid molecule, equivalent to twice the projected lateral area......, even the most exposed parts of the PC head-group show average ASAs of less than half of its maximal or 'fully hydrated' value. The average ASA of a simulated POPE membrane was 96 +/- 7 Angstrom(2) per lipid. The smaller value than for DPPC reflects much lower ASA of the ammonium ion, which is partially...... compensated by increased exposure of the ethylene and phosphate moieties. The ASA of the polar moieties Of (PO4, NH3 and COO) constitutes 65% of the total accessible area for POPE, making this interface more polar than that of DPPC. It is suggested that ASA information can be valuable in attempts...

  5. View-Dependent Tessellation and Simulation of Ocean Surfaces

    Directory of Open Access Journals (Sweden)

    Anna Puig-Centelles

    2014-01-01

    Full Text Available Modeling and rendering realistic ocean scenes have been thoroughly investigated for many years. Its appearance has been studied and it is possible to find very detailed simulations where a high degree of realism is achieved. Nevertheless, among the solutions to ocean rendering, real-time management of the huge heightmaps that are necessary for rendering an ocean scene is still not solved. We propose a new technique for simulating the ocean surface on GPU. This technique is capable of offering view-dependent approximations of the mesh while maintaining coherence among the extracted approximations. This feature is very important as most solutions previously presented must retessellate from the initial mesh. Our solution is able to use the latest extracted approximation when refining or coarsening the mesh.

  6. Simulation of gas compressible flow by free surface water flow

    International Nuclear Information System (INIS)

    Altafini, C.R.; Silva Ferreira, R.T. da

    1981-01-01

    The analogy between the water flow with a free surface and the compressible fluid flow, commonly called hydraulic analogy, is analyzed and its limitations are identified. The water table is the equipment used for this simulation, which allows the quatitative analysis of subsonic and supersonic flow with a low cost apparatus. The hydraulic analogy is applied to subsonic flow around circular cylinders and supersonic flow around cones. The results are compared with available theoretical and experimental data and a good agreement is achieved. (Author) [pt

  7. Fast simulation tool for ultraviolet radiation at the earth's surface

    Science.gov (United States)

    Engelsen, Ola; Kylling, Arve

    2005-04-01

    FastRT is a fast, yet accurate, UV simulation tool that computes downward surface UV doses, UV indices, and irradiances in the spectral range 290 to 400 nm with a resolution as small as 0.05 nm. It computes a full UV spectrum within a few milliseconds on a standard PC, and enables the user to convolve the spectrum with user-defined and built-in spectral response functions including the International Commission on Illumination (CIE) erythemal response function used for UV index calculations. The program accounts for the main radiative input parameters, i.e., instrumental characteristics, solar zenith angle, ozone column, aerosol loading, clouds, surface albedo, and surface altitude. FastRT is based on look-up tables of carefully selected entries of atmospheric transmittances and spherical albedos, and exploits the smoothness of these quantities with respect to atmospheric, surface, geometrical, and spectral parameters. An interactive site, http://nadir.nilu.no/~olaeng/fastrt/fastrt.html, enables the public to run the FastRT program with most input options. This page also contains updated information about FastRT and links to freely downloadable source codes and binaries.

  8. Theory and simulations of adhesion receptor dimerization on membrane surfaces.

    Science.gov (United States)

    Wu, Yinghao; Honig, Barry; Ben-Shaul, Avinoam

    2013-03-19

    The equilibrium constants of trans and cis dimerization of membrane bound (2D) and freely moving (3D) adhesion receptors are expressed and compared using elementary statistical-thermodynamics. Both processes are mediated by the binding of extracellular subdomains whose range of motion in the 2D environment is reduced upon dimerization, defining a thin reaction shell where dimer formation and dissociation take place. We show that the ratio between the 2D and 3D equilibrium constants can be expressed as a product of individual factors describing, respectively, the spatial ranges of motions of the adhesive domains, and their rotational freedom within the reaction shell. The results predicted by the theory are compared to those obtained from a novel, to our knowledge, dynamical simulations methodology, whereby pairs of receptors perform realistic translational, internal, and rotational motions in 2D and 3D. We use cadherins as our model system. The theory and simulations explain how the strength of cis and trans interactions of adhesive receptors are affected both by their presence in the constrained intermembrane space and by the 2D environment of membrane surfaces. Our work provides fundamental insights as to the mechanism of lateral clustering of adhesion receptors after cell-cell contact and, more generally, to the formation of lateral microclusters of proteins on cell surfaces. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  9. Simulation of actuated synthetic cilia expelling microorganisms from a surface

    Science.gov (United States)

    Shum, Henry; Tripathi, Anurag; Yeomans, Julia; Balazs, Anna

    2013-11-01

    The continual motion of cilia provides a defense against biofouling for a variety of marine organisms. Inspired by this natural solution, we perform numerical simulations to study the interactions between actuated, biomimetic cilia and model microswimmers that are hydrodynamically attracted to bare surfaces and therefore behave similarly to fouling organisms. The 3-dimensional fluid flow is coupled to the motion of the cilia and swimmers using an integrated lattice Boltzmann and immersed boundary method. We show that a sparse array of actuated cilia, through which the organisms are able to swim, is able to robustly expel swimmers. The average residence time of the swimmers in the ciliary layer is reduced if the motion of the cilia generates a net fluid flow, but for relatively fast swimmers, the steric interaction with the moving cilia alone is sufficient to ``knock'' the organisms away from the surface. As the demonstrated mechanisms for antifouling do not rely on specific chemical or physical properties of the surface or swimmer, actuated cilia can potentially protect microfluidic devices, filtration membranes or ship hulls from a wide range of fouling species.

  10. Applications of granular-dynamics numerical simulations to asteroid surfaces

    Science.gov (United States)

    Richardson, D. C.; Michel, P.; Schwartz, S. R.; Yu, Y.; Ballouz, R.-L.; Matsumura, S.

    2014-07-01

    Spacecraft images and indirect observations including thermal inertia measurements indicate most small bodies have surface regolith. Evidence of granular flow is also apparent in the images. This material motion occurs in very low gravity, therefore in a totally different gravitational environment than on the Earth. Upcoming sample-return missions to small bodies, and possible future manned missions, will involve interaction with the surface regolith, so it is important to develop tools to predict the surface response. We have added new capabilities to the N-body gravity tree code pkdgrav [1,2] that permit the simulation of granular dynamics, including multi-contact physics and friction forces, using the soft-sphere discrete-element method [3]. The numerical approach has been validated through comparison with laboratory experiments (e.g., [3,4]). (1) We carried out impacts into granular materials using different projectile shapes under Earth's gravity [5] and compared the results to laboratory experiments [6] in support of JAXA's Hayabusa 2 asteroid sample-return mission. We tested different projectile shapes and confirmed that the 90-degree cone was the most efficient at excavating mass when impacting 5-mm-diameter glass beads. Results are sensitive to the normal coefficient of restitution and the coefficient of static friction. Preliminary experiments in micro-gravity for similar impact conditions show both the amount of ejected mass and the timescale of the impact process increase, as expected. (2) It has been found (e.g., [7,8]) that ''fresh'' (unreddened) Q-class asteroids have a high probability of recent planetary encounters (˜1 Myr; also see [9]), suggesting that surface refreshening may have occurred due to tidal effects. As an application of the potential effect of tidal interactions, we carried out simulations of Apophis' predicted 2029 encounter with the Earth to see whether regolith motion might occur, using a range of plausible material parameters

  11. Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces.

    Science.gov (United States)

    Levine, Zachary A; Rapp, Michael V; Wei, Wei; Mullen, Ryan Gotchy; Wu, Chun; Zerze, Gül H; Mittal, Jeetain; Waite, J Herbert; Israelachvili, Jacob N; Shea, Joan-Emma

    2016-04-19

    Translating sticky biological molecules-such as mussel foot proteins (MFPs)-into synthetic, cost-effective underwater adhesives with adjustable nano- and macroscale characteristics requires an intimate understanding of the glue's molecular interactions. To help facilitate the next generation of aqueous adhesives, we performed a combination of surface forces apparatus (SFA) measurements and replica-exchange molecular dynamics (REMD) simulations on a synthetic, easy to prepare, Dopa-containing peptide (MFP-3s peptide), which adheres to organic surfaces just as effectively as its wild-type protein analog. Experiments and simulations both show significant differences in peptide adsorption on CH3-terminated (hydrophobic) and OH-terminated (hydrophilic) self-assembled monolayers (SAMs), where adsorption is strongest on hydrophobic SAMs because of orientationally specific interactions with Dopa. Additional umbrella-sampling simulations yield free-energy profiles that quantitatively agree with SFA measurements and are used to extract the adhesive properties of individual amino acids within the context of MFP-3s peptide adhesion, revealing a delicate balance between van der Waals, hydrophobic, and electrostatic forces.

  12. Polymerization by plasma: surface treatment and plasma simulation

    International Nuclear Information System (INIS)

    Morales C, J.

    2001-01-01

    One of the general objectives that are developed by the group of polymers semiconductors in the laboratory of polymers of the UAM-Iztapalapa is to study the surface treatment for plasma of different materials. Framed in this general objective, in this work three lines of investigation have been developed, independent one of other that converge in the general objective. The first one tries about the modeling one and evaluation of the microscopic parameters of operation of the polymerization reactor. The second are continuation of the study of conductive polymers synthesized by plasma and the third are an application of the treatment for plasma on natural fibers. In the first one it lines it is carried out the characterization and simulation of the parameters of operation of the polymerization reactor for plasma. They are determined the microscopic parameters of operation of the reactor experimentally like they are the electronic temperature, the potential of the plasma and the density average of electrons using for it an electrostatic Langmuir probe. In the simulation, starting from the Boltzmann transport equation it thinks about the flowing pattern and the electronic temperature, the ions density is obtained and of electrons. The data are compared obtained experimentally with the results of the simulation. In second line a study is presented about the influence of the temperature on the electric conductivity of thin films doped with iodine, of poly aniline (P An/I) and poly pyrrole (P Py/I). The films underwent heating-cooling cycles. The conductivity of P An/I and P Py/I in function of the temperature it is discussed based on the Arrhenius model, showing that it dominates the model of homogeneous conductivity. It is also synthesized a polymer bi-layer of these two elements and a copolymer random poly aniline-poly pyrrole, of the first one it the behavior of its conductivity discusses with the temperature and of the second, the conductivity is discussed in

  13. Simulation and Optimization of Silicon Solar Cell Back Surface Field

    Directory of Open Access Journals (Sweden)

    Souad TOBBECHE

    2015-11-01

    Full Text Available In this paper, TCAD Silvaco (Technology Computer Aided Design software has been used to study the Back Surface Field (BSF effect of a p+ silicon layer for a n+pp+ silicon solar cell. To study this effect, the J-V characteristics and the external quantum efficiency (EQE are simulated under AM 1.5 illumination for two types of cells. The first solar cell is without BSF (n+p structure while the second one is with BSF (n+pp+ structure. The creation of the BSF on the rear face of the cell results in efficiency h of up to 16.06% with a short-circuit current density Jsc = 30.54 mA/cm2, an open-circuit voltage Voc = 0.631 V, a fill factor FF = 0.832 and a clear improvement of the spectral response obtained in the long wavelengths range. An electric field and a barrier of potential are created by the BSF and located at the junction p+/p with a maximum of 5800 V/cm and 0.15 V, respectively. The optimization of the BSF layer shows that the cell performance improves with the p+ thickness between 0.35 – 0.39 µm, the p+ doping dose is about 2 × 1014 cm-2, the maximum efficiency up to 16.19 %. The cell efficiency is more sensitive to the value of the back surface recombination velocity above a value of 103 cm/s in n+p than n+pp+ solar cell.DOI: http://dx.doi.org/10.5755/j01.ms.21.4.9565

  14. Reliable low precision simulations in land surface models

    Science.gov (United States)

    Dawson, Andrew; Düben, Peter D.; MacLeod, David A.; Palmer, Tim N.

    2017-12-01

    Weather and climate models must continue to increase in both resolution and complexity in order that forecasts become more accurate and reliable. Moving to lower numerical precision may be an essential tool for coping with the demand for ever increasing model complexity in addition to increasing computing resources. However, there have been some concerns in the weather and climate modelling community over the suitability of lower precision for climate models, particularly for representing processes that change very slowly over long time-scales. These processes are difficult to represent using low precision due to time increments being systematically rounded to zero. Idealised simulations are used to demonstrate that a model of deep soil heat diffusion that fails when run in single precision can be modified to work correctly using low precision, by splitting up the model into a small higher precision part and a low precision part. This strategy retains the computational benefits of reduced precision whilst preserving accuracy. This same technique is also applied to a full complexity land surface model, resulting in rounding errors that are significantly smaller than initial condition and parameter uncertainties. Although lower precision will present some problems for the weather and climate modelling community, many of the problems can likely be overcome using a straightforward and physically motivated application of reduced precision.

  15. Numerical Simulation of Floating Bodies in Extreme Free Surface Waves

    Science.gov (United States)

    Hu, Zheng Zheng; Causon, Derek; Mingham, Clive; Qiang, Ling

    2010-05-01

    and efficient. Firstly, extreme design wave conditions are generated in an empty NWT and compared with physical experiments as a precursor to calculations to investigate the survivability of the Bobber device operating in a challenging wave climate. Secondly, we consider a bench-mark test case involving in a first order regular wave maker acting on a fixed cylinder and Pelamis. Finally, a floating Bobber has been simulated under extreme wave conditions. These results will be reported at the meeting. Causon D.M., Ingram D.M., Mingham C.G., Yang G. Pearson R.V. (2000). Calculation of shallow water flows using a Cartesian cut cell approach. Advances in Water resources, 23: 545-562. Causon D.M., Ingram D.M., Mingham C.G. (2000). A Cartesian cut cell method for shallow water flows with moving boundaries. Advances in Water resources, 24: 899-911. Dalzell J.F. 1999 A note on finite depth second-order wave-wave interactions. Appl. Ocean Res. 21, 105-111. Ning D.Z., Zang J., Liu S.X. Eatock Taylor R. Teng B. & Taylor P.H. 2009 Free surface and wave kinematics for nonlinear focused wave groups. J. Ocean Engineering. Accepted. Hu Z.Z., Causon D.M., Mingham C.M. and Qian L.(2009). Numerical wave tank study of a wave energy converter in heave. Proceedlings 19th ISOPE conference, Osaka, Japan Qian L., Causon D.M. & Mingham C.G., Ingram D.M. 2006 A free-surface capturing method for two fluid flows with moving bodies. Proc. Roy. Soc. London, Vol. A 462 21-42.

  16. Molecular dynamics simulation of potentiometric sensor response: the effect of biomolecules, surface morphology and surface charge.

    Science.gov (United States)

    Lowe, B M; Skylaris, C-K; Green, N G; Shibuta, Y; Sakata, T

    2018-05-10

    The silica-water interface is critical to many modern technologies in chemical engineering and biosensing. One technology used commonly in biosensors, the potentiometric sensor, operates by measuring the changes in electric potential due to changes in the interfacial electric field. Predictive modelling of this response caused by surface binding of biomolecules remains highly challenging. In this work, through the most extensive molecular dynamics simulation of the silica-water interfacial potential and electric field to date, we report a novel prediction and explanation of the effects of nano-morphology on sensor response. Amorphous silica demonstrated a larger potentiometric response than an equivalent crystalline silica model due to increased sodium adsorption, in agreement with experiments showing improved sensor response with nano-texturing. We provide proof-of-concept that molecular dynamics can be used as a complementary tool for potentiometric biosensor response prediction. Effects that are conventionally neglected, such as surface morphology, water polarisation, biomolecule dynamics and finite-size effects, are explicitly modelled.

  17. Influence of World and Gravity Model Selection on Surface Interacting Vehicle Simulations

    Science.gov (United States)

    Madden, Michael M.

    2007-01-01

    A vehicle simulation is surface-interacting if the state of the vehicle (position, velocity, and acceleration) relative to the surface is important. Surface-interacting simulations perform ascent, entry, descent, landing, surface travel, or atmospheric flight. Modeling of gravity is an influential environmental factor for surface-interacting simulations. Gravity is the free-fall acceleration observed from a world-fixed frame that rotates with the world. Thus, gravity is the sum of gravitation and the centrifugal acceleration due to the world s rotation. In surface-interacting simulations, the fidelity of gravity at heights above the surface is more significant than gravity fidelity at locations in inertial space. A surface-interacting simulation cannot treat the gravity model separately from the world model, which simulates the motion and shape of the world. The world model's simulation of the world's rotation, or lack thereof, produces the centrifugal acceleration component of gravity. The world model s reproduction of the world's shape will produce different positions relative to the world center for a given height above the surface. These differences produce variations in the gravitation component of gravity. This paper examines the actual performance of world and gravity/gravitation pairs in a simulation using the Earth.

  18. Database for Simulation of Electron Spectra for Surface Analysis (SESSA)Database for Simulation of Electron Spectra for Surface Analysis (SESSA)

    Science.gov (United States)

    SRD 100 Database for Simulation of Electron Spectra for Surface Analysis (SESSA)Database for Simulation of Electron Spectra for Surface Analysis (SESSA) (PC database for purchase)   This database has been designed to facilitate quantitative interpretation of Auger-electron and X-ray photoelectron spectra and to improve the accuracy of quantitation in routine analysis. The database contains all physical data needed to perform quantitative interpretation of an electron spectrum for a thin-film specimen of given composition. A simulation module provides an estimate of peak intensities as well as the energy and angular distributions of the emitted electron flux.

  19. Simulation of an oil film at the sea surface and its radiometric properties in the SWIR

    NARCIS (Netherlands)

    Schwenger, F.; Eijk, A.M.J. van

    2017-01-01

    The knowledge of the optical contrast of an oil layer on the sea under various surface roughness conditions is of great interest for oil slick monitoring techniques. This paper presents a 3D simulation of a dynamic sea surface contaminated by a floating oil film. The simulation considers the damping

  20. Surface runoff and soil erosion by difference of surface cover characteristics using by an oscillating rainfall simulator

    Science.gov (United States)

    Kim, J. K.; Kim, M. S.; Yang, D. Y.

    2017-12-01

    Sediment transfer within hill slope can be changed by the hydrologic characteristics of surface material on hill slope. To better understand sediment transfer of the past and future related to climate changes, studies for the changes of soil erosion due to hydrological characteristics changes by surface materials on hill slope are needed. To do so, on-situ rainfall simulating test was conducted on three different surface conditions, i.e. well covered with litter layer condition (a), undisturbed bare condition (b), and disturbed bare condition (c) and these results from rainfall simulating test were compared with that estimated using the Limburg Soil Erosion Model (LISEM). The result from the rainfall simulating tests showed differences in the infiltration rate (a > b > c) and the highest soil erosion rate was occurred on c condition. The result from model also was similar to those from rainfall simulating tests, however, the difference from the value of soil erosion rate between two results was quite large on b and c conditions. These results implied that the difference of surface conditions could change the surface runoff and soil erosion and the result from the erosion model might significantly underestimate on bare surface conditions rather than that from rainfall simulating test.

  1. Intercomparison of oceanic and atmospheric forced and coupled mesoscale simulations. Part I: Surface fluxes

    Science.gov (United States)

    Josse, P.; Caniaux, G.; Giordani, H.; Planton, S.

    1999-04-01

    A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer to the atmosphere is

  2. Virtual simulation of maneuvering captive tests for a surface vessel

    Directory of Open Access Journals (Sweden)

    Ahmad Hajivand

    2015-09-01

    Full Text Available Hydrodynamic derivatives or coefficients are required to predict the maneuvering characteristics of a marine vehicle. These derivatives are obtained numerically for a DTMB 5512 model ship by virtual simulating of captive model tests in a CFD environment. The computed coefficients are applied to predict the turning circle and zigzag maneuvers of the model ship. The comparison of the simulated results with the available experimental data shows a very good agreement among them. The simulations show that the CFD is precise and affordable tool at the preliminary design stage to obtain maneuverability performance of a marine vehicles.

  3. Robust Optimization in Simulation : Taguchi and Response Surface Methodology

    NARCIS (Netherlands)

    Dellino, G.; Kleijnen, J.P.C.; Meloni, C.

    2008-01-01

    Optimization of simulated systems is tackled by many methods, but most methods assume known environments. This article, however, develops a 'robust' methodology for uncertain environments. This methodology uses Taguchi's view of the uncertain world, but replaces his statistical techniques by

  4. Surface hopping simulation of vibrational predissociation of methanol dimer

    Science.gov (United States)

    Jiang, Ruomu; Sibert, Edwin L.

    2012-06-01

    The mixed quantum-classical surface hopping method is applied to the vibrational predissociation of methanol dimer, and the results are compared to more exact quantum calculations. Utilizing the vibrational SCF basis, the predissociation problem is cast into a curve crossing problem between dissociative and quasibound surfaces with different vibrational character. The varied features of the dissociative surfaces, arising from the large amplitude OH torsion, generate rich predissociation dynamics. The fewest switches surface hopping algorithm of Tully [J. Chem. Phys. 93, 1061 (1990), 10.1063/1.459170] is applied to both diabatic and adiabatic representations. The comparison affords new insight into the criterion for selecting the suitable representation. The adiabatic method's difficulty with low energy trajectories is highlighted. In the normal crossing case, the diabatic calculations yield good results, albeit showing its limitation in situations where tunneling is important. The quadratic scaling of the rates on coupling strength is confirmed. An interesting resonance behavior is identified and is dealt with using a simple decoherence scheme. For low lying dissociative surfaces that do not cross the quasibound surface, the diabatic method tends to overestimate the predissociation rate whereas the adiabatic method is qualitatively correct. Analysis reveals the major culprits involve Rabi-like oscillation, treatment of classically forbidden hops, and overcoherence. Improvements of the surface hopping results are achieved by adopting a few changes to the original surface hopping algorithms.

  5. Surface effects in solid mechanics models, simulations and applications

    CERN Document Server

    Altenbach, Holm

    2013-01-01

    This book reviews current understanding, and future trends, of surface effects in solid mechanics. Covers elasticity, plasticity and viscoelasticity, modeling based on continuum theories and molecular modeling and applications of different modeling approaches.

  6. Simulation and Optimization of Surface Acoustic Wave Devises

    DEFF Research Database (Denmark)

    Dühring, Maria Bayard

    2007-01-01

    In this paper a method to model the interaction of the mechanical field from a surface acoustic wave and the optical field in the waveguides of a Mach-Zehnder interferometer is presented. The surface acoustic waves are generated by interdigital transducers using a plane strain model...... in effective refractive index introduced in the Mach-Zehnder interferometer arms by the stresses from the surface acoustic wave is calculated. It is shown that the effective refractive index of the fundamental optical mode increases at a surface acoustic wave crest and decreases at a trough. The height...... of a piezoelectric, inhomogeneous material and reflections from the boundaries are avoided by applying perfectly matched layers. The optical modes in the waveguides are modeled by the time-harmonic wave equation for the magnetic field. The two models are coupled using the stress-optical relation and the change...

  7. Characterization of photosynthetic gas exchange in leaves under simulated adaxial and abaxial surfaces alternant irradiation.

    Science.gov (United States)

    Zhang, Zi-Shan; Li, Yu-Ting; Gao, Hui-Yuan; Yang, Cheng; Meng, Qing-Wei

    2016-07-05

    Previous investigations on photosynthesis have been performed on leaves irradiated from the adaxial surface. However, leaves usually sway because of wind. This action results in the alternating exposure of both the adaxial and abaxial surfaces to bright sunlight. To simulate adaxial and abaxial surfaces alternant irradiation (ad-ab-alt irradiation), the adaxial or abaxial surface of leaves were exposed to light regimes that fluctuated between 100 and 1,000 μmol m(-2) s(-1). Compared with constant adaxial irradiation, simulated ad-ab-alt irradiation suppressed net photosynthetic rate (Pn) and transpiration (E) but not water use efficiency. These suppressions were aggravated by an increase in alternant frequency of the light intensity. When leaves were transferred from constant light to simulated ad-ab-alt irradiation, the maximum Pn and E during the high light period decreased, but the rate of photosynthetic induction during this period remained constant. The sensitivity of photosynthetic gas exchange to simulated ad-ab-alt irradiation was lower on abaxial surface than adaxial surface. Under simulated ad-ab-alt irradiation, higher Pn and E were measured on abaxial surface compared with adaxial surface. Therefore, bifacial leaves can fix more carbon than leaves with two "sun-leaf-like" surfaces under ad-ab-alt irradiation. Photosynthetic research should be conducted under dynamic conditions that better mimic nature.

  8. A New Method to Simulate Free Surface Flows for Viscoelastic Fluid

    Directory of Open Access Journals (Sweden)

    Yu Cao

    2015-01-01

    Full Text Available Free surface flows arise in a variety of engineering applications. To predict the dynamic characteristics of such problems, specific numerical methods are required to accurately capture the shape of free surface. This paper proposed a new method which combined the Arbitrary Lagrangian-Eulerian (ALE technique with the Finite Volume Method (FVM to simulate the time-dependent viscoelastic free surface flows. Based on an open source CFD toolbox called OpenFOAM, we designed an ALE-FVM free surface simulation platform. In the meantime, the die-swell flow had been investigated with our proposed platform to make a further analysis of free surface phenomenon. The results validated the correctness and effectiveness of the proposed method for free surface simulation in both Newtonian fluid and viscoelastic fluid.

  9. High intensity surface plasma waves, theory and PIC simulations

    Science.gov (United States)

    Raynaud, M.; Héron, A.; Adam, J.-C.

    2018-01-01

    With the development of intense (>1019 W cm-2) short pulses (≤25 fs) laser with very high contrast, surface plasma wave (SPW) can be explored in the relativistic regime. As the SPW propagates with a phase velocity close to the speed of light it may results in a strong acceleration of electron bunches along the surface permitting them to reach relativistic energies. This may be important e.g. for applications in the field of plasma-based accelerators. We investigate in this work the excitation of SPWs on grating preformed over-dense plasmas for laser intensities ranging from 1019 up to 1021 W cm-2. We discuss the nature of the interaction with respect to the solid case in which surface plasmon can be resonantly excited with weak laser intensity. In particular, we show the importance of the pulse duration and focalization of the laser beam on the amplitude of the SPW.

  10. Simulating evaporation of surface atoms of thorium-alloyed tungsten in strong electronic fields

    International Nuclear Information System (INIS)

    Bochkanov, P.V.; Mordyuk, V.S.; Ivanov, Yu.I.

    1984-01-01

    By the Monte Carlo method simulating evaporation of surface atoms of thorium - alloyed tungsten in strong electric fields is realized. The strongest evaporation of surface atoms of pure tungsten as compared with thorium-alloyed tungsten in the contentration range of thorium atoms in tungsten matrix (1.5-15%) is shown. The evaporation rate increases with thorium atoms concentration. Determined is in relative units the surface atoms evaporation rate depending on surface temperature and electric field stront

  11. Airborne Lidar Simulator for the Lidar Surface Topography (LIST) Mission

    Science.gov (United States)

    Yu, Anthony W.; Krainak, Michael A.; Abshire, James B.; Cavanaugh, John; Valett, Susan; Ramos-Izquierdo, Luis

    2010-01-01

    In 2007, the National Research Council (NRC) completed its first decadal survey for Earth science at the request of NASA, NOAA, and USGS. The Lidar Surface Topography (LIST) mission is one of fifteen missions recommended by NRC, whose primary objectives are to map global topography and vegetation structure at 5 m spatial resolution, and to acquire global surface height mapping within a few years. NASA Goddard conducted an initial mission concept study for the LIST mission in 2007, and developed the initial measurement requirements for the mission.

  12. Molecular dynamics simulations study of nano bubble attachment at hydrophobic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Jiaqi; Dang, Liem X.; Miller, Jan D.

    2018-01-01

    Bubble attachment phenomena are examined using Molecular Dynamics Simulations (MDS) for the first time. The simulation involves a nitrogen nano bubble containing 906 nitrogen molecules in a water phase with 74,000 water molecules at molybdenite surfaces. During a simulation period of 1 ns, film rupture and displacement occurs. The attached nanobubble at the hydrophobic molybdenite face surface results in a contact angle of about 90º. This spontaneous attachment is due to a “water exclusion zone” at the molybdenite face surface and can be explained by a van der Waals (vdW) attractive force, as discussed in the literature. In contrast, the film is stable at the hydrophilic quartz (001) surface and the bubble does not attach. Contact angles determined from MD simulations are reported, and these results agree well with experimental and MDS sessile drop results. In this way, film stability and bubble attachment are described with respect to interfacial water structure for surfaces of different polarity. Interfacial water molecules at the hydrophobic molybdenite face surface have relatively weak interactions with the surface when compared to the hydrophilic quartz (001) surface, as revealed by the presence of a 3 Å “water exclusion zone” at the molybdenite/water interface. The molybdenite armchair-edge and zigzag-edge surfaces show a comparably slow process for film rupture and displacement when compared to the molybdenite face surface, which is consistent with their relatively weak hydrophobic character.

  13. Modelling, simulating and optimizing boiler heating surfaces and evaporator circuits

    DEFF Research Database (Denmark)

    Sørensen, K.; Condra, T.; Houbak, Niels

    2003-01-01

    A model for optimizing the dynamic performance of boiler have been developed. Design variables related to the size of the boiler and its dynamic performance have been defined. The object function to be optimized takes the weight of the boiler and its dynamic capability into account. As constraints...... for the optimization a dynamic model for the boiler is applied. Furthermore a function for the value of the dynamic performance is included in the model. The dynamic models for simulating boiler performance consists of a model for the flue gas side, a model for the evaporator circuit and a model for the drum....... The dynamic model has been developed for the purpose of determining boiler material temperatures and heat transfer from the flue gas side to the water-/steam side in order to simulate the circulation in the evaporator circuit and hereby the water level fluctuations in the drum. The dynamic model has been...

  14. Numerical simulation of floating bodies in extreme free surface waves

    Directory of Open Access Journals (Sweden)

    Z. Z. Hu

    2011-02-01

    Full Text Available In this paper, we use the in-house Computational Fluid Dynamics (CFD flow code AMAZON-SC as a numerical wave tank (NWT to study wave loading on a wave energy converter (WEC device in heave motion. This is a surface-capturing method for two fluid flows that treats the free surface as contact surface in the density field that is captured automatically without special provision. A time-accurate artificial compressibility method and high resolution Godunov-type scheme are employed in both fluid regions (air/water. The Cartesian cut cell method can provide a boundary-fitted mesh for a complex geometry with no requirement to re-mesh globally or even locally for moving geometry, requiring only changes to cut cell data at the body contour. Extreme wave boundary conditions are prescribed in an empty NWT and compared with physical experiments prior to calculations of extreme waves acting on a floating Bobber-type device. The validation work also includes the wave force on a fixed cylinder compared with theoretical and experimental data under regular waves. Results include free surface elevations, vertical displacement of the float, induced vertical velocity and heave force for a typical Bobber geometry with a hemispherical base under extreme wave conditions.

  15. Radiation exchange between persons and surfaces for building energy simulations

    DEFF Research Database (Denmark)

    Vorre, Mette Havgaard; Jensen, Rasmus Lund; Dreau, Jerome Le

    2015-01-01

    Thermal radiation within buildings is a significant component of thermal comfort. Typically the methods applied for calculating view factors between a person and its building surfaces requires great computational time. This research developed a view factor calculation method suitable for building...

  16. Extra Low-Gear: A Micro-Gravity Laboratory to Simulate Asteroid Surfaces

    Science.gov (United States)

    Scheeres, D. J.; Sánchez, P.; Dissly, R. W.; Asphaug, E. I.; Housen, K. R.; Swift, M. R.; Yano, H.; Roark, S. E.; Soto, J. C.

    2009-03-01

    The conceptual design and application of a low-speed centrifuge for carrying out milli to micro-G gravity experiments to simulate the granular nature of the surface and interiors of asteroids and comets is described.

  17. A quantum-classical simulation of a multi-surface multi-mode ...

    Indian Academy of Sciences (India)

    Multi surface multi mode quantum dynamics; parallelized quantum classical approach; TDDVR method. 1. ... cal simulation on molecular system is a great cha- llenge for ..... on a multiple core cluster with shared memory using. OpenMP based ...

  18. Controls on surface soil drying rates observed by SMAP and simulated by the Noah land surface model

    Science.gov (United States)

    Shellito, Peter J.; Small, Eric E.; Livneh, Ben

    2018-03-01

    Drydown periods that follow precipitation events provide an opportunity to assess controls on soil evaporation on a continental scale. We use SMAP (Soil Moisture Active Passive) observations and Noah simulations from drydown periods to quantify the role of soil moisture, potential evaporation, vegetation cover, and soil texture on soil drying rates. Rates are determined using finite differences over intervals of 1 to 3 days. In the Noah model, the drying rates are a good approximation of direct soil evaporation rates, and our work suggests that SMAP-observed drying is also predominantly affected by direct soil evaporation. Data cover the domain of the North American Land Data Assimilation System Phase 2 and span the first 1.8 years of SMAP's operation. Drying of surface soil moisture observed by SMAP is faster than that simulated by Noah. SMAP drying is fastest when surface soil moisture levels are high, potential evaporation is high, and when vegetation cover is low. Soil texture plays a minor role in SMAP drying rates. Noah simulations show similar responses to soil moisture and potential evaporation, but vegetation has a minimal effect and soil texture has a much larger effect compared to SMAP. When drying rates are normalized by potential evaporation, SMAP observations and Noah simulations both show that increases in vegetation cover lead to decreases in evaporative efficiency from the surface soil. However, the magnitude of this effect simulated by Noah is much weaker than that determined from SMAP observations.

  19. Design and simulation of the surface shape control system for membrane mirror

    Science.gov (United States)

    Zhang, Gengsheng; Tang, Minxue

    2009-11-01

    The surface shape control is one of the key technologies for the manufacture of membrane mirror. This paper presents a design of membrane mirror's surface shape control system on the basis of fuzzy logic control. The system contains such function modules as surface shape design, surface shape control, surface shape analysis, and etc. The system functions are realized by using hybrid programming technology of Visual C# and MATLAB. The finite element method is adopted to simulate the surface shape control of membrane mirror. The finite element analysis model is established through ANSYS Parametric Design Language (APDL). ANSYS software kernel is called by the system in background running mode when doing the simulation. The controller is designed by means of controlling the sag of the mirror's central crosssection. The surface shape of the membrane mirror and its optical aberration are obtained by applying Zernike polynomial fitting. The analysis of surface shape control and the simulation of disturbance response are performed for a membrane mirror with 300mm aperture and F/2.7. The result of the simulation shows that by using the designed control system, the RMS wavefront error of the mirror can reach to 142λ (λ=632.8nm), which is consistent to the surface accuracy of the membrane mirror obtained by the large deformation theory of membrane under the same condition.

  20. Numerical simulation on the explosive boiling phenomena on the surface of molten metal

    International Nuclear Information System (INIS)

    Chen Deqi; Peng Cheng; Wang Qinghua; Pan Liangming

    2014-01-01

    In this paper, numerical simulation was carried out to investigate the explosive boiling phenomenon on high temperature surface also the influence of vapor growth rate during explosive boiling, vapor condensation in sub-cooled water and the subsequent effect on flowing and heat transfer. The simulation result indicates that the steam on the molten metal surface grows with very high speed, and it pushes away the sub-cooled water around and causes severe flowing. The steam clusters which block the sub-cooled water to rewet the molten metal surface are appearing at the same time. During the growth, lifting off as well as condensation of the steam clusters, the sub-cooled water around is strongly disturbed, and obvious vortexes appear. Conversely, the vortex will influence the steam cluster detachment and cub-cooled water rewetting the metal surface. This simulation visually displays the complex explosive boiling phenomena on the molten metal surface with high temperature. (authors)

  1. Improving precipitation simulation from updated surface characteristics in South America

    Science.gov (United States)

    Pereira, Gabriel; Silva, Maria Elisa Siqueira; Moraes, Elisabete Caria; Chiquetto, Júlio Barboza; da Silva Cardozo, Francielle

    2017-07-01

    Land use and land cover maps and their physical-chemical and biological properties are important variables in the numerical modeling of Earth systems. In this context, the main objective of this study is to analyze the improvements resulting from the land use and land cover map update in numerical simulations performed using the Regional Climate Model system version 4 (RegCM4), as well as the seasonal variations of physical parameters used by the Biosphere Atmosphere Transfer Scheme (BATS). In general, the update of the South America 2007 land use and land cover map, used by the BATS, improved the simulation of precipitation by 10 %, increasing the mean temporal correlation coefficient, compared to observed data, from 0.84 to 0.92 (significant at p Atlantic convergence zone (SACZ) positioning, presenting a spatial pattern of alternated areas with higher and lower precipitation rates. These important differences occur due to the replacement of tropical rainforest for pasture and agriculture and the replacement of agricultural areas for pasture, scrubland, and deciduous forest.

  2. Initialization of high resolution surface wind simulations using NWS gridded data

    Science.gov (United States)

    J. Forthofer; K. Shannon; Bret Butler

    2010-01-01

    WindNinja is a standalone computer model designed to provide the user with simulations of surface wind flow. It is deterministic and steady state. It is currently being modified to allow the user to initialize the flow calculation using National Digital Forecast Database. It essentially allows the user to downscale the coarse scale simulations from meso-scale models to...

  3. Simultaneous calibration of surface flow and baseflow simulations: A revisit of the SWAT model calibration framework

    Science.gov (United States)

    Accurate analysis of water flow pathways from rainfall to streams is critical for simulating water use, climate change impact, and contaminant transport. In this study, we developed a new scheme to simultaneously calibrate surface flow (SF) and baseflow (BF) simulations of Soil and Water Assessment ...

  4. Airborne Instrument Simulator for the Lidar Surface Topography (LIST) Mission

    Science.gov (United States)

    Yu, Anthony W.; Krainak, Michael A.; Harding, David J.; Abshire, James B.; Sun, Xiaoli; Cavanaugh, John; Valett, Susan; Ramos-Izquierdo, Luis

    2010-01-01

    In 2007, the National Research Council (NRC) completed its first decadal survey for Earth science at the request of NASA, NOAA, and USGS. The Lidar Surface Topography (LIST) mission is one of fifteen missions recommended by NRC, whose primary objectives are to map global topography and vegetation structure at 5 m spatial resolution, and to acquire global coverage with a few years. NASA Goddard conducted an initial mission concept study for the LIST mission 2007, and developed the initial measurement requirements for the mission.

  5. Molecular Dynamics Simulations of Water Nanodroplets on Silica Surfaces

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Walther, Jens Honore; Jaffe, Richard L.

    2009-01-01

    and DNA microarrays technologies.4,5,6,7,8 Although extensive experimental, theoretical and computational work has been devoted to study the nature of the interaction between silica and water,2,9-16 at the molecular level a complete understanding of silica-water systems has not been reached. Contact angle...... computations of water droplets on silica surfaces offers a useful fundamental and quantitative measurement in order to study chemical and physical properties of water-silica systems.3,16,17,18 For hydrophobic systems the static and dynamic properties of the fluid-solid interface are influenced by the presence...

  6. Simulation of an oil film at the sea surface and its radiometric properties in the SWIR

    Science.gov (United States)

    Schwenger, Frédéric; Van Eijk, Alexander M. J.

    2017-10-01

    The knowledge of the optical contrast of an oil layer on the sea under various surface roughness conditions is of great interest for oil slick monitoring techniques. This paper presents a 3D simulation of a dynamic sea surface contaminated by a floating oil film. The simulation considers the damping influence of oil on the ocean waves and its physical properties. It calculates the radiance contrast of the sea surface polluted by the oil film in relation to a clean sea surface for the SWIR spectral band. Our computer simulation combines the 3D simulation of a maritime scene (open clear sea/clear sky) with an oil film at the sea surface. The basic geometry of a clean sea surface is modeled by a composition of smooth wind driven gravity waves. Oil on the sea surface attenuates the capillary and short gravity waves modulating the wave power density spectrum of these waves. The radiance of the maritime scene is calculated in the SWIR spectral band with the emitted sea surface radiance and the specularly reflected sky radiance as components. Wave hiding and shadowing, especially occurring at low viewing angles, are considered. The specular reflection of the sky radiance at the clean sea surface is modeled by an analytical statistical bidirectional reflectance distribution function (BRDF) of the sea surface. For oil at the sea surface, a specific BRDF is used influenced by the reduced surface roughness, i.e., the modulated wave density spectrum. The radiance contrast of an oil film in relation to the clean sea surface is calculated for different viewing angles, wind speeds, and oil types characterized by their specific physical properties.

  7. Boundary Slip and Surface Interaction: A Lattice Boltzmann Simulation

    International Nuclear Information System (INIS)

    Yan-Yan, Chen; Hua-Bing, Li; Hou-Hui, Yi

    2008-01-01

    The factors affecting slip length in Couette geometry flows are analysed by means of a two-phase mesoscopic lattice Boltzmann model including non-ideal fluid-fluid and fluid-wall interactions. The main factors influencing the boundary slip are the strength of interactions between fluid-fluid and fluid-wall particles. Other factors, such as fluid viscosity, bulk pressure may also change the slip length. We find that boundary slip only occurs under a certain density (bulk pressure). If the density is large enough, the slip length will tend to zero. In our simulations, a low density layer near the wall does not need to be postulated a priori but emerges naturally from the underlying non-ideal mesoscopic dynamics. It is the low density layer that induces the boundary slip. The results may be helpful to understand recent experimental observations on the slippage of micro flows

  8. Numerical simulation of porous burners and hole plate surface burners

    Directory of Open Access Journals (Sweden)

    Nemoda Stevan

    2004-01-01

    Full Text Available In comparison to the free flame burners the porous medium burners, especially those with flame stabilization within the porous material, are characterized by a reduction of the combustion zone temperatures and high combustion efficiency, so that emissions of pollutants are minimized. In the paper the finite-volume numerical tool for calculations of the non-isothermal laminar steady-state flow, with chemical reactions in laminar gas flow as well as within porous media is presented. For the porous regions the momentum and energy equations have appropriate corrections. In the momentum equations for the porous region an additional pressure drop has to be considered, which depends on the properties of the porous medium. For the heat transfer within the porous matrix description a heterogeneous model is considered. It treats the solid and gas phase separately, but the phases are coupled via a convective heat exchange term. For the modeling of the reaction of the methane laminar combustion the chemical reaction scheme with 164 reactions and 20 chemical species was used. The proposed numerical tool is applied for the analyses of the combustion and heat transfer processes which take place in porous and surface burners. The numerical experiments are accomplished for different powers of the porous and surface burners, as well as for different heat conductivity character is tics of the porous regions.

  9. A Coupled Surface Nudging Scheme for use in Retrospective Weather and Climate Simulations for Environmental Applications

    Science.gov (United States)

    A surface analysis nudging scheme coupling atmospheric and land surface thermodynamic parameters has been implemented into WRF v3.8 (latest version) for use with retrospective weather and climate simulations, as well as for applications in air quality, hydrology, and ecosystem mo...

  10. Molecular dynamics simulations of water on a hydrophilic silica surface at high air pressures

    DEFF Research Database (Denmark)

    Zambrano, H.A.; Walther, Jens Honore; Jaffe, R.L.

    2014-01-01

    Wepresent a force field forMolecular Dynamics (MD) simulations ofwater and air in contactwith an amorphous silica surface. We calibrate the interactions of each species present in the systemusing dedicated criteria such as the contact angle of a water droplet on a silica surface, and the solubility...

  11. SIMULATION OF THE Ku-BAND RADAR ALTIMETER SEA ICE EFFECTIVE SCATTERING SURFACE

    DEFF Research Database (Denmark)

    Tonboe, Rasmus; Andersen, Søren; Pedersen, Leif Toudal

    2006-01-01

    A radiative transfer model is used to simulate the sea ice radar altimeter effective scattering surface variability as a function of snow depth and density. Under dry snow conditions without layering these are the primary snow parameters affecting the scattering surface variability. The model is ...

  12. Semi-implicit surface tension formulation with a Lagrangian surface mesh on an Eulerian simulation grid

    KAUST Repository

    Schroeder, Craig; Zheng, Wen; Fedkiw, Ronald

    2012-01-01

    -implicit and fully-coupled viscosity, pressure, and Lagrangian forces. We apply our new framework for forces on a Lagrangian mesh to the case of a surface tension force, which when treated explicitly leads to a tight time step restriction. By applying surface tension

  13. Intercomparison of oceanic and atmospheric forced and coupled mesoscale simulations Part I: Surface fluxes

    Directory of Open Access Journals (Sweden)

    P. Josse

    1999-04-01

    Full Text Available A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer

  14. Intercomparison of oceanic and atmospheric forced and coupled mesoscale simulations Part I: Surface fluxes

    Directory of Open Access Journals (Sweden)

    H. Giordani

    Full Text Available A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer

  15. A Simulation Model of Focus and Radial Servos in Compact Disc Players with Disc Surface Defects

    DEFF Research Database (Denmark)

    Odgaard, Peter Fogh; Stoustrup, Jakob; Andersen, Palle

    2004-01-01

    Compact Disc players have been on the market in more than two decades.As a consequence most of the control servo problems have been solved. A large remaining problem to solve is the handling of Compact Discs with severe surface defects like scratches and fingerprints. This paper introduces a method...... for making the design of controllers handling surface defects easier. A simulation model of Compact Disc players playing discs with surface defects is presented. The main novel element in the model is a model of the surface defects. That model is based on data from discs with surface defects. This model...

  16. Dynamics of the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface: Molecular dynamics simulations

    International Nuclear Information System (INIS)

    Barros de Oliveira, Alan; Fortini, Andrea; Buldyrev, Sergey V.; Srolovitz, David

    2011-01-01

    We study the dynamics of the contact between a pair of surfaces (with properties designed to mimic ruthenium) via molecular dynamics simulations. In particular, we study the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface. The results of such simulations suggest that contact behavior is highly variable. The goal of this study is to investigate the source and degree of this variability. We find that during compression, the behavior of the contact force displacement curves is reproducible, while during contact separation, the behavior is highly variable. Examination of the contact surfaces suggests that two separation mechanisms are in operation and give rise to this variability. One mechanism corresponds to the formation of a bridge between the two surfaces that plastically stretches as the surfaces are drawn apart and eventually separate in shear. This leads to a morphology after separation in which there are opposing asperities on the two surfaces. This plastic separation/bridge formation mechanism leads to a large work of separation. The other mechanism is a more brittle-like mode in which a crack propagates across the base of the asperity (slightly below the asperity/substrate junction) leading to most of the asperity on one surface or the other after separation and a slight depression facing this asperity on the opposing surface. This failure mode corresponds to a smaller work of separation. This failure mode corresponds to a smaller work of separation. Furthermore, contacts made from materials that exhibit predominantly brittle-like behavior will tend to require lower work of separation than those made from ductile-like contact materials.

  17. NUMERICAL SIMULATION AND EXPERIMENTAL STUDY OF DRAGREDUCING SURFACE OF A REAL SHARK SKIN*

    Institute of Scientific and Technical Information of China (English)

    ZHANG De-yuan; LUO Yue-hao; LI Xiang; CHEN Hua-wei

    2011-01-01

    It is well known that shark skin surface can effectively inhabit the occurrence of turbulence and reduce the wall friction,but in order to understand the mechanism of drag reduction, one has to solve the problem of the turbulent flow on grooved-scale surface, and in that respect, the direct numerical simulation is an important tool.In this article, based on the real biological shark skin,the model of real shark skin is built through high-accurate scanning and data processing.The turbulent flow on a real shark skin is comprehensively simulated, and based on the simulation, the drag reduction mechanism is discussed.In addition, in order to validate the drag-reducing effect of shark skin surface, actual experiments were carried out in water tunnel, and the experimental results are approximately consistent with the numerical simulation.

  18. Ion bombardment induced smoothing of amorphous metallic surfaces: Experiments versus computer simulations

    International Nuclear Information System (INIS)

    Vauth, Sebastian; Mayr, S. G.

    2008-01-01

    Smoothing of rough amorphous metallic surfaces by bombardment with heavy ions in the low keV regime is investigated by a combined experimental-simulational study. Vapor deposited rough amorphous Zr 65 Al 7.5 Cu 27.5 films are the basis for systematic in situ scanning tunneling microscopy measurements on the smoothing reaction due to 3 keV Kr + ion bombardment. The experimental results are directly compared to the predictions of a multiscale simulation approach, which incorporates stochastic rate equations of the Langevin type in combination with previously reported classical molecular dynamics simulations [Phys. Rev. B 75, 224107 (2007)] to model surface smoothing across length and time scales. The combined approach of experiments and simulations clearly corroborates a key role of ion induced viscous flow and ballistic effects in low keV heavy ion induced smoothing of amorphous metallic surfaces at ambient temperatures

  19. The hydrophobic effect: Molecular dynamics simulations of water confined between extended hydrophobic and hydrophilic surfaces

    DEFF Research Database (Denmark)

    Jensen, Morten Østergaard; Mouritsen, Ole G.; Peters, Günther H.J.

    2004-01-01

    Structural and dynamic properties of water confined between two parallel, extended, either hydrophobic or hydrophilic crystalline surfaces of n-alkane C36H74 or n-alcohol C35H71OH, are studied by molecular dynamics simulations. Electron density profiles, directly compared with corresponding......-correlation functions reveal that water molecules have characteristic diffusive behavior and orientational ordering due to the lack of hydrogen bonding interactions with the surface. These observations suggest that the altered dynamical properties of water in contact with extended hydrophobic surfaces together...... at both surfaces. The ordering is characteristically different between the surfaces and of longer range at the hydrophilic surface. Furthermore, the dynamic properties of water are different at the two surfaces and different from the bulk behavior. In particular, at the hydrophobic surface, time...

  20. Modifying a dynamic global vegetation model for simulating large spatial scale land surface water balances

    Science.gov (United States)

    Tang, G.; Bartlein, P. J.

    2012-08-01

    Satellite-based data, such as vegetation type and fractional vegetation cover, are widely used in hydrologic models to prescribe the vegetation state in a study region. Dynamic global vegetation models (DGVM) simulate land surface hydrology. Incorporation of satellite-based data into a DGVM may enhance a model's ability to simulate land surface hydrology by reducing the task of model parameterization and providing distributed information on land characteristics. The objectives of this study are to (i) modify a DGVM for simulating land surface water balances; (ii) evaluate the modified model in simulating actual evapotranspiration (ET), soil moisture, and surface runoff at regional or watershed scales; and (iii) gain insight into the ability of both the original and modified model to simulate large spatial scale land surface hydrology. To achieve these objectives, we introduce the "LPJ-hydrology" (LH) model which incorporates satellite-based data into the Lund-Potsdam-Jena (LPJ) DGVM. To evaluate the model we ran LH using historical (1981-2006) climate data and satellite-based land covers at 2.5 arc-min grid cells for the conterminous US and for the entire world using coarser climate and land cover data. We evaluated the simulated ET, soil moisture, and surface runoff using a set of observed or simulated data at different spatial scales. Our results demonstrate that spatial patterns of LH-simulated annual ET and surface runoff are in accordance with previously published data for the US; LH-modeled monthly stream flow for 12 major rivers in the US was consistent with observed values respectively during the years 1981-2006 (R2 > 0.46, p 0.52). The modeled mean annual discharges for 10 major rivers worldwide also agreed well (differences day method for snowmelt computation, the addition of the solar radiation effect on snowmelt enabled LH to better simulate monthly stream flow in winter and early spring for rivers located at mid-to-high latitudes. In addition, LH

  1. Computer simulation of the relationship between selected properties of laser remelted tool steel surface layer

    Energy Technology Data Exchange (ETDEWEB)

    Bonek, Mirosław, E-mail: miroslaw.bonek@polsl.pl; Śliwa, Agata; Mikuła, Jarosław

    2016-12-01

    Highlights: • Prediction of the properties of laser remelted surface layer with the use of FEM analysis. • The simulation was applied to determine the shape of molten pool of remelted surface. • Applying of numerical model MES for simulation of surface laser treatment to meaningfully shorten time of selection of optimum parameters. • An FEM model was established for the purpose of building a computer simulation. - Abstract: Investigations >The language in this paper has been slightly changed. Please check for clarity of thought, and that the meaning is still correct, and amend if necessary.include Finite Element Method simulation model of remelting of PMHSS6-5-3 high-speed steel surface layer using the high power diode laser (HPDL). The Finite Element Method computations were performed using ANSYS software. The scope of FEM simulation was determination of temperature distribution during laser alloying process at various process configurations regarding the laser beam power and method of powder deposition, as pre-coated past or surface with machined grooves. The Finite Element Method simulation was performed on five different 3-dimensional models. The model assumed nonlinear change of thermal conductivity, specific heat and density that were depended on temperature. The heating process was realized as heat flux corresponding to laser beam power of 1.4, 1.7 and 2.1 kW. Latent heat effects are considered during solidification. The molten pool is composed of the same material as the substrate and there is no chemical reaction. The absorptivity of laser energy was dependent on the simulated materials properties and their surface condition. The Finite Element Method simulation allows specifying the heat affected zone and the temperature distribution in the sample as a function of time and thus allows the estimation of the structural changes taking place during laser remelting process. The simulation was applied to determine the shape of molten pool and the

  2. Large-scale Validation of AMIP II Land-surface Simulations: Preliminary Results for Ten Models

    Energy Technology Data Exchange (ETDEWEB)

    Phillips, T J; Henderson-Sellers, A; Irannejad, P; McGuffie, K; Zhang, H

    2005-12-01

    This report summarizes initial findings of a large-scale validation of the land-surface simulations of ten atmospheric general circulation models that are entries in phase II of the Atmospheric Model Intercomparison Project (AMIP II). This validation is conducted by AMIP Diagnostic Subproject 12 on Land-surface Processes and Parameterizations, which is focusing on putative relationships between the continental climate simulations and the associated models' land-surface schemes. The selected models typify the diversity of representations of land-surface climate that are currently implemented by the global modeling community. The current dearth of global-scale terrestrial observations makes exacting validation of AMIP II continental simulations impractical. Thus, selected land-surface processes of the models are compared with several alternative validation data sets, which include merged in-situ/satellite products, climate reanalyses, and off-line simulations of land-surface schemes that are driven by observed forcings. The aggregated spatio-temporal differences between each simulated process and a chosen reference data set then are quantified by means of root-mean-square error statistics; the differences among alternative validation data sets are similarly quantified as an estimate of the current observational uncertainty in the selected land-surface process. Examples of these metrics are displayed for land-surface air temperature, precipitation, and the latent and sensible heat fluxes. It is found that the simulations of surface air temperature, when aggregated over all land and seasons, agree most closely with the chosen reference data, while the simulations of precipitation agree least. In the latter case, there also is considerable inter-model scatter in the error statistics, with the reanalyses estimates of precipitation resembling the AMIP II simulations more than to the chosen reference data. In aggregate, the simulations of land-surface latent and

  3. Simulating atomic-scale phenomena on surfaces of unconventional superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Kreisel, Andreas; Andersen, Brian [Niels Bohr Institute (Denmark); Choubey, Peayush; Hirschfeld, Peter [Univ. of Florida (United States); Berlijn, Tom [CNMS and CSMD, Oak Ridge National Laboratory (United States)

    2016-07-01

    Interest in atomic scale effects in superconductors has increased because of two general developments: First, the discovery of new materials as the cuprate superconductors, heavy fermion and Fe-based superconductors where the coherence length of the cooper pairs is as small to be comparable to the lattice constant, rendering small scale effects important. Second, the experimental ability to image sub-atomic features using scanning-tunneling microscopy which allows to unravel numerous physical properties of the homogeneous system such as the quasi particle excitation spectra or various types of competing order as well as properties of local disorder. On the theoretical side, the available methods are based on lattice models restricting the spatial resolution of such calculations. In the present project we combine lattice calculations using the Bogoliubov-de Gennes equations describing the superconductor with wave function information containing sub-atomic resolution obtained from ab initio approaches. This allows us to calculate phenomena on surfaces of superconductors as directly measured in scanning tunneling experiments and therefore opens the possibility to identify underlying properties of these materials and explain observed features of disorder. It will be shown how this method applies to the cuprate material Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} and a Fe based superconductor.

  4. Numerical simulation of viscous flow and hydrodynamic noise in surface ship

    Directory of Open Access Journals (Sweden)

    YU Han

    2017-12-01

    Full Text Available [Objectives] The problem of noise caused by an unsteady flow field around a surface ship is a difficulty facing the stealth design of ship hulls, in which the existence of the free surface makes it different from submarine hydrodynamic noise calculation. To solve this problem,[Methods] the Volume of Fluid(VOF method and SST k-ω turbulence model are combined to simulate the unsteady flow field of the hull, and the free surface is given an air acoustic impedance to simulate the absorption boundary. The pulsating pressure of the hull surface is used as the source of the noise, and the underwater radiation noise of the surface ship is calculated with the acoustic finite element method.[Results] The results show high agreement with the experimental results and previous simulation results. The noise sources are mainly concentrated at the bow of the hull.[Conclusions] The results show that this calculation method can accurately simulate the flow field and sound field of a surface ship, and it can provides valuable reference for the acoustic stealth design of surface ships.

  5. Springback Simulation and Tool Surface Compensation Algorithm for Sheet Metal Forming

    International Nuclear Information System (INIS)

    Shen Guozhe; Hu Ping; Zhang Xiangkui; Chen Xiaobin; Li Xiaoda

    2005-01-01

    Springback is an unquenchable forming defect in the sheet metal forming process. How to calculate springback accurately is a big challenge for a lot of FEA software. Springback compensation makes the stamped final part accordant with the designed part shape by modifying tool surface, which depends on the accurate springback amount. How ever, the meshing data based on numerical simulation is expressed by nodes and elements, such data can not be supplied directly to tool surface CAD data. In this paper, a tool surface compensation algorithm based on numerical simulation technique of springback process is proposed in which the independently developed dynamic explicit springback algorithm (DESA) is used to simulate springback amount. When doing the tool surface compensation, the springback amount of the projected point can be obtained by interpolation of the springback amount of the projected element nodes. So the modified values of tool surface can be calculated reversely. After repeating the springback and compensation calculations for 1∼3 times, the reasonable tool surface mesh is gained. Finally, the FEM data on the compensated tool surface is fitted into the surface by CAD modeling software. The examination of a real industrial part shows the validity of the present method

  6. Finite element simulation of surface defects in the automobile door outer panel

    International Nuclear Information System (INIS)

    Fukumura, Masaru; Yamasaki, Yuji; Inage, Daisuke; Fujita, Takashi

    2004-01-01

    Recently, a sheet metal forming simulation has become an indispensable tool for developing a new model of an automobile part within a limited short period. In these days, the utilization of a springback calculation of the formed part has been increasing. However, only a few papers on the prediction of surface defects have been reported in spite of serious needs.In this paper, surface defects in the door outer panel, especially those around the door handle embossment, have been investigated. Applying an explicit solver to the forming simulation, and an implicit solver to the springback calculation, we have tried to evaluate surface defects in the panel. In order to improve the accuracy of the simulation, numerical tools have been modeled including the precise shape of the draw beads so that the draw bead effects on both the material flow and the restraint on the springback deformation have been considered. Compared with the actual panel shape, which shows apparent surface defects, the simulated result has closely predicted the above defects around the embossment.To demonstrate the applicability of our simulation, a few sensitivity analyses have been carried out, modifying forming conditions such as blank holder force. Each result has shown slight but distinctive differences in the cross section profile of the panel. As a result, it has been realized that the influence of each considered factor on surface defects is qualitatively consistent with our practical knowledge

  7. Simulation of the evolution of fused silica's surface defect during wet chemical etching

    Science.gov (United States)

    Liu, Taixiang; Yang, Ke; Li, Heyang; Yan, Lianghong; Yuan, Xiaodong; Yan, Hongwei

    2017-08-01

    Large high-power-laser facility is the basis for achieving inertial confinement fusion, one of whose missions is to make fusion energy usable in the near future. In the facility, fused silica optics plays an irreplaceable role to conduct extremely high-intensity laser to fusion capsule. But the surface defect of fused silica is a major obstacle limiting the output power of the large laser facility and likely resulting in the failure of ignition. To mitigate, or event to remove the surface defect, wet chemical etching has been developed as a practical way. However, how the surface defect evolves during wet chemical etching is still not clearly known so far. To address this problem, in this work, the three-dimensional model of surface defect is built and finite difference time domain (FDTD) method is developed to simulate the evolution of surface defect during etching. From the simulation, it is found that the surface defect will get smooth and result in the improvement of surface quality of fused silica after etching. Comparatively, surface defects (e.g. micro-crack, scratch, series of pinholes, etc.) of a typical fused silica at different etching time are experimentally measured. It can be seen that the simulation result agrees well with the result of experiment, indicating the FDTD method is valid for investigating the evolution of surface defect during etching. With the finding of FDTD simulation, one can optimize the treatment process of fused silica in practical etching or even to make the initial characterization of surface defect traceable.

  8. Impact of dynamic vegetation phenology on the simulated pan-Arctic land surface state

    Science.gov (United States)

    Teufel, Bernardo; Sushama, Laxmi; Arora, Vivek K.; Verseghy, Diana

    2018-03-01

    The pan-Arctic land surface is undergoing rapid changes in a warming climate, with near-surface permafrost projected to degrade significantly during the twenty-first century. Vegetation-related feedbacks have the potential to influence the rate of degradation of permafrost. In this study, the impact of dynamic phenology on the pan-Arctic land surface state, particularly near-surface permafrost, for the 1961-2100 period, is assessed by comparing two simulations of the Canadian Land Surface Scheme (CLASS)—one with dynamic phenology, modelled using the Canadian Terrestrial Ecosystem Model (CTEM), and the other with prescribed phenology. These simulations are forced by atmospheric data from a transient climate change simulation of the 5th generation Canadian Regional Climate Model (CRCM5) for the Representative Concentration Pathway 8.5 (RCP8.5). Comparison of the CLASS coupled to CTEM simulation to available observational estimates of plant area index, spatial distribution of permafrost and active layer thickness suggests that the model captures reasonably well the overall distribution of vegetation and permafrost. It is shown that the most important impact of dynamic phenology on the land surface occurs through albedo and it is demonstrated for the first time that vegetation control on albedo during late spring and early summer has the highest potential to impact the degradation of permafrost. While both simulations show extensive near-surface permafrost degradation by the end of the twenty-first century, the strong projected response of vegetation to climate warming and increasing CO2 concentrations in the coupled simulation results in accelerated permafrost degradation in the northernmost continuous permafrost regions.

  9. Counterion release from a discretely charged surface in an electrolyte: Monte Carlo simulation study

    International Nuclear Information System (INIS)

    Hernández-Contreras, M

    2015-01-01

    Monte Carlo simulations allowed us to determine the amount of released electric charges from a discretely charged surface in 1:1 aqueous electrolyte solution as a function of surface charge density. Within the restricted primitive model and for a fixed concentration of 0.1 M bulk electrolyte in solution, there is an increase in the number of released counterions per unit surface area as the strength of the surface charge is enhanced. A similar behaviour of the number of released counterions was also found through the use of mean field and liquid theory methods

  10. Molecular Dynamics Simulation and Analysis of Interfacial Water at Selected Sulfide Mineral Surfaces under Anaerobic Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Jiaqi; Miller, Jan D.; Dang, Liem X.

    2014-04-10

    In this paper, we report on a molecular dynamics simulation (MDS) study of the behavior of interfacial water at selected sulfide mineral surfaces under anaerobic conditions. The study revealed the interfacial water structure and wetting characteristics of the pyrite (100) surface, galena (100) surface, chalcopyrite (012) surface, sphalerite (110) surface, and molybdenite surfaces (i.e., the face, armchair-edge, and zigzag-edge surfaces), including simulated contact angles, relative number density profiles, water dipole orientations, hydrogen-bonding, and residence times. For force fields of the metal and sulfur atoms in selected sulfide minerals used in the MDS, we used the universal force field (UFF) and another set of force fields optimized by quantum chemical calculations for interactions with interfacial water molecules at selected sulfide mineral surfaces. Simulation results for the structural and dynamic properties of interfacial water molecules indicate the natural hydrophobic character for the selected sulfide mineral surfaces under anaerobic conditions as well as the relatively weak hydrophobicity for the sphalerite (110) surface and two molybdenite edge surfaces. Part of the financial support for this study was provided by the U.S. Department of Energy (DOE) under Basic Science Grant No. DE-FG-03-93ER14315. The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the DOE, funded work performed by Liem X. Dang. Battelle operates Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES. The authors are grateful to Professor Tsun-Mei Chang for valuable discussions.

  11. Structure analysis of Pd(1 1 0) surface by computer simulation of NAACO's

    International Nuclear Information System (INIS)

    Takeuchi, Wataru; Yamamura, Yasunori

    2001-01-01

    The relaxation at a Pd(1 1 0) surface has been estimated using the computer simulation of 165 deg. neutral impact-collision ion scattering spectroscopy (NICISS). The computer simulations employing ACOCT program code treated three-dimensionally the atomic collisions and based on the binary collision approximation (BCA) were performed for the case of 2.08 keV Ne + ions incident along the [1 1-bar 2] azimuth of the Pd(1 1 0) surface. The experimental results of Speller et al. (Surf. Sci. 383 (1997) 131) are well reproduced by the ACOCT simulations including the inward relaxation of 14% of the first interlayer spacing and including the vertical component of surface Debye temperature of 125 K

  12. Molecular dynamics simulation of wetting behaviors of Li on W surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Xuegui [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Xiao, Shifang [Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082 (China); Deng, Huiqiu, E-mail: hqdeng@hnu.edu.cn [Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082 (China); Hu, Wangyu, E-mail: wyuhu@hnu.edu.cn [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China)

    2017-04-15

    A modified analytic embedded atom potential has been developed for the Li-W system. The potential has been fitted to physical quantities derived from density functional theory calculations. It is shown that the new potential is capable of reproducing the solubility of solid solution for Li-W systems. The wetting behaviors between solid tungsten and liquid Li are examined by using molecular dynamics simulations. The MD simulation results for the Li droplet wetting on the W surface illustrated that our MAEAM potential model has a good forecasting ability for the contact angle of liquid Li on W the cleaning surface above the wetting temperature. And the results of Li film dewetting from the W surfaces are consistent with relative experimental results. It is believed that the potential can be used to investigate the surfaces wettability of liquid Li on W substrate. We also simulated the lithium droplet on grooved surface. It is shown that the grooving W surfaces can obviously improve the wetting of liquid Li on W surfaces.

  13. CFD simulation of rotor aerodynamic performance when using additional surface structure array

    Science.gov (United States)

    Wang, Bing; Kong, Deyi

    2017-10-01

    The present work analyses the aerodynamic performance of the rotor with additional surface structure array in an attempt to maximize its performance in hover flight. The unstructured grids and the Reynolds Average Navier-Stokes equations were used to calculate the performance of the prototype rotor and the rotor with additional surface structure array in the air. The computational fluid dynamics software FLUENT was used to simulate the thrust of the rotors. The results of the calculations are in reasonable agreement with experimental data, which shows that the calculation model used in this work is useful in simulating the performance of the rotor with additional surface structure array. With this theoretical calculation model, the thrusts of the rotors with arrays of surface structure in three different shapes were calculated. According to the simulation results and the experimental data, the rotor with triangle surface structure array has better aerodynamic performance than the other rotors. In contrast with the prototype rotor, the thrust of the rotor with triangle surface structure array increases by 5.2% at the operating rotating speed of 3000r/min, and the additional triangle surface structure array has almost no influence on the efficiency of the rotor.

  14. Ground Simulations of Near-Surface Plasma Field and Charging at the Lunar Terminator

    Science.gov (United States)

    Polansky, J.; Ding, N.; Wang, J.; Craven, P.; Schneider, T.; Vaughn, J.

    2012-12-01

    Charging in the lunar terminator region is the most complex and is still not well understood. In this region, the surface potential is sensitively influenced by both solar illumination and plasma flow. The combined effects from localized shadow generated by low sun elevation angles and localized wake generated by plasma flow over the rugged terrain can generate strongly differentially charged surfaces. Few models currently exist that can accurately resolve the combined effects of plasma flow and solar illumination over realistic lunar terminator topographies. This paper presents an experimental investigation of lunar surface charging at the terminator region in simulated plasma environments in a vacuum chamber. The solar wind plasma flow is simulated using an electron bombardment gridded Argon ion source. An electrostatic Langmuir probe, nude Faraday probes, a floating emissive probe, and retarding potential analyzer are used to quantify the plasma flow field. Surface potentials of both conducting and dielectric materials immersed in the plasma flow are measured with a Trek surface potential probe. The conducting material surface potential will simultaneously be measured with a high impedance voltmeter to calibrate the Trek probe. Measurement results will be presented for flat surfaces and objects-on-surface for various angles of attack of the plasma flow. The implications on the generation of localized plasma wake and surface charging at the lunar terminator will be discussed. (This research is supported by the NASA Lunar Advanced Science and Exploration Research program.)

  15. Impact of including surface currents on simulation of Indian Ocean variability with the POAMA coupled model

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Mei; Wang, Guomin; Hendon, Harry H.; Alves, Oscar [Bureau of Meteorology, Centre for Australian Weather and Climate Research, Melbourne (Australia)

    2011-04-15

    Impacts on the coupled variability of the Indo-Pacific by including the effects of surface currents on surface stress are explored in four extended integrations of an experimental version of the Bureau of Meteorology's coupled seasonal forecast model POAMA. The first pair of simulations differs only in their treatment of momentum coupling: one version includes the effects of surface currents on the surface stress computation and the other does not. The version that includes the effect of surface currents has less mean-state bias in the equatorial Pacific cold tongue but produces relatively weak coupled variability in the Tropics, especially that related to the Indian Ocean dipole (IOD) and El Nino/Southern Oscillation (ENSO). The version without the effects of surface currents has greater bias in the Pacific cold tongue but stronger IOD and ENSO variability. In order to diagnose the role of changes in local coupling from changes in remote forcing by ENSO for causing changes in IOD variability, a second set of simulations is conducted where effects of surface currents are included only in the Indian Ocean and only in the Pacific Ocean. IOD variability is found to be equally reduced by inclusion of the local effects of surface currents in the Indian Ocean and by the reduction of ENSO variability as a result of including effects of surface currents in the Pacific. Some implications of these results for predictability of the IOD and its dependence on ENSO, and for ocean subsurface data assimilation are discussed. (orig.)

  16. Monte Carlo simulation of heavy ion induced kinetic electron emission from an Al surface

    CERN Document Server

    Ohya, K

    2002-01-01

    A Monte Carlo simulation is performed in order to study heavy ion induced kinetic electron emission from an Al surface. In the simulation, excitation of conduction band electrons by the projectile ion and recoiling target atoms is treated on the basis of the partial wave expansion method, and the cascade multiplication process of the excited electrons is simulated as well as collision cascade of the recoiling target atoms. Experimental electron yields near conventional threshold energies of heavy ions are simulated by an assumption of a lowering in the apparent surface barrier for the electrons. The present calculation derives components for electron excitations by the projectile ion, the recoiling target atoms and the electron cascades, from the calculated total electron yield. The component from the recoiling target atoms increases with increasing projectile mass, whereas the component from the electron cascade decreases. Although the components from the projectile ion and the electron cascade increase with...

  17. Modifying a dynamic global vegetation model for simulating large spatial scale land surface water balance

    Science.gov (United States)

    Tang, G.; Bartlein, P. J.

    2012-01-01

    Water balance models of simple structure are easier to grasp and more clearly connect cause and effect than models of complex structure. Such models are essential for studying large spatial scale land surface water balance in the context of climate and land cover change, both natural and anthropogenic. This study aims to (i) develop a large spatial scale water balance model by modifying a dynamic global vegetation model (DGVM), and (ii) test the model's performance in simulating actual evapotranspiration (ET), soil moisture and surface runoff for the coterminous United States (US). Toward these ends, we first introduced development of the "LPJ-Hydrology" (LH) model by incorporating satellite-based land covers into the Lund-Potsdam-Jena (LPJ) DGVM instead of dynamically simulating them. We then ran LH using historical (1982-2006) climate data and satellite-based land covers at 2.5 arc-min grid cells. The simulated ET, soil moisture and surface runoff were compared to existing sets of observed or simulated data for the US. The results indicated that LH captures well the variation of monthly actual ET (R2 = 0.61, p 0.46, p 0.52) with observed values over the years 1982-2006, respectively. The modeled spatial patterns of annual ET and surface runoff are in accordance with previously published data. Compared to its predecessor, LH simulates better monthly stream flow in winter and early spring by incorporating effects of solar radiation on snowmelt. Overall, this study proves the feasibility of incorporating satellite-based land-covers into a DGVM for simulating large spatial scale land surface water balance. LH developed in this study should be a useful tool for studying effects of climate and land cover change on land surface hydrology at large spatial scales.

  18. Semi-implicit surface tension formulation with a Lagrangian surface mesh on an Eulerian simulation grid

    KAUST Repository

    Schroeder, Craig

    2012-02-01

    We present a method for applying semi-implicit forces on a Lagrangian mesh to an Eulerian discretization of the Navier Stokes equations in a way that produces a sparse symmetric positive definite system. The resulting method has semi-implicit and fully-coupled viscosity, pressure, and Lagrangian forces. We apply our new framework for forces on a Lagrangian mesh to the case of a surface tension force, which when treated explicitly leads to a tight time step restriction. By applying surface tension as a semi-implicit Lagrangian force, the resulting method benefits from improved stability and the ability to take larger time steps. The resulting discretization is also able to maintain parasitic currents at low levels. © 2011.

  19. A Method to Simulate the Observed Surface Properties of Proton Irradiated Silicon Strip Sensors

    CERN Document Server

    Peltola, Timo Hannu Tapani

    2014-01-01

    A defect model of Synopsys Sentaurus TCAD simulation package for the bulk properties of proton irradiated devices has been producing simulations closely matching to measurements of silicon strip detectors. However, the model does not provide the expected behavior due to the fluence increased surface damage. The solution requires an approach that does not affect the accurate bulk properties produced by the proton model, but only adds to it the required radiation induced properties close to the surface. These include the observed position dependency of the strip detector's...

  20. Simulation and analysis of surface scintillator signals at the Pierre Auger Observatory

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, David; Veberic, Darko; Roth, Markus [Karlsruhe Institute of Technology, Karlsruhe (Germany); Collaboration: Pierre-Auger-Collaboration

    2016-07-01

    To improve reconstruction of cosmic ray primary mass, the Pierre Auger Observatory is upgrading its surface detectors by installing a scintillator on top of each existing water Cherenkov tank. The different responses of the coupled detectors to the components of extensive air showers facilitates estimation of the number of muons reaching Earth's surface, which is correlated with primary mass. Geant4 and the Offline framework are used to simulate the detectors' responses, construct signal traces for individual particle components, and calculate total expected signals. This enables assessment of proposed reconstruction algorithms. An overview of the simulations and selected algorithms is presented here.

  1. Experimental demonstration of Martian soil simulant removal from a surface using a pulsed plasma jet

    Science.gov (United States)

    Ticoş, C. M.; Scurtu, A.; Toader, D.; Banu, N.

    2015-03-01

    A plasma jet produced in a small coaxial plasma gun operated at voltages up to 2 kV and working in pure carbon dioxide (CO2) at a few Torr is used to remove Martian soil simulant from a surface. A capacitor with 0.5 mF is charged up from a high voltage source and supplies the power to the coaxial electrodes. The muzzle of the coaxial plasma gun is placed at a few millimeters near the dusty surface and the jet is fired parallel with the surface. Removal of dust is imaged in real time with a high speed camera. Mars regolith simulant JSC-Mars-1A with particle sizes up to 5 mm is used on different types of surfaces made of aluminium, cotton fabric, polyethylene, cardboard, and phenolic.

  2. Experimental demonstration of Martian soil simulant removal from a surface using a pulsed plasma jet.

    Science.gov (United States)

    Ticoş, C M; Scurtu, A; Toader, D; Banu, N

    2015-03-01

    A plasma jet produced in a small coaxial plasma gun operated at voltages up to 2 kV and working in pure carbon dioxide (CO2) at a few Torr is used to remove Martian soil simulant from a surface. A capacitor with 0.5 mF is charged up from a high voltage source and supplies the power to the coaxial electrodes. The muzzle of the coaxial plasma gun is placed at a few millimeters near the dusty surface and the jet is fired parallel with the surface. Removal of dust is imaged in real time with a high speed camera. Mars regolith simulant JSC-Mars-1A with particle sizes up to 5 mm is used on different types of surfaces made of aluminium, cotton fabric, polyethylene, cardboard, and phenolic.

  3. Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

    Science.gov (United States)

    Ge, Zhenpeng; Wang, Yi

    2017-04-20

    Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

  4. Local-Scale Simulations of Nucleate Boiling on Micrometer Featured Surfaces: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Sitaraman, Hariswaran [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Moreno, Gilberto [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Narumanchi, Sreekant V [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Dede, Ercan M. [Toyota Research Institute of North America; Joshi, Shailesh N. [Toyota Research Institute of North America; Zhou, Feng [Toyota Research Institute of North America

    2017-08-03

    A high-fidelity computational fluid dynamics (CFD)-based model for bubble nucleation of the refrigerant HFE7100 on micrometer-featured surfaces is presented in this work. The single-fluid incompressible Navier-Stokes equations, along with energy transport and natural convection effects are solved on a featured surface resolved grid. An a priori cavity detection method is employed to convert raw profilometer data of a surface into well-defined cavities. The cavity information and surface morphology are represented in the CFD model by geometric mesh deformations. Surface morphology is observed to initiate buoyancy-driven convection in the liquid phase, which in turn results in faster nucleation of cavities. Simulations pertaining to a generic rough surface show a trend where smaller size cavities nucleate with higher wall superheat. This local-scale model will serve as a self-consistent connection to larger device scale continuum models where local feature representation is not possible.

  5. Local-Scale Simulations of Nucleate Boiling on Micrometer-Featured Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sitaraman, Hariswaran [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Moreno, Gilberto [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Narumanchi, Sreekant V [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Dede, Ercan M. [Toyota Research Institute of North America; Joshi, Shailesh N. [Toyota Research Institute of North America; Zhou, Feng [Toyota Research Institute of North America

    2017-07-12

    A high-fidelity computational fluid dynamics (CFD)-based model for bubble nucleation of the refrigerant HFE7100 on micrometer-featured surfaces is presented in this work. The single-fluid incompressible Navier-Stokes equations, along with energy transport and natural convection effects are solved on a featured surface resolved grid. An a priori cavity detection method is employed to convert raw profilometer data of a surface into well-defined cavities. The cavity information and surface morphology are represented in the CFD model by geometric mesh deformations. Surface morphology is observed to initiate buoyancy-driven convection in the liquid phase, which in turn results in faster nucleation of cavities. Simulations pertaining to a generic rough surface show a trend where smaller size cavities nucleate with higher wall superheat. This local-scale model will serve as a self-consistent connection to larger device scale continuum models where local feature representation is not possible.

  6. Effect of the surface charge discretization on electric double layers. A Monte Carlo simulation study

    OpenAIRE

    Madurga Díez, Sergio; Martín-Molina, Alberto; Vilaseca i Font, Eudald; Mas i Pujadas, Francesc; Quesada-Pérez, Manuel

    2007-01-01

    The structure of the electric double layer in contact with discrete and continuously charged planar surfaces is studied within the framework of the primitive model through Monte Carlo simulations. Three different discretization models are considered together with the case of uniform distribution. The effect of discreteness is analyzed in terms of charge density profiles. For point surface groups,a complete equivalence with the situation of uniformly distributed charge is found if profiles are...

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

    Science.gov (United States)

    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

  8. Direct numerical simulation of turbulent channel flow over a liquid-infused micro-grooved surface

    Science.gov (United States)

    Chang, Jaehee; Jung, Taeyong; Choi, Haecheon; Kim, John

    2016-11-01

    Recently a superhydrophobic surface has drawn much attention as a passive device to achieve high drag reduction. Despite the high performance promised at ideal conditions, maintaining the interface in real flow conditions is an intractable problem. A non-wetting surface, known as the slippery liquid-infused porous surface (SLIPS) or the lubricant-impregnated surface (LIS), has shown a potential for drag reduction, as the working fluid slips at the interface but cannot penetrate into the lubricant layer. In the present study, we perform direct numerical simulation of turbulent channel flow over a liquid-infused micro-grooved surface to investigate the effects of this surface on the interfacial slip and drag reduction. The flow rate of water is maintained constant corresponding to Reτ 180 in a fully developed turbulent channel flow, and the lubricant layer is shear-driven by the turbulent water flow. The lubricant layer is also simulated with the assumption that the interface is flat (i.e. the surface tension effect is neglected). The solid substrate in which the lubricant is infused is modelled as straight ridges using an immersed boundary method. DNS results show that drag reduction by the liquid-infused surface is highly dependent on the viscosity of the lubricant.

  9. MONTE CARLO SIMULATIONS OF THE ADSORPTION OF DIMERS ON STRUCTURED HETEROGENEOUS SURFACES

    Directory of Open Access Journals (Sweden)

    Abreu C.R.A.

    2001-01-01

    Full Text Available The effect of surface topography upon the adsorption of dimer molecules is analyzed by means of grand canonical ensemble Monte Carlo simulations. Heterogeneous surfaces were assumed to consist of a square lattice containing active sites with two different energies. These were distributed in three different configurations: a random distribution of isolated sites; a random distribution of grains with four high-energy sites; and a random distribution of grains with nine high-energy sites. For the random distribution of isolated sites, the results are in good agreement with the molecular simulations performed by Nitta et al. (1997. In general, the comparison with theoretical models shows that the Nitta et al. (1984 isotherm presents good predictions of dimer adsorption both on homogeneous and heterogeneous surfaces with sites having small differences in characteristic energies. The molecular simulation results also show that the energy topology of the solid surfaces plays an important role in the adsorption of dimers on solids with large differences in site energies. For these cases, the Nitta et al. model does not describe well the data on dimer adsorption on random heterogeneous surfaces (grains with one acid site, but does describe reasonably well the adsorption of dimers on more patchwise heterogeneous surfaces (grains with nine acid sites.

  10. Simulation and analysis on thermodynamic performance of surface water source heat pump system

    Institute of Scientific and Technical Information of China (English)

    Nan Lv; Qing Zhang; Zhenqian Chen; Dongsheng Wu

    2017-01-01

    This work established a thermodynamic performance model of a heat pump system containing a heat pump unit model, an air conditioning cooling and heating load calculation model, a heat exchanger model and a water pump performance model based on mass and energy balances. The thermodynamic performance of a surface water source heat pump air conditioning system was simulated and verified by comparing the simulation results to an actual engineering project. In addition, the effects of the surface water temperature, heat exchanger structure and surface water pipeline transportation system on the thermodynamic performance of the heat pump air conditioning system were analyzed. Under the simulated conditions in this paper with a cooling load of 3400 kW, the results showed that a 1 ℃ decrease in the surface water temperature leads to a 2.3 percent increase in the coefficient of performance; furthermore, an additional 100 m of length for the closed-loop surface water heat exchanger tube leads to a 0.08 percent increase in the coefficient of performance. To decrease the system energy consumption, the optimal working point should be specified according to the surface water transportation length.

  11. Simulating Seismic Wave Propagation in Viscoelastic Media with an Irregular Free Surface

    Science.gov (United States)

    Liu, Xiaobo; Chen, Jingyi; Zhao, Zhencong; Lan, Haiqiang; Liu, Fuping

    2018-05-01

    In seismic numerical simulations of wave propagation, it is very important for us to consider surface topography and attenuation, which both have large effects (e.g., wave diffractions, conversion, amplitude/phase change) on seismic imaging and inversion. An irregular free surface provides significant information for interpreting the characteristics of seismic wave propagation in areas with rugged or rapidly varying topography, and viscoelastic media are a better representation of the earth's properties than acoustic/elastic media. In this study, we develop an approach for seismic wavefield simulation in 2D viscoelastic isotropic media with an irregular free surface. Based on the boundary-conforming grid method, the 2D time-domain second-order viscoelastic isotropic equations and irregular free surface boundary conditions are transferred from a Cartesian coordinate system to a curvilinear coordinate system. Finite difference operators with second-order accuracy are applied to discretize the viscoelastic wave equations and the irregular free surface in the curvilinear coordinate system. In addition, we select the convolutional perfectly matched layer boundary condition in order to effectively suppress artificial reflections from the edges of the model. The snapshot and seismogram results from numerical tests show that our algorithm successfully simulates seismic wavefields (e.g., P-wave, Rayleigh wave and converted waves) in viscoelastic isotropic media with an irregular free surface.

  12. Study on applicability of numerical simulation to evaluation of gas entrainment due to free surface vortex

    International Nuclear Information System (INIS)

    Ito, Kei; Kunugi, Tomoaki; Ohshima, Hiroyuki

    2008-01-01

    An onset condition of gas entrainment (GE) due to free surface vortex has been studied to establish a design of sodium-cooled fast reactor with a higher coolant velocity than conventional designs. Numerous investigations have been conducted experimentally and theoretically; however, the universal onset condition of the GE has not been determined yet due to the nonlinear characteristics of the GE. Recently, we have been studying numerical simulation methods as a promising method to evaluate GE, instead of the reliable but costly real-scale tests. In this paper, the applicability of the numerical simulation methods to the evaluation of the GE is discussed. For the purpose, a quasi-steady vortex in a cylindrical tank and a wake vortex (unsteady vortex) in a rectangular channel were numerically simulated using the volume-of-fluid type two-phase flow calculation method. The simulated velocity distributions and free surface shapes of the quasi-steady vortex showed good (not perfect, however) agreements with experimental results when a fine mesh subdivision and a high-order discretization scheme were employed. The unsteady behavior of the wake vortex was also simulated with high accuracy. Although the onset condition of the GE was slightly underestimated in the simulation results, the applicability of the numerical simulation methods to the GE evaluation was confirmed. (author)

  13. Stable water isotope simulation by current land-surface schemes:Results of IPILPS phase 1

    Energy Technology Data Exchange (ETDEWEB)

    Henderson-Sellers, A.; Fischer, M.; Aleinov, I.; McGuffie, K.; Riley, W.J.; Schmidt, G.A.; Sturm, K.; Yoshimura, K.; Irannejad, P.

    2005-10-31

    Phase 1 of isotopes in the Project for Intercomparison of Land-surface Parameterization Schemes (iPILPS) compares the simulation of two stable water isotopologues ({sup 1}H{sub 2} {sup 18}O and {sup 1}H{sup 2}H{sup 16}O) at the land-atmosphere interface. The simulations are off-line, with forcing from an isotopically enabled regional model for three locations selected to offer contrasting climates and ecotypes: an evergreen tropical forest, a sclerophyll eucalypt forest and a mixed deciduous wood. Here we report on the experimental framework, the quality control undertaken on the simulation results and the method of intercomparisons employed. The small number of available isotopically-enabled land-surface schemes (ILSSs) limits the drawing of strong conclusions but, despite this, there is shown to be benefit in undertaking this type of isotopic intercomparison. Although validation of isotopic simulations at the land surface must await more, and much more complete, observational campaigns, we find that the empirically-based Craig-Gordon parameterization (of isotopic fractionation during evaporation) gives adequately realistic isotopic simulations when incorporated in a wide range of land-surface codes. By introducing two new tools for understanding isotopic variability from the land surface, the Isotope Transfer Function and the iPILPS plot, we show that different hydrological parameterizations cause very different isotopic responses. We show that ILSS-simulated isotopic equilibrium is independent of the total water and energy budget (with respect to both equilibration time and state), but interestingly the partitioning of available energy and water is a function of the models' complexity.

  14. Monitoring peptide-surface interaction by means of molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Nonella, Marco, E-mail: mnonella@pci.uzh.ch [Physikalisch-Chemisches Institut, Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland); Seeger, Stefan, E-mail: sseeger@pci.uzh.ch [Physikalisch-Chemisches Institut, Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland)

    2010-12-09

    Graphical abstract: Protein-surface interactions play a crucial role in a wide field of research areas like biology, biotechnology, or pharmacology. Only recently, it has been shown that not only peptide adsorption represents an important process but also spreading and clustering of adsorbed proteins. By means of classical molecular dynamics, peptide adsorption as well as the dynamics of adsorbed peptides have been investigated in order to gain deeper insight into such processes. The picture shows a snapshot of an adsorbed peptide on a silica surface showing strong direct hydrogen bonding. Research highlights: {yields} Simulation of peptide surface interaction. {yields} Dynamics of hydrogen bond formation and destruction. {yields} Internal flexibility of adsorbed peptides. - Abstract: Protein adsorption and protein surface interactions have become an important research topic in recent years. Very recently, for example, it has been shown that protein clusters can undergo a surface-induced spreading after adsorption. Such phenomena emphasize the need of a more detailed insight into protein-silica interaction at an atomic level. Therefore, we have studied a model system consisting of a short peptide, a silica slab, and water molecules by means of classical molecular dynamics simulations. The study reveals that, besides of electrostatic interactions caused by the chosen charge distribution, the peptide interacts with the silica surface through formation of direct peptide-surface hydrogen bonds as well as indirect peptide-water-surface hydrogen bonds. The number of created hydrogen bonds varies considerably among the simulated structures. The strength of hydrogen bonding determines the mobility of the peptide on the surface and the internal flexibility of the adsorbed peptide.

  15. Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions.

    Science.gov (United States)

    Dos Santos, Alexandre P; Girotto, Matheus; Levin, Yan

    2017-11-14

    We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of the Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from the surface polarization can be decoupled from the energy due to the direct Coulomb interaction between the ions. This allows us to combine an efficient Ewald summation method, or any other fast method for summing over the replicas, with the polarization contribution calculated using Green function techniques. We apply the method to calculate density profiles of ions confined between the charged dielectric and metal surfaces.

  16. Water adsorption on amorphous silica surfaces: a Car-Parrinello simulation study

    International Nuclear Information System (INIS)

    Mischler, Claus; Horbach, Juergen; Kob, Walter; Binder, Kurt

    2005-01-01

    A combination of classical molecular dynamics (MD) and ab initio Car-Parrinello molecular dynamics (CPMD) simulations is used to investigate the adsorption of water on a free amorphous silica surface. From the classical MD, SiO 2 configurations with a free surface are generated which are then used as starting configurations for the CPMD. We study the reaction of a water molecule with a two-membered ring at the temperature T = 300 K. We show that the result of this reaction is the formation of two silanol groups on the surface. The activation energy of the reaction is estimated and it is shown that the reaction is exothermic

  17. Simulation of the erosion and drainage development of Loess surface based on GIS

    Science.gov (United States)

    Wang, Chun; Tang, Guoan; Ge, Shanshan; Li, Zhanbin; Zhou, Jieyu

    2006-10-01

    The research probes into the temporal-spatial process of drainage development of Loess Plateau on the basis of a carefully designed experiment. In the experiment, the development of a simulated loess watershed is tested under the condition of lab-simulated rainfall. A close-range photogrammetry survey is employed to establish a series of high precision and resolution DEM (Digit Elevation Model) of the simulated loess surface. Based on the established DEM, the erosion loss, the slope distribution, the topographic index , the gully-brink, and the drainage networks are all derived and discussed through comparison analysis and experimental validation. All the efforts aim at revealing the process and mechanism of erosion and drainage development of loess surface .This study demonstrates: 1) the stimulation result can effectively reflect the truth if those experimental conditions, i.e. loess soil structure, simulated rainfall, are adjusted in accord with true situation; 2) the remarkable character of the erosion and drainage up-growth of loess surface include the drainage traced to the source, the increased of the drainage's density, the enlarged of gully, the durative variety of multiple terrain factor's mean value and its distribution, such as slope and topographic index; 3) The slope spectrum is the more felicitous terrain factor for depicting the erosion and drainage development of loess surface, including the rule of erosion and evolution process. It is the new way and mean for studying the loess physiognomy.

  18. DYNAMIC SURFACE BOUNDARY-CONDITIONS - A SIMPLE BOUNDARY MODEL FOR MOLECULAR-DYNAMICS SIMULATIONS

    NARCIS (Netherlands)

    JUFFER, AH; BERENDSEN, HJC

    1993-01-01

    A simple model for the treatment of boundaries in molecular dynamics simulations is presented. The method involves the positioning of boundary atoms on a surface that surrounds a system of interest. The boundary atoms interact with the inner region and represent the effect of atoms outside the

  19. Surface Wind Regionalization over Complex Terrain: Evaluation and Analysis of a High-Resolution WRF Simulation

    NARCIS (Netherlands)

    Jiménez, P.A.; González-Rouco, J.F.; García-Bustamante, E.; Navarro, J.; Montávez, J.P.; Vilà-Guerau de Arellano, J.; Dudhia, J.; Muñoz-Roldan, A.

    2010-01-01

    This study analyzes the daily-mean surface wind variability over an area characterized by complex topography through comparing observations and a 2-km-spatial-resolution simulation performed with the Weather Research and Forecasting (WRF) model for the period 1992–2005. The evaluation focuses on the

  20. Primary biodegradation of veterinary antibiotics in aerobic and anaerobic surface water simulation systems

    DEFF Research Database (Denmark)

    Ingerslev, Flemming; Toräng, Lars; Loke, M.-L.

    2001-01-01

    The primary aerobic and anaerobic biodegradability at intermediate concentrations (50-5000 mug/l) of the antibiotics olaquindox (OLA), metronidazole (MET), tylosin (TYL) and oxytetracycline (OTC) was studied in a simple shake flask system simulating the conditions in surface waters. The purpose...

  1. Characterization of Emissions and Residues from Simulations of the Deepwater Horizon Surface Oil Burns

    Science.gov (United States)

    The surface oil burns conducted by the U.S. Coast Guard from April to July 2010 during the Deepwater Horizon disaster in the Gulf of Mexico were simulated by small scale burns to characterize the pollutants, determine emission factors, and gather particulate matter for subsequent...

  2. Simulation of an Underwater Acoustic Communication Channel Characterized by Wind-Generated Surface Waves and Bubbles

    NARCIS (Netherlands)

    Dol, H.S.; Colin, M.E.G.D.; Ainslie, M.A.; Walree, P.A. van; Janmaat, J.

    2012-01-01

    Sea surface scattering by wind-generated waves and bubbles is regarded to be the main non-platform related cause of the time variability of shallow acoustic communication channels. Simulations for predicting the quality of acoustic communication links in such channels thus require adequate modeling

  3. The assessment of muscle strain with surface electromyograms during simulated mushroom picking

    DEFF Research Database (Denmark)

    Ohashi, Jun-Ya; Blangsted, Anne Katrine; Kofoed Nielsen, Pernille B.

    2008-01-01

    Muscle strain was assessed with surface EMG during simulated mushroom picking. Nine female subjects performed five periods of work (W1-W5). The duration of each period was about 20 min. W1, W2 and W3 were separated by a short break of several minutes. W3, W4 and W5 were separated by a rest period...

  4. SIPSON--simulation of interaction between pipe flow and surface overland flow in networks.

    Science.gov (United States)

    Djordjević, S; Prodanović, D; Maksimović, C; Ivetić, M; Savić, D

    2005-01-01

    The new simulation model, named SIPSON, based on the Preissmann finite difference method and the conjugate gradient method, is presented in the paper. This model simulates conditions when the hydraulic capacity of a sewer system is exceeded, pipe flow is pressurized, the water flows out from the piped system to the streets, and the inlets cannot capture all the runoff. In the mathematical model, buried structures and pipelines, together with surface channels, make a horizontally and vertically looped network involving a complex interaction of flows. In this paper, special internal boundary conditions related to equivalent inlets are discussed. Procedures are described for the simulation of manhole cover loss, basement flooding, the representation of street geometry, and the distribution of runoff hydrographs between surface and underground networks. All these procedures are built into the simulation model. Relevant issues are illustrated on a set of examples, focusing on specific parameters and comparison with field measurements of flooding of the Motilal ki Chal catchment (Indore, India). Satisfactory agreement of observed and simulated hydrographs and maximum surface flooding levels is obtained. It is concluded that the presented approach is an improvement compared to the standard "virtual reservoir" approach commonly applied in most of the models.

  5. Influence of surface conditions on fatigue strength through the numerical simulation of microstructure

    International Nuclear Information System (INIS)

    Le Pecheur, A.; Clavel, M.; Rey, C.; Bompard, P.; Le Pecheur, A.; Curtit, F.; Stephan, J.M.

    2010-01-01

    A thermal fatigue test (INTHERPOL) was developed by EDF in order to study the initiation of cracks. These tests are carried out on tubular specimens under various thermal loadings and surface finish qualities in order to give an account of these parameters on crack initiation. The main topic of this study is to test the sensitivity of different fatigue criteria to surface conditions using a micro/macro modelling approach. Therefore a 304L polycrystalline aggregate, used for cyclic plasticity based FE modelling, have been considered as a Representative Volume Element located at the surface and subsurface of the test tube. This aggregate has been cyclically strained according to the results issued from FE simulation of INTHERPOL thermal fatigue experiment. Different surface parameters have been numerically simulated: effects of local microstructure and of grains orientation, effects of machining: metallurgical prehardening, residual stress gradient, and surface roughness. Three different fatigue criteria (Manson Coffin, Fatemi Socie and dissipated energy types), previously fitted at a macro-scale for thermal fatigue of 304L, have been computed at a meso scale, in order to show the surface 'hot spots' features and test the sensitivity of these three criteria to different surface conditions. Results show that grain orientation and neighbouring play an important role on the location of hot spots, and also that the positive effect of pre-straining and the negative effect of roughness on fatigue life are not all similarly predicted by these different fatigue criteria. (authors)

  6. Simulation of Specular Surface Imaging Based on Computer Graphics: Application on a Vision Inspection System

    Directory of Open Access Journals (Sweden)

    Seulin Ralph

    2002-01-01

    Full Text Available This work aims at detecting surface defects on reflecting industrial parts. A machine vision system, performing the detection of geometric aspect surface defects, is completely described. The revealing of defects is realized by a particular lighting device. It has been carefully designed to ensure the imaging of defects. The lighting system simplifies a lot the image processing for defect segmentation and so a real-time inspection of reflective products is possible. To bring help in the conception of imaging conditions, a complete simulation is proposed. The simulation, based on computer graphics, enables the rendering of realistic images. Simulation provides here a very efficient way to perform tests compared to the numerous attempts of manual experiments.

  7. Two-dimensional simulation research of secondary electron emission avalanche discharge on vacuum insulator surface

    Science.gov (United States)

    Cai, Libing; Wang, Jianguo; Zhu, Xiangqin; Wang, Yue; Zhang, Dianhui

    2015-01-01

    Based on the secondary electron emission avalanche (SEEA) model, the SEEA discharge on the vacuum insulator surface is simulated by using a 2D PIC-MCC code developed by ourselves. The evolutions of the number of discharge electrons, insulator surface charge, current, and 2D particle distribution are obtained. The effects of the strength of the applied electric field, secondary electron yield coefficient, rise time of the pulse, length of the insulator on the discharge are investigated. The results show that the number of the SEEA electrons presents a quadratic dependence upon the applied field strength. The SEEA current, which is on the order of Ampere, is directly proportional to the field strength and secondary electron yield coefficient. Finally, the electron-stimulated outgassing is included in the simulation code, and a three-phase discharge curve is presented by the simulation, which agrees with the experimental data.

  8. Two-dimensional simulation research of secondary electron emission avalanche discharge on vacuum insulator surface

    International Nuclear Information System (INIS)

    Cai, Libing; Wang, Jianguo; Zhu, Xiangqin; Wang, Yue; Zhang, Dianhui

    2015-01-01

    Based on the secondary electron emission avalanche (SEEA) model, the SEEA discharge on the vacuum insulator surface is simulated by using a 2D PIC-MCC code developed by ourselves. The evolutions of the number of discharge electrons, insulator surface charge, current, and 2D particle distribution are obtained. The effects of the strength of the applied electric field, secondary electron yield coefficient, rise time of the pulse, length of the insulator on the discharge are investigated. The results show that the number of the SEEA electrons presents a quadratic dependence upon the applied field strength. The SEEA current, which is on the order of Ampere, is directly proportional to the field strength and secondary electron yield coefficient. Finally, the electron-stimulated outgassing is included in the simulation code, and a three-phase discharge curve is presented by the simulation, which agrees with the experimental data

  9. Finite Element Simulation of Sheet Metal Forming Process Using Local Interpolation for Tool Surfaces

    International Nuclear Information System (INIS)

    Hama, Takayuki; Takuda, Hirohiko; Takamura, Masato; Makinouchi, Akitake; Teodosiu, Cristian

    2005-01-01

    Treatment of contact between a sheet and tools is one of the most difficult problems to deal with in finite-element simulations of sheet forming processes. In order to obtain more accurate tool models without increasing the number of elements, this paper describes a new formulation for contact problems using interpolation proposed by Nagata for tool surfaces. A contact search algorithm between sheet nodes and the interpolated tool surfaces was developed and was introduced into the static-explicit elastoplastic finite-element method code STAMP3D. Simulations of a square cup deep drawing process with a very coarsely discretized punch model were carried out. The simulated results showed that the proposed algorithm gave the proper drawn shape, demonstrating the validity of the proposed algorithm

  10. A Method to Simulate the Observed Surface Properties of Proton Irradiated Silicon Strip Sensors

    CERN Document Server

    INSPIRE-00335524; Bhardwaj, A.; Dalal, R.; Eber, R.; Eichhorn, T.; Lalwani, K.; Messineo, A.; Printz, M.; Ranjan, K.

    2015-04-23

    During the scheduled high luminosity upgrade of LHC, the world's largest particle physics accelerator at CERN, the position sensitive silicon detectors installed in the vertex and tracking part of the CMS experiment will face more intense radiation environment than the present system was designed for. To upgrade the tracker to required performance level, extensive measurements and simulations studies have already been carried out. A defect model of Synopsys Sentaurus TCAD simulation package for the bulk properties of proton irradiated devices has been producing simulations closely matching with measurements of silicon strip detectors. However, the model does not provide expected behavior due to the fluence increased surface damage. The solution requires an approach that does not affect the accurate bulk properties produced by the proton model, but only adds to it the required radiation induced properties close to the surface. These include the observed position dependency of the strip detector's charge collec...

  11. Electrochemical deposition on surface nanometric defects: Thermodynamics and grand canonical Monte Carlo simulations

    International Nuclear Information System (INIS)

    Luque, Noelia B.; Reinaudi, Luis; Serra, Pablo; Leiva, Ezequiel P.M.

    2009-01-01

    A thermodynamic analysis is performed on electrochemical metal deposition in the cavity of a foreign substrate. In particular, the deposition of Cu and Ag in nanometer-sized holes on Au(1 1 1) is studied by means of off-lattice atomistic Grand Canonical Monte Carlo simulations, using embedded atom method potentials. The present simulation conditions emulate experiments of electrochemical metal deposition in nanocavities, as performed in the literature. Depending on the system, remarkable differences are found in the way in which the defects are decorated, as well as in their energetics. When the interaction of the adsorbate atoms with the substrate is less favorable than the bulk interaction of the adsorbate, clusters are found that grow stepwise over the level of the surface. In the opposite case, the filling of the cavity occurs stepwise, without the occurrence of cluster growth above the surface level. The results of the simulations present a good qualitative agreement with experimental results from the literature

  12. Effect of the surface charge discretization on electric double layers: a Monte Carlo simulation study.

    Science.gov (United States)

    Madurga, Sergio; Martín-Molina, Alberto; Vilaseca, Eudald; Mas, Francesc; Quesada-Pérez, Manuel

    2007-06-21

    The structure of the electric double layer in contact with discrete and continuously charged planar surfaces is studied within the framework of the primitive model through Monte Carlo simulations. Three different discretization models are considered together with the case of uniform distribution. The effect of discreteness is analyzed in terms of charge density profiles. For point surface groups, a complete equivalence with the situation of uniformly distributed charge is found if profiles are exclusively analyzed as a function of the distance to the charged surface. However, some differences are observed moving parallel to the surface. Significant discrepancies with approaches that do not account for discreteness are reported if charge sites of finite size placed on the surface are considered.

  13. Simulating the Effect of Modulated Tool-Path Chip Breaking On Surface Texture and Chip Length

    Energy Technology Data Exchange (ETDEWEB)

    Smith, K.S.; McFarland, J.T.; Tursky, D. A.; Assaid, T. S.; Barkman, W. E.; Babelay, Jr., E. F.

    2010-04-30

    One method for creating broken chips in turning processes involves oscillating the cutting tool in the feed direction utilizing the CNC machine axes. The University of North Carolina at Charlotte and the Y-12 National Security Complex have developed and are refining a method to reliably control surface finish and chip length based on a particular machine's dynamic performance. Using computer simulations it is possible to combine the motion of the machine axes with the geometry of the cutting tool to predict the surface characteristics and map the surface texture for a wide range of oscillation parameters. These data allow the selection of oscillation parameters to simultaneously ensure broken chips and acceptable surface characteristics. This paper describes the machine dynamic testing and characterization activities as well as the computational method used for evaluating and predicting chip length and surface texture.

  14. Direct numerical simulation of turbulent flows over superhydrophobic surfaces with gas pockets using linearized boundary conditions

    Science.gov (United States)

    Seo, Jongmin; Bose, Sanjeeb; Garcia-Mayoral, Ricardo; Mani, Ali

    2012-11-01

    Superhydrophobic surfaces are shown to be effective for surface drag reduction under laminar regime by both experiments and simulations (see for example, Ou and Rothstein, Phys. Fluids 17:103606, 2005). However, such drag reduction for fully developed turbulent flow maintaining the Cassie-Baxter state remains an open problem due to high shear rates and flow unsteadiness of turbulent boundary layer. Our work aims to develop an understanding of mechanisms leading to interface breaking and loss of gas pockets due to interactions with turbulent boundary layers. We take advantage of direct numerical simulation of turbulence with slip and no-slip patterned boundary conditions mimicking the superhydrophobic surface. In addition, we capture the dynamics of gas-water interface, by deriving a proper linearized boundary condition taking into account the surface tension of the interface and kinematic matching of interface deformation and normal velocity conditions on the wall. We will show results from our simulations predicting the dynamical behavior of gas pocket interfaces over a wide range of dimensionless surface tensions. Supported by the Office of Naval Research and the Kwanjeong Educational Scholarship Foundation.

  15. An algorithm for three-dimensional Monte-Carlo simulation of charge distribution at biofunctionalized surfaces

    KAUST Repository

    Bulyha, Alena

    2011-01-01

    In this work, a Monte-Carlo algorithm in the constant-voltage ensemble for the calculation of 3d charge concentrations at charged surfaces functionalized with biomolecules is presented. The motivation for this work is the theoretical understanding of biofunctionalized surfaces in nanowire field-effect biosensors (BioFETs). This work provides the simulation capability for the boundary layer that is crucial in the detection mechanism of these sensors; slight changes in the charge concentration in the boundary layer upon binding of analyte molecules modulate the conductance of nanowire transducers. The simulation of biofunctionalized surfaces poses special requirements on the Monte-Carlo simulations and these are addressed by the algorithm. The constant-voltage ensemble enables us to include the right boundary conditions; the dna strands can be rotated with respect to the surface; and several molecules can be placed in a single simulation box to achieve good statistics in the case of low ionic concentrations relevant in experiments. Simulation results are presented for the leading example of surfaces functionalized with pna and with single- and double-stranded dna in a sodium-chloride electrolyte. These quantitative results make it possible to quantify the screening of the biomolecule charge due to the counter-ions around the biomolecules and the electrical double layer. The resulting concentration profiles show a three-layer structure and non-trivial interactions between the electric double layer and the counter-ions. The numerical results are also important as a reference for the development of simpler screening models. © 2011 The Royal Society of Chemistry.

  16. Numerical simulation of binary collisions using a modified surface tension model with particle method

    International Nuclear Information System (INIS)

    Sun Zhongguo; Xi Guang; Chen Xi

    2009-01-01

    The binary collision of liquid droplets is of both practical importance and fundamental value in computational fluid mechanics. We present a modified surface tension model within the moving particle semi-implicit (MPS) method, and carry out two-dimensional simulations to investigate the mechanisms of coalescence and separation of the droplets during binary collision. The modified surface tension model improves accuracy and convergence. A mechanism map is established for various possible deformation pathways encountered during binary collision, as the impact speed is varied; a new pathway is reported when the collision speed is critical. In addition, eccentric collisions are simulated and the effect of the rotation of coalesced particle is explored. The results qualitatively agree with experiments and the numerical protocol may find applications in studying free surface flows and interface deformation

  17. A Numerical Simulation for Prediction of Infrared Radiation Emitted from Plain Surfaces with Different Geometries

    Directory of Open Access Journals (Sweden)

    Vakilabadi K.A.

    2017-08-01

    Full Text Available In this paper, infrared radiation exiting plain surfaces with different geometries is numerically simulated. Surfaces under consideration are assumed to have steady uniform heat generation inside. Moreover, the boundaries of the surfaces are considered to be at the surroundings temperature. Infrared radiation is calculated based on the temperature profile determined for the surface. The temperature profile of the surface is determined assuming the two dimensional heat conduction equations to govern the problem. The physical domain is transformed into the appropriate computational domain and the governing equation is mapped into the suitable forms in the new coordinate system of variables. After that the temperature profile of the surface is computed, the infrared radiation distribution of the surface is evaluated based on the equations given in the manuscript. The temperature profile as well as the IR images are given in the results section. It is concluded that the maximum value of infrared radiation of the surface occurs at the center. Moreover, it is concluded that among surfaces with equal areas, the one having the largest perimeter has the least value of IR at its center.

  18. Modifying a dynamic global vegetation model for simulating large spatial scale land surface water balances

    Directory of Open Access Journals (Sweden)

    G. Tang

    2012-08-01

    Full Text Available Satellite-based data, such as vegetation type and fractional vegetation cover, are widely used in hydrologic models to prescribe the vegetation state in a study region. Dynamic global vegetation models (DGVM simulate land surface hydrology. Incorporation of satellite-based data into a DGVM may enhance a model's ability to simulate land surface hydrology by reducing the task of model parameterization and providing distributed information on land characteristics. The objectives of this study are to (i modify a DGVM for simulating land surface water balances; (ii evaluate the modified model in simulating actual evapotranspiration (ET, soil moisture, and surface runoff at regional or watershed scales; and (iii gain insight into the ability of both the original and modified model to simulate large spatial scale land surface hydrology. To achieve these objectives, we introduce the "LPJ-hydrology" (LH model which incorporates satellite-based data into the Lund-Potsdam-Jena (LPJ DGVM. To evaluate the model we ran LH using historical (1981–2006 climate data and satellite-based land covers at 2.5 arc-min grid cells for the conterminous US and for the entire world using coarser climate and land cover data. We evaluated the simulated ET, soil moisture, and surface runoff using a set of observed or simulated data at different spatial scales. Our results demonstrate that spatial patterns of LH-simulated annual ET and surface runoff are in accordance with previously published data for the US; LH-modeled monthly stream flow for 12 major rivers in the US was consistent with observed values respectively during the years 1981–2006 (R2 > 0.46, p < 0.01; Nash-Sutcliffe Coefficient > 0.52. The modeled mean annual discharges for 10 major rivers worldwide also agreed well (differences < 15% with observed values for these rivers. Compared to a degree-day method for snowmelt computation, the addition of the solar radiation effect on snowmelt

  19. Patterned gradient surface for spontaneous droplet transportation and water collection: simulation and experiment

    International Nuclear Information System (INIS)

    Tan, Xianhua; Zhu, Yiying; Shi, Tielin; Tang, Zirong; Liao, Guanglan

    2016-01-01

    We demonstrate spontaneous droplet transportation and water collection on wedge-shaped gradient surfaces consisting of alternating hydrophilic and hydrophobic regions. Droplets on the surfaces are modeled and simulated to analyze the Gibbs free energy and free energy gradient distributions. Big half-apex angle and great wettability difference result in considerable free energy gradient, corresponding to large driving force for spontaneous droplet transportation, thus causing the droplets to move towards the open end of the wedge-shaped hydrophilic regions, where the Gibbs free energy is low. Gradient surfaces are then fabricated and tested. Filmwise condensation begins on the hydrophilic regions, forming wedge-shaped tracks for water collection. Dropwise condensation occurs on the hydrophobic regions, where the droplet size distribution and departure diameters are controlled by the width of the regions. Condensate water from both the hydrophilic and hydrophobic regions are collected directionally to the open end of the wedge-shaped hydrophilic regions, agreeing with the simulations. Directional droplet transport and controllable departure diameters make the branched gradient surfaces more efficient than smooth surfaces for water collection, which proves that gradient surfaces are potential in water collection, microfluidic devices, anti-fogging and self-cleaning. (paper)

  20. Durability of simulated waste glass: effects of pressure and formation of surface layers

    International Nuclear Information System (INIS)

    Wicks, G.G.; Mosley, W.C.; Whitkop, P.G.; Saturday, K.A.

    1981-01-01

    The leaching behavior of simulated Savannah River Plant (SRP) waste glass was studied at elevated pressures and anticipated storage temperatures. An integrated approach, which combined leachate solution analyses with both bulk and surface studies, was used to study the corrosion process. Compositions of leachates were evaluated by colorimetry and atomic absorption. Used in the bulk and surface analyses were optical microscopy, scanning electron microscopy, x-ray energy spectroscopy, wide-angle x-ray, diffraction, electron microprobe analysis, infrared reflectance spectroscopy, electron spectroscopy for chemical analysis, and Auger electron spectroscopy. Results from this study show that there is no significant adverse effect of pressure, up to 1500 psi and 90 0 C, on the chemical durability of simulated SPR waste glass leached for one month in deionized water. In addition, the leached glass surface layer was characterized by an adsorbed film rich in minor constituents from the glass. This film remained on the glass surface even after leaching in relatively alkaline solutions at elevated pressures at 90 0 C for one month. The sample surface area to volume of leachant ratios (SA/V) was 10:1 cm -1 and 1:10 cm -1 . The corrosion mechanisms and surface and subsurface layers produced will be discussed along with the potential importance of these results to repository storage

  1. Measurements of Deposition, Lung Surface Area and Lung Fluid for Simulation of Inhaled Compounds.

    Science.gov (United States)

    Fröhlich, Eleonore; Mercuri, Annalisa; Wu, Shengqian; Salar-Behzadi, Sharareh

    2016-01-01

    Modern strategies in drug development employ in silico techniques in the design of compounds as well as estimations of pharmacokinetics, pharmacodynamics and toxicity parameters. The quality of the results depends on software algorithm, data library and input data. Compared to simulations of absorption, distribution, metabolism, excretion, and toxicity of oral drug compounds, relatively few studies report predictions of pharmacokinetics and pharmacodynamics of inhaled substances. For calculation of the drug concentration at the absorption site, the pulmonary epithelium, physiological parameters such as lung surface and distribution volume (lung lining fluid) have to be known. These parameters can only be determined by invasive techniques and by postmortem studies. Very different values have been reported in the literature. This review addresses the state of software programs for simulation of orally inhaled substances and focuses on problems in the determination of particle deposition, lung surface and of lung lining fluid. The different surface areas for deposition and for drug absorption are difficult to include directly into the simulations. As drug levels are influenced by multiple parameters the role of single parameters in the simulations cannot be identified easily.

  2. Numerical Simulation of Turbulent Half-corrugated Channel Flow by Hydrophilic and Hydrophobic Surfaces

    Directory of Open Access Journals (Sweden)

    M. R. Rastan

    2018-03-01

    Full Text Available In the first part of the present study, a two dimensional half-corrugated channel flow is simulated at Reynolds number of 104, in no-slip condition (hydrophilic surfaces( using various low Reynolds turbulence models as well as standard k-ε model; and an appropriate turbulence model (k-ω 1998 model( is proposed. Then, in order to evaluate the proposed solution method in simulation of flow adjacent to hydrophobic surfaces, turbulent flow is simulated in simple channel and the results are compared with the literature. Finally, two dimensional half-corrugated channel flow at Reynolds number of 104 is simulated again in vicinity of hydrophobic surfaces for varoius slip lengths. The results show that this method is capable of drag reduction in such a way that an increase of 200 μm in slip length leads to a massive drag reduction up to 38%. In addition, to access a significant drag reduction in turbulent flows, the non-dimensionalized slip length should be larger than the minimum.

  3. Ion beam processing of surfaces and interfaces. Modeling and atomistic simulations

    International Nuclear Information System (INIS)

    Liedke, Bartosz

    2011-01-01

    Self-organization of regular surface pattern under ion beam erosion was described in detail by Navez in 1962. Several years later in 1986 Bradley and Harper (BH) published the first self-consistent theory on this phenomenon based on the competition of surface roughening described by Sigmund's sputter theory and surface smoothing by Mullins-Herring diffusion. Many papers that followed BH theory introduced other processes responsible for the surface patterning e.g. viscous flow, redeposition, phase separation, preferential sputtering, etc. The present understanding is still not sufficient to specify the dominant driving forces responsible for self-organization. 3D atomistic simulations can improve the understanding by reproducing the pattern formation with the detailed microscopic description of the driving forces. 2D simulations published so far can contribute to this understanding only partially. A novel program package for 3D atomistic simulations called TRIDER (TRansport of Ions in matter with DEfect Relaxation), which unifies full collision cascade simulation with atomistic relaxation processes, has been developed. The collision cascades are provided by simulations based on the Binary Collision Approximation, and the relaxation processes are simulated with the 3D lattice kinetic Monte-Carlo method. This allows, without any phenomenological model, a full 3D atomistic description on experimental spatiotemporal scales. Recently discussed new mechanisms of surface patterning like ballistic mass drift or the dependence of the local morphology on sputtering yield are inherently included in our atomistic approach. The atomistic 3D simulations do not depend so much on experimental assumptions like reported 2D simulations or continuum theories. The 3D computer experiments can even be considered as 'cleanest' possible experiments for checking continuum theories. This work aims mainly at the methodology of a novel atomistic approach, showing that: (i) In general

  4. Ion beam processing of surfaces and interfaces. Modeling and atomistic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Liedke, Bartosz

    2011-03-24

    Self-organization of regular surface pattern under ion beam erosion was described in detail by Navez in 1962. Several years later in 1986 Bradley and Harper (BH) published the first self-consistent theory on this phenomenon based on the competition of surface roughening described by Sigmund's sputter theory and surface smoothing by Mullins-Herring diffusion. Many papers that followed BH theory introduced other processes responsible for the surface patterning e.g. viscous flow, redeposition, phase separation, preferential sputtering, etc. The present understanding is still not sufficient to specify the dominant driving forces responsible for self-organization. 3D atomistic simulations can improve the understanding by reproducing the pattern formation with the detailed microscopic description of the driving forces. 2D simulations published so far can contribute to this understanding only partially. A novel program package for 3D atomistic simulations called TRIDER (TRansport of Ions in matter with DEfect Relaxation), which unifies full collision cascade simulation with atomistic relaxation processes, has been developed. The collision cascades are provided by simulations based on the Binary Collision Approximation, and the relaxation processes are simulated with the 3D lattice kinetic Monte-Carlo method. This allows, without any phenomenological model, a full 3D atomistic description on experimental spatiotemporal scales. Recently discussed new mechanisms of surface patterning like ballistic mass drift or the dependence of the local morphology on sputtering yield are inherently included in our atomistic approach. The atomistic 3D simulations do not depend so much on experimental assumptions like reported 2D simulations or continuum theories. The 3D computer experiments can even be considered as 'cleanest' possible experiments for checking continuum theories. This work aims mainly at the methodology of a novel atomistic approach, showing that: (i) In

  5. Surface Roughness of Composite Resins after Simulated Toothbrushing with Different Dentifrices.

    Science.gov (United States)

    Monteiro, Bruna; Spohr, Ana Maria

    2015-07-01

    The aim of the study was to evaluate, in vitro, the surface roughness of two composite resins submitted to simulated toothbrushing with three different dentifrices. Totally, 36 samples of Z350XT and 36 samples of Empress Direct were built and randomly divided into three groups (n = 12) according to the dentifrice used (Oral-B Pro-Health Whitening [OBW], Colgate Sensitive Pro-Relief [CS], Colgate Total Clean Mint 12 [CT12]). The samples were submitted to 5,000, 10,000 or 20,000 cycles of simulated toothbrushing. After each simulated period, the surface roughness of the samples was measured using a roughness tester. According to three-way analysis of variance, dentifrice (P = 0.044) and brushing time (P = 0.000) were significant. The composite resin was not significant (P = 0.381) and the interaction among the factors was not significant (P > 0.05). The mean values of the surface roughness (µm) followed by the same letter represent no statistical difference by Tukey's post-hoc test (P composite resins. The dentifrice OBW caused a higher surface roughness in both composite resins.

  6. Molecular simulation insights on the in vacuo adsorption of amino acids on graphene oxide surfaces with varying surface oxygen densities

    Energy Technology Data Exchange (ETDEWEB)

    Rahmani, Farzin; Nouranian, Sasan, E-mail: sasan@olemiss.edu; Mahdavi, Mina [University of Mississippi, Department of Chemical Engineering (United States); Al-Ostaz, Ahmed [University of Mississippi, Department of Civil Engineering (United States)

    2016-11-15

    In this fundamental study, a series of molecular dynamics simulations were performed in vacuo to investigate the energetics and select geometries of 20 standard amino acids (AAs) on pristine graphene (PG) and graphene oxide (GO) surfaces as a function of graphene surface oxygen density. These interactions are of key interest to graphene/biomolecular systems. Our results indicate that aromatic AAs exhibit the strongest total interactions with the PG surfaces due to π-π stacking. Tryptophan (Trp) has the highest aromaticity due to its indole side chain and, hence, has the strongest interaction among all AAs (−16.66 kcal/mol). Aliphatic, polar, and charged AAs show various levels of affinity to the PG sheets depending on the strength of their side chain hydrophobic interactions. For example, arginine (Arg) with its guanidinium side chain exhibits the strongest interaction with the PG sheets (−13.81 kcal/mol) following aromatic AAs. Also, glycine (Gly; a polar AA) has the weakest interaction with the PG sheets (−7.29 kcal/mol). When oxygen-containing functional groups are added to the graphene sheets, the π-π stacking in aromatic AAs becomes disrupted and perfect parallelism of the aromatic rings is lost. Moreover, hydrogen bonding and/or electrostatic interactions become more pronounced. Charged AAs exhibit the strongest interactions with the GO surfaces. In general, the AA-GO interactions increase with increasing surface oxygen density, and the effect is more pronounced at higher O/C ratios. This study provides a quantitative measure of AA-graphene interactions for the design and tuning of biomolecular systems suitable for biosensing, drug delivery, and gene delivery applications.

  7. Eco-hydrological process simulations within an integrated surface water-groundwater model

    DEFF Research Database (Denmark)

    Butts, Michael; Loinaz, Maria Christina; Bauer-Gottwein, Peter

    2014-01-01

    Integrated water resources management requires tools that can quantify changes in groundwater, surface water, water quality and ecosystem health, as a result of changes in catchment management. To address these requirements we have developed an integrated eco-hydrological modelling framework...... that allows hydrologists and ecologists to represent the complex and dynamic interactions occurring between surface water, ground water, water quality and freshwater ecosystems within a catchment. We demonstrate here the practical application of this tool to two case studies where the interaction of surface...... water and ground water are important for the ecosystem. In the first, simulations are performed to understand the importance of surface water-groundwater interactions for a restored riparian wetland on the Odense River in Denmark as part of a larger investigation of water quality and nitrate retention...

  8. Simulation of flame surface density and burning rate of a premixed turbulent flame using contour advection

    Energy Technology Data Exchange (ETDEWEB)

    Tang, B.H.Y.; Chan, C.K. [Department of Applied Mathematics, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong)

    2006-10-15

    In this paper, a 2-dimensional rod-stabilized V-shaped flame is simulated using contour advection with surgery as well as the random vortex method. Effects of turbulence on various quantities, such as flame brush thickness and flame surface density, are investigated. The flame surface density S is estimated using the Bray-Moss-Libby formulation, which involves the use of a mean orientation factor {sigma}{sub c}. As a comparison, values of S are also obtained using Shepherd's model, which employs the values of mean flame surface area and mean flame length. Local flame structure is characterized in terms of turbulent flame brush, orientation factor, and flame surface density. Profiles of S obtained using the two different models are compared and show that discrepancy is more evident with increasing turbulence intensity. (author)

  9. Nonequilibrium Molecular Simulations of New Ionic Lubricants at Metallic Surfaces: Prediction of the Friction.

    Science.gov (United States)

    Mendonça, Ana C F; Pádua, Agílio A H; Malfreyt, Patrice

    2013-03-12

    We report nonequilibrium molecular dynamics of ionic liquids interacting with metallic surfaces. A specific set of interaction parameters for ionic liquids composed of alkylammonium cations and alkylsulfonate anions with an iron surface, which has been previously developed (J. Chem. Theory Comput.2012, 8, 3348) is used here. We develop a procedure for a quantitative prediction of the friction coefficient at different loads and shear rates. The simulated friction coefficient agrees very well with the available experimental ones. The dependence of friction on the load, shear velocity, surface topology, and length of alkyl side chains in the ionic liquid is also investigated. The changes in the frictional forces are explained in terms of the specific arrangements and orientations of groups forming the ionic liquid at the vicinity of the surface.

  10. Numerical simulation of liquid film flow on revolution surfaces with momentum integral method

    International Nuclear Information System (INIS)

    Bottoni Maurizio

    2005-01-01

    The momentum integral method is applied in the frame of safety analysis of pressure water reactors under hypothetical loss of coolant accident (LOCA) conditions to simulate numerically film condensation, rewetting and vaporization on the inner surface of pressure water reactor containment. From the conservation equations of mass and momentum of a liquid film arising from condensation of steam upon the inner of the containment during a LOCA in a pressure water reactor plant, an integro-differential equation is derived, referring to an arbitrary axisymmetric surface of revolution. This equation describes the velocity distribution of the liquid film along a meridian of a surface of revolution. From the integro-differential equation and ordinary differential equation of first order for the film velocity is derived and integrated numerically. From the velocity distribution the film thickness distribution is obtained. The solution of the enthalpy equation for the liquid film yields the temperature distribution on the inner surface of the containment. (authors)

  11. Pulsed melting of silicon (111) and (100) surfaces simulated by molecular dynamics

    International Nuclear Information System (INIS)

    Abraham, F.F.; Broughton, J.Q.

    1986-01-01

    The pulsed heating of Si (100) and (111) surfaces has been simulated by molecular dynamics. The (111) crystal-melt interface propagates by layer-by-layer growth whereas the (100) interface grows in a continuous fashion. The equilibrium crystal-melt interface is sharp for the (111) orientation and broad for the (100) orientation. These simulations are the first use of nonpairwise potentials to study interfaces between condensed phases, and the results support models of interfaces which heretofore had to be deduced from indirect experimental information

  12. Theory and Monte-Carlo simulation of adsorbates on corrugated surfaces

    DEFF Research Database (Denmark)

    Vives, E.; Lindgård, P.-A.

    1993-01-01

    -phase between the commensurate and incommensurate phase stabilized by defects. Special attention has been given to the study of the epitaxial rotation angles of the different phases. Available experimental data is in agreement with the simulations and with a general theory for the epitaxial rotation which takes......Phase transitions in systems of adsorbed molecules on corrugated surfaces are studied by means of Monte Carlo simulation. Particularly, we have studied the phase diagram of D2 on graphite as a function of coverage and temperature. We have demonstrated the existence of an intermediate gamma...

  13. Novel types of surface acoustic wave microreflectors - Performance analysis and simulations

    Science.gov (United States)

    Golan, G.; Griffel, G.; Seidman, A.; Croitoru, N.

    1990-06-01

    Surface acoustic waves for micrograting reflectors have been characterized. Based on the perturbation theory, eight different types of structures on an acoustic waveguide were analyzed. Results of simulations of all eight types of corrugation structures were evaluated in order to find the least leaky waveguide, the most efficient reflector (with minimum necessary perturbations), and the optimal mode shape for improved performances. General design curves are presented in order to illustrate the behavior of the incident and reflected waves under a variety of structural conditions. Analytic expressions for the calculations of the mode amplitude and mode shape, and for general acoustic corrugations are derived and then the simulations results are presented.

  14. Simulation of self-assembled nanopatterns in binary alloys on the fcc(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Sebastian

    2008-07-01

    In this PhD thesis, we study the heteroepitaxial crystal growth by means of Monte Carlo simulations. Of particular interest in this work is the influence of the lattice mismatch of the adsorbates relative to the substrate on surface structures. In the framework of an off-lattice model, we consider one monolayer of adsorbate and investigate the emerging nanopatterns in equilibrium and their formation during growth. In chapter 1, a brief introduction is given, which describes the role of computer simulations in the field of the physics of condensed matter. Chapter 2 is devoted to some technical basics of experimental methods of molecular beam epitaxy and the theoretical description. Before a model for the simulation can be designed, it is necessary to make some considerations of the single processes which occur during epitaxial growth. For that purpose we look at an experimental setup and extract the main microscopic processes. Afterwards a brief overview of different theoretical concepts describing that physical procedures is given. In chapter 3, the model used in the simulations is presented. The aim is to investigate the growth of an fcc crystal in the [111] direction. In order to keep the simulation times within a feasible limit a simple pair potential, the Lennard-Jones potential, with continuous particle positions is used, which are necessary to describe effects resulting from the atomic mismatch in the crystal. Furthermore the detailed algorithm is introduced which is based on the idea to calculate the barrier of each diffusion event and to use the barriers in a rejection-free method. Chapter 4 is attended to the simulation of equilibrium. The influence of different parameters on the emerging structures in the first monolayer upon the surface, which is completely covered with two adsorbate materials, is studied. Especially the competition between binding energy and strain leads to very interesting pattern formations like islands or stripes. In chapter 5 the

  15. Monte Carlo and molecular dynamics simulations of near-surface phenomena. Quarterly report 3. quarter 1987

    International Nuclear Information System (INIS)

    Valkealahti, Seppo.

    1987-10-01

    Monte Carlo simulation is used to investigate positron and electron slowing down in solid matter. The description of elastic scattering is based on accurate cross sections of effective crystalline atom potentials. Inelastic processes are described separately for each energby level y Gryzinski's excitation function. Various materials are studied and several electron and positron slowing down parameters and distributions are extracted. The results are used to analyze and interprete a number of recent experiments utilizing keV electron and positron beams. Molecular dynamics simulation methods are used to study (i) damage production in aluminum (110) surfaces due to low-energy argon ion bombardment and (ii) the premelting effects of solid noble gas surfaces. Appropriately constructed pair potentials were assigned between the particles and an electronic friction term proportional to the velocity was used for energetic ions. Of particular interest in (i) are the defect and implanted atom distributions, which are compared against recent experiments. In (ii) the simulations show the equilibrium existence of liquid-like layers on the densely packed surfaces well below the bulk melting temperature. In (i) the mean vacancy concentration depth depends only slightly on the incident angle. The total number of vacancies is almost independent of the incident ion dose for very oblique angles of incidence (0>45 deg C). Vancancy profile is found to have a clear peak in the topmost atomic layers and a broader tail deep in the material. The interstitial and Ar + ion profiles are clearly deeper in the material than the vacancy profile. In (ii), a layer-by-layer premelting of Lennard-Jones (111) surfaces is observed. Also the (100) surfaces premelt, but the disordering mechanism for the loosely packed (110) surfaces is roughening. Furthermore, a general rule seems to be that melting proceeds along the directions of high packing densities

  16. Recycling inflow method for simulations of spatially evolving turbulent boundary layers over rough surfaces

    Science.gov (United States)

    Yang, Xiang I. A.; Meneveau, Charles

    2016-01-01

    The technique by Lund et al. to generate turbulent inflow for simulations of developing boundary layers over smooth flat plates is extended to the case of surfaces with roughness elements. In the Lund et al. method, turbulent velocities on a sampling plane are rescaled and recycled back to the inlet as inflow boundary condition. To rescale mean and fluctuating velocities, appropriate length scales need be identified and for smooth surfaces, the viscous scale lν = ν/uτ (where ν is the kinematic viscosity and uτ is the friction velocity) is employed for the inner layer. Different from smooth surfaces, in rough wall boundary layers the length scale of the inner layer, i.e. the roughness sub-layer scale ld, must be determined by the geometric details of the surface roughness elements and the flow around them. In the proposed approach, it is determined by diagnosing dispersive stresses that quantify the spatial inhomogeneity caused by the roughness elements in the flow. The scale ld is used for rescaling in the inner layer, and the boundary layer thickness δ is used in the outer region. Both parts are then combined for recycling using a blending function. Unlike the blending function proposed by Lund et al. which transitions from the inner layer to the outer layer at approximately 0.2δ, here the location of blending is shifted upwards to enable simulations of very rough surfaces in which the roughness length may exceed the height of 0.2δ assumed in the traditional method. The extended rescaling-recycling method is tested in large eddy simulation of flow over surfaces with various types of roughness element shapes.

  17. Summer U.S. Surface Air Temperature Variability: Controlling Factors and AMIP Simulation Biases

    Science.gov (United States)

    Merrifield, A.; Xie, S. P.

    2016-02-01

    This study documents and investigates biases in simulating summer surface air temperature (SAT) variability over the continental U.S. in the Coupled Model Intercomparison Project (CMIP5) Atmospheric Model Intercomparison Project (AMIP). Empirical orthogonal function (EOF) and multivariate regression analyses are used to assess the relative importance of circulation and the land surface feedback at setting summer SAT over a 30-year period (1979-2008). In observations, regions of high SAT variability are closely associated with midtropospheric highs and subsidence, consistent with adiabatic theory (Meehl and Tebaldi 2004, Lau and Nath 2012). Preliminary analysis shows the majority of the AMIP models feature high SAT variability over the central U.S., displaced south and/or west of observed centers of action (COAs). SAT COAs in models tend to be concomitant with regions of high sensible heat flux variability, suggesting an excessive land surface feedback in these models modulate U.S. summer SAT. Additionally, tropical sea surface temperatures (SSTs) play a role in forcing the leading EOF mode for summer SAT, in concert with internal atmospheric variability. There is evidence that models respond to different SST patterns than observed. Addressing issues with the bulk land surface feedback and the SST-forced component of atmospheric variability may be key to improving model skill in simulating summer SAT variability over the U.S.

  18. Numerical simulation of cavitation flow characteristic on Pelton turbine bucket surface

    Science.gov (United States)

    Zeng, C. J.; Xiao, Y. X.; Zhu, W.; Yao, Y. Y.; Wang, Z. W.

    2015-01-01

    The internal flow in the rotating bucket of Pelton turbine is free water sheet flow with moving boundary. The runner operates under atmospheric and the cavitation in the bucket is still a controversial problem. While more and more field practice proved that there exists cavitation in the Pelton turbine bucket and the cavitation erosion may occur at the worst which will damage the bucket. So a well prediction about the cavitation flow on the bucket surface of Pelton turbine and the followed cavitation erosion characteristic can effectively guide the optimization of Pelton runner bucket and the stable operation of unit. This paper will investigate the appropriate numerical model and method for the unsteady 3D water-air-vapour multiphase cavitation flow which may occur on the Pelton bucket surface. The computational domain will include the nozzle pipe flow, semi-free surface jet and runner domain. Via comparing the numerical results of different turbulence, cavity and multiphase models, this paper will determine the suitable numerical model and method for the simulation of cavitation on the Pelton bucket surface. In order to investigate the conditions corresponding to the cavitation phenomena on the bucket surface, this paper will adopt the suitable model to simulate the various operational conditions of different water head and needle travel. Then, the characteristics of cavitation flow the development process of cavitation will be analysed in in great detail.

  19. Numerical simulation of cavitation flow characteristic on Pelton turbine bucket surface

    International Nuclear Information System (INIS)

    Zeng, C J; Xiao, Y X; Zhu, W; Yao, Y Y; Wang, Z W

    2015-01-01

    The internal flow in the rotating bucket of Pelton turbine is free water sheet flow with moving boundary. The runner operates under atmospheric and the cavitation in the bucket is still a controversial problem. While more and more field practice proved that there exists cavitation in the Pelton turbine bucket and the cavitation erosion may occur at the worst which will damage the bucket. So a well prediction about the cavitation flow on the bucket surface of Pelton turbine and the followed cavitation erosion characteristic can effectively guide the optimization of Pelton runner bucket and the stable operation of unit. This paper will investigate the appropriate numerical model and method for the unsteady 3D water-air-vapour multiphase cavitation flow which may occur on the Pelton bucket surface. The computational domain will include the nozzle pipe flow, semi-free surface jet and runner domain. Via comparing the numerical results of different turbulence, cavity and multiphase models, this paper will determine the suitable numerical model and method for the simulation of cavitation on the Pelton bucket surface. In order to investigate the conditions corresponding to the cavitation phenomena on the bucket surface, this paper will adopt the suitable model to simulate the various operational conditions of different water head and needle travel. Then, the characteristics of cavitation flow the development process of cavitation will be analysed in in great detail

  20. Simulations geometric structures of the stepped profile bearing surface of the piston

    Directory of Open Access Journals (Sweden)

    Wroblewski Emil

    2017-01-01

    Full Text Available The main node piston-pin-piston rings are most responsible for the formation of mechanical losses. It is advisable to reduce friction losses in the piston-cylinder group lead to an increase in the overall efficiency of the engine and thus reduce the fuel consumption. The method to reduce the area covered by the oil film is a modification of the bearing surface of the piston by adjusting the profile. In this paper the results of simulation for the stepped microgeometry piston bearing surface are presented.

  1. Free surface simulation of a two-layer fluid by boundary element method

    Directory of Open Access Journals (Sweden)

    Weoncheol Koo

    2010-09-01

    Full Text Available A two-layer fluid with free surface is simulated in the time domain by a two-dimensional potential-based Numerical Wave Tank (NWT. The developed NWT is based on the boundary element method and a leap-frog time integration scheme. A whole domain scheme including interaction terms between two layers is applied to solve the boundary integral equation. The time histories of surface elevations on both fluid layers in the respective wave modes are verified with analytic results. The amplitude ratios of upper to lower elevation for various density ratios and water depths are also compared.

  2. A computer simulation of the surface channeling of MeV heavy charged particles

    International Nuclear Information System (INIS)

    Morita, K.

    1980-01-01

    The surface channeling of 1.5 MeV N + ions incident near the [011] direction on the (100) surface and near the [001] direction on the (110) surface of Ge crystals has been studied using computer simulation. The trajectories of ions incident at angles near the critical angle for axial channeling were traced. The energy spectra, the angular distributions and the reflection-depth distributions of scattered ions were obtained. The calculated energy spectra for both directions are found to be composed of a surface peak and a broad peak, the latter being at the low energy side of the surface peak. The height of the surface peak and the energy position of the broad peak are found to depend on the azimuthal component and the tilt component of the incident angle, respectively. This result is explained to be due to the focusing effect of channeled ions deflected by the atomic rows at the surface. It is shown that the calculated angular distributions of scattered ions form a half-ring pattern and clear dips appear in the scattering intensity curve along the half-ring. The dips are found to be caused by the blocking for scattered ions by the atomic rows arrayed in the major planar directions. (author)

  3. Evolution of atomic-scale surface structures during ion bombardment: A fractal simulation

    International Nuclear Information System (INIS)

    Shaheen, M.A.; Ruzic, D.N.

    1993-01-01

    Surfaces of interest in microelectronics have been shown to exhibit fractal topographies on the atomic scale. A model utilizing self-similar fractals to simulate surface roughness has been added to the ion bombardment code TRIM. The model has successfully predicted experimental sputtering yields of low energy (less then 1000 eV) Ar on Si and D on C using experimentally determined fractal dimensions. Under ion bombardment the fractal surface structures evolve as the atoms in the collision cascade are displaced or sputtered. These atoms have been tracked and the evolution of the surface in steps of one monolayer of flux has been determined. The Ar--Si system has been studied for incidence energies of 100 and 500 eV, and incidence angles of 0 degree, 30 degree, and 60 degree. As expected, normally incident ion bombardment tends to reduce the roughness of the surface, whereas large angle ion bombardment increases the degree of surface roughness. Of particular interest though, the surfaces are still locally self-similar fractals after ion bombardment and a steady state fractal dimension is reached, except at large angles of incidence

  4. Three-dimensional simulations of the surface topography evolution of niobium superconducting radio frequency cavities

    Directory of Open Access Journals (Sweden)

    Rađenović Branislav M.

    2014-01-01

    Full Text Available This paper contains results of the three-dimensional simulations of the surface topography evolution of the niobium superconducting radio frequency cavities during isotropic and anisotropic etching modes. The initial rough surface is determined from the experimental power spectral density. The simulation results based on the level set method reveal that the time dependence of the root mean square roughness obeys Family-Viscek scaling law. The growth exponential factors b are determined for both etching modes. Exponential factor for the isotropic etching is 100 times lower than that for the anisotropic etching mode reviling that the isotropic etching is very useful mechanism of the smoothing. [Projekat Ministarstva nauke Republike Srbije, br. O171037 i br. III45006

  5. Simulation of surface profile formation in oxygen laser cutting of mild steel due to combustion cycles

    Energy Technology Data Exchange (ETDEWEB)

    Ermolaev, G V; Kovalev, O B [Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch of Russian Academy of Sciences, Institutskaya Str 4/1, Novosibirsk, 630090 (Russian Federation)

    2009-09-21

    A physicomathematical model of cyclic iron combustion in an oxygen flow during oxygen laser cutting of metal sheets is developed. The combustion front is set into motion by focused laser radiation and a heterogeneous oxidation reaction in oxygen. The burning rate is limited by oxygen supply from the gas phase towards the metal surface, and the interface motion depends on the local temperature. A 3D numerical simulation predicts wavy structures on the metal surface; their linear sizes depend on the scanning speed of the laser beam, the thickness of the produced liquid oxide film and the parameters of the oxygen jet flow. Simulation results help in understanding the mechanism of striation formation during oxygen gas-laser cutting of mild steel and are in qualitative agreement with experimental findings.

  6. Effect of simulated mastication on the surface roughness of three ceramic systems.

    Science.gov (United States)

    Amer, Rafat; Kürklü, Duygu; Johnston, William

    2015-08-01

    Zirconia complete coverage crowns are being widely used as restorations because of their high strength and improved esthetics. Data are sparse about the change in surface roughness of this ceramic material after repeated mastication cycles of opposing enamel. The purpose of this study was to investigate changes in the surface roughness after being subjected to 3-body wear-opposing human enamel of 3 types of ceramics: dense sintered yttrium-stabilized zirconia (Z); lithium disilicate (L); and a conventional low-fusing feldspathic porcelain (P) treated to impart a rough, smooth, or glazed surface. Twenty-four specimens of each of the Z and L ceramic were sectioned from computer-aided design and computer-aided manufacturing blocks into rectangular plates (15×12×2 mm). Twenty-four specimens of the feldspathic porcelain were formed into disks (12-mm diameter) from powders compressed in a silicone mold. All specimens (n=72) were prepared according to the manufacturers' recommendations. Specimens of each ceramic group were placed into 1 of 3 groups: group R, rough surface finish; group S, smooth surface finish; and group G, glazed surface finish. A total of 72 specimens (9 groups with 8 specimens each) was placed in a 3-body wear simulator, with standardized enamel specimens (n=72) acting as the substrate. The changes in surface roughness of the ceramic specimens were evaluated after 50,000 cycles. Data were analyzed by a repeated measures 3-way ANOVA mixed procedure with the Satterthwaite method for degrees of freedom and maximum likelihood estimation of the covariance parameters (α=.05). Data showed that the PS group exhibited the largest change in surface roughness, becoming significantly rougher (P<.004). The LR group became significantly smoother (P=.012). The surfaces of monolithic zirconia ceramic and lithium disilicate did not become as rough as the surface of conventional feldspathic porcelain after enamel wear. Copyright © 2015 Editorial Council for the

  7. MD simulation: determination of the physical properties and surface vaporization analysis of beryllium armours

    International Nuclear Information System (INIS)

    Prinzio, M. Di; Aquaro, D.

    2006-01-01

    The erosion of the divertor and of the first wall determined on the base of the anticipated operating conditions, is a critical issue that could affect the performance and the operating schedule of the nuclear fusion reactor ITER. This paper deals with the analysis of beryllium thermal properties by means of MD simulations, in order to better predict thermal behaviour of beryllium armoured PFCs in fusion devices. The importance of this analysis is clearly connected to thermal response evaluation of PFCs to high heat flux exposure, during off-normal events and Edge Localized Modes. The ensuing strong over-heating, in fact, produces material ablation through vaporization of surface material layers and possible loss of melting material. The overall PFCs erosion has bearings on plasma contamination, due to eroded material transport, and components lifetime, due to armour thickness reduction. An important feature of beryllium is its high vapour pressure. During thermal transients the strong vaporization keeps surface temperature relatively low but eroded thickness results high as well. Small changes in beryllium vapour pressure produce not negligible differences in thermal analyses results. On the basis of available force fields, classical Molecular Dynamics simulations have been carried out in order to better understand surface vaporization in tokamak conditions and to evaluate the effect of beryllium oxides formation. This effect has been successfully modelled by MD simulation, carried out with Moldy code. Morse stretching and bending potential for Be-O bond simulation have been used, and partial charges method, accounting for molecular polarity, has been employed. Since during short thermal transients, such as ELMs, only a few microns of Be armour will be overheated and reach melting threshold, the effective thermal conductivity is very important in determining the temperature evolution of surface layers and the ensuing erosion. Thermal conductivity can be evaluated

  8. Simulating measures of wood density through the surface by Compton scattering

    International Nuclear Information System (INIS)

    Penna, Rodrigo; Oliveira, Arno H.; Braga, Mario R.M.S.S.; Vasconcelos, Danilo C.; Carneiro, Clemente J.G.; Penna, Ariane G.C.

    2009-01-01

    Monte Carlo code (MCNP-4C) was used to simulate a nuclear densimeter for measuring wood densities nondestructively. An Americium source (E = 60 keV) and a NaI (Tl) detector were placed on a wood block surface. Results from MCNP shown that scattered photon fluxes may be used to determining wood densities. Linear regressions between scattered photons fluxes and wood density were calculated and shown correlation coefficients near unity. (author)

  9. Simulation of RBS spectra with known 3D sample surface roughness

    Czech Academy of Sciences Publication Activity Database

    Malinský, Petr; Siegel, J.; Hnatowicz, Vladimír; Macková, Anna; Švorčík, V.

    2017-01-01

    Roč. 406, SEP (2017), s. 99-103 ISSN 0168-583X R&D Projects: GA MŠk LM2015056; GA ČR(CZ) GBP108/12/G108 Institutional support: RVO:61389005 Keywords : computer simulation * surface roughness * AFM Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders OBOR OECD: Nuclear physics Impact factor: 1.109, year: 2016

  10. Measurements and TCAD Simulations of Bulk and Surface Radiation Damage Effects

    CERN Document Server

    F. Moscatelli; G. M. Bilei; A. Morozzi; G.-F. Dalla Betta; R. Mendicino; M. Boscardin; N. Zorzi; L. Servoli; P. Maccagnani

    2016-01-01

    In this work we propose the application of a radiation damage model based on the introduction of deep level traps/recombination centers suitable for device level numerical simulation of radiation detectors at very high fluences (e.g. 1÷2×1016 1-MeV equivalent neutrons per square centimeter) combined with a surface damage model developed by using experimental parameters extracted from measurements from gamma irradiated p-type dedicated test structures.

  11. Surface roughness effect on ultracold neutron interaction with a wall and implications for computer simulations

    OpenAIRE

    Steyerl, A.; Malik, S. S.; Desai, A. M.; Kaufman, C.

    2009-01-01

    We review the diffuse scattering and the loss coefficient in ultracold neutron reflection from slightly rough surfaces, report a surprising reduction in loss coefficient due to roughness, and discuss the possibility of transition from quantum treatment to ray optics. The results are used in a computer simulation of neutron storage in a recent neutron lifetime experiment that re-ported a large discrepancy of neutron lifetime with the current particle data value. Our partial re-analysis suggest...

  12. Using an In-Class Simulation in the First Accounting Class: Moving from Surface to Deep Learning

    Science.gov (United States)

    Phillips, Mary E.; Graeff, Timothy R.

    2014-01-01

    As students often find the first accounting class to be abstract and difficult to understand, the authors designed an in-class simulation as an intervention to move students toward deep learning and away from surface learning. The simulation consists of buying and selling merchandise and accounting for transactions. The simulation is an effective…

  13. Modeling Replenishment of Ultrathin Liquid Perfluoro polyether Z Films on Solid Surfaces Using Monte Carlo Simulation

    International Nuclear Information System (INIS)

    Mayeed, M.S.; Kato, T.

    2014-01-01

    Applying the reptation algorithm to a simplified perfluoro polyether Z off-lattice polymer model an NVT Monte Carlo simulation has been performed. Bulk condition has been simulated first to compare the average radius of gyration with the bulk experimental results. Then the model is tested for its ability to describe dynamics. After this, it is applied to observe the replenishment of nano scale ultrathin liquid films on solid flat carbon surfaces. The replenishment rate for trenches of different widths (8, 12, and 16 nms for several molecular weights) between two films of perfluoro polyether Z from the Monte Carlo simulation is compared to that obtained solving the diffusion equation using the experimental diffusion coefficients of Ma et al. (1999), with room condition in both cases. Replenishment per Monte Carlo cycle seems to be a constant multiple of replenishment per second at least up to 2 nm replenished film thickness of the trenches over the carbon surface. Considerable good agreement has been achieved here between the experimental results and the dynamics of molecules using reptation moves in the ultrathin liquid films on solid surfaces.

  14. Surface deterioration of dental materials after simulated toothbrushing in relation to brushing time and load.

    Science.gov (United States)

    Heintze, S D; Forjanic, M; Ohmiti, K; Rousson, V

    2010-04-01

    (1) To evaluate the changes in surface roughness and gloss after simulated toothbrushing of 9 composite materials and 2 ceramic materials in relation to brushing time and load in vitro; (2) to assess the relationship between surface gloss and surface roughness. Eight flat specimens of composite materials (microfilled: Adoro, Filtek Supreme, Heliomolar; microhybrid: Four Seasons, Tetric EvoCeram; hybrid: Compoglass F, Targis, Tetric Ceram; macrohybrid: Grandio), two ceramic materials (IPS d.SIGN and IPS Empress polished) were fabricated according to the manufacturer's instructions and optimally polished with up to 4000 grit SiC. The specimens were subjected to a toothbrushing (TB) simulation device (Willytec) with rotating movements, toothpaste slurry and at three different loads (100g/250g/350g). At hourly intervals from 1h to 10h TB, mean surface roughness Ra was measured with an optical sensor and the surface gloss (Gl) with a glossmeter. Statistical analysis was performed for log-transformed Ra data applying two-way ANOVA to evaluate the interaction between load and material and load and brushing time. There was a significant interaction between material and load as well as between load and brushing time (pgloss was the parameter which discriminated best between the materials, followed by mean surface roughness Ra. There was a strong correlation between surface gloss and surface roughness for all the materials except the ceramics. The evaluation of the deterioration curves of individual specimens revealed a more or less synchronous course suspecting hinting specific external conditions and not showing the true variability in relation to the tested material. The surface roughness and gloss of dental materials changes with brushing time and load and thus results in different material rankings. Apart from Grandio, the hybrid composite resins were more prone to surface changes than microfilled composites. The deterioration potential of a composite material can be

  15. [Surface roughness and gloss of novel flowable composites after polishing and simulated brushing wear].

    Science.gov (United States)

    Wang, R L; Yuan, C Y; Pan, Y X; Tian, F C; Wang, Z H; Wang, X Y

    2017-04-09

    Objective: To investigate surface properties of novel flowable composites after polishing and simulated brushing wear, compared to their pasty counterpart. Methods: Composites employed in this study were: three flowable composites (A1: Clearfil Majesty ES Flow; B1: Beautifil Flow Plus F00; C1: Filtek Bulk Fill) and three paste composites (A2: Clearfil Majesty; B2: Beautifil; C2: Filtek Z350. Eleven disk-shaped specimens were made for each material. The specimens were cured, then subjected to sandpaper finishing for 20 s, one-step polishing for 30 s, finally subjected to simulated brushing for 10 000 cycles. Surface roughness and glossiness were measured before finishing, after finishing, after polishing, after 5 000 brushing cycles and after 10 000 brushing cycles, respectively. Data obtained were analyzed using two-way ANOVA method. Scanning electron microscope was employed to examine the microscopic appearance of each material. Results: Surface roughness (0.11~0.22 μm) and glossiness (74.25~86.48 GU) of each material were similar after one-step polishing. After brushing simulation, roughness increased significantly and glossiness decreased significantly for each material ( Pgloss ([50.68±1.58] GU) after final wear ( P< 0.05). Flowable composites of group A1 and B1 tested in the present setup showed better surface properties compared to their pasty counterpart (group A2 and B2). Conclusions: Within the limit of this study, flowable composites tested in the present research can obtain similar surface polish or even better than the paste composite counterpart.

  16. Degradation of unglazed rough graphite-aluminium solar absorber surfaces in simulated acid and neutral rain

    International Nuclear Information System (INIS)

    Konttinen, P.; Lund, P.D.; Salo, T.

    2005-01-01

    Degradation mechanisms of unglazed solar absorber surfaces based on aluminium substrate were studied. Rough graphite-aluminium surfaces were total-immersion subjected to aerated and de-aerated simulated neutral and acid rain. Test conditions were based on calculated absorber stagnation temperature and global rain acidity measurements. Changes in optical properties, elemental composition and sample mass were examined by spectrometry, energy dispersive X-ray spectrometry and thermogravimetry, respectively. The absorbers exhibited almost no degradation at pH value of 3.5. At pH 5.5 alumina on the surface hydrated significantly degrading the optical properties of the surfaces severely in most cases. Therefore these absorber surfaces can not be recommended to be used in non-glazed applications if they are exposed to rain with pH exceeding ∼ 3.5-4.5. The total-immersion test needs to be developed further as the test results exhibited poor temperature and time dependency thus preventing accurate service lifetime estimates. Still, these tests were useful in determining favourable and non-favourable operating conditions for the absorber surfaces based on aluminium substrate. (author)

  17. Effect of surface stress state on dissolution property of Alloy 690 in simulated primary water condition

    International Nuclear Information System (INIS)

    Kim, Kyung Mo; Shim, Hee-Sang; Lee, Eun Hee; Seo, Myung Ji; Han, Jung Ho; Hur, Do Haeng

    2014-01-01

    The dissolution control of nickel is important to reduce the radioactive dose rate and deterioration of fuel performance in the operation of nuclear power plants (PWR). The corrosion properties are affected by the metal surface residual stress introduced in manufacture process such as work hardening. This work studied the effect of surface modification on the release rate of Alloy 690, nickel-base alloy for a steam generator tube, in the test condition of simulated primary water chemistry in PWRs. The surface stress modification was applied by the electro-polishing and shot peening method. Shot peening process was applied using ceramic beads with different intensities through the variation of air pressure. The corrosion release tests performed at 330degC with LiOH 2 ppm and H 3 BO 4 1200 ppm, DH(dissolved hydrogen) 35 cc/kg (STP) and about 20 ppb of DO(dissolved oxygen) condition. The corrosion release rate was evaluated by a gravimetric analysis method and the surface analysed by SEM and optical microscope. The surface residual stress was measured by an X-ray diffractometer, and the distribution of stress state was evaluated by a micro-hardness tester. The metal ion release rate of alloy 690 was evaluated from the influence of the stress state on the metal surface. The oxide property and structure was affected by the residual stress in the oxide layer. (author)

  18. Finite element simulation of photoacoustic fiber optic sensors for surface corrosion detection on a steel rod

    Science.gov (United States)

    Tang, Qixiang; Owusu Twumasi, Jones; Hu, Jie; Wang, Xingwei; Yu, Tzuyang

    2018-03-01

    Structural steel members have become integral components in the construction of civil engineering infrastructures such as bridges, stadiums, and shopping centers due to versatility of steel. Owing to the uniqueness in the design and construction of steel structures, rigorous non-destructive evaluation techniques are needed during construction and operation processes to prevent the loss of human lives and properties. This research aims at investigating the application of photoacoustic fiber optic transducers (FOT) for detecting surface rust of a steel rod. Surface ultrasonic waves propagation in intact and corroded steel rods was simulated using finite element method (FEM). Radial displacements were collected and short-time Fourier transform (STFT) was applied to obtain the spectrogram. It was found that the presence of surface rust between the FOT and the receiver can be detected in both time and frequency domain. In addition, spectrogram can be used to locate and quantify surface rust. Furthermore, a surface rust detection algorithm utilizing the FOT has been proposed for detection, location and quantification of the surface rust.

  19. Simulation of tsunami effects on sea surface salinity using MODIS satellite data

    International Nuclear Information System (INIS)

    Ramlan, N E F; Genderen, J van; Hashim, M; Marghany, M

    2014-01-01

    Remote sensing technology has been recognized as powerful tool for environmental disaster studies. Ocean surface salinity is considered as a major element in the marine environment. In this study, we simulate the 2004 tsunami's impact on a physical ocean parameter using the least square algorithm to retrieve sea surface salinity (SSS) from MODIS satellite data. The accuracy of this work has been examined using the root mean of sea surface salinity retrieved from MODIS satellite data. The study shows a comprehensive relationship between the in situ measurements and least square algorithm with high r 2 of 0.95, and RMS of bias value of ±0.9 psu. In conclusion, the least square algorithm can be used to retrieve SSS from MODIS satellite data during a tsunami event

  20. Numerical simulation of unsteady free surface flow and dynamic performance for a Pelton turbine

    International Nuclear Information System (INIS)

    Xiao, Y X; Wang, Z W; Yan, Z G; Cui, T

    2012-01-01

    Different from the reaction turbines, the hydraulic performance of the Pelton turbine is dynamic due to the unsteady free surface flow in the rotating buckets in time and space. This paper aims to present the results of investigations conducted on the free surface flow in a Pelton turbine rotating buckets. The unsteady numerical simulations were performed with the CFX code by using the Realizable k-ε turbulence model coupling the two-phase flow volume of fluid method. The unsteady free surface flow patterns and torque varying with the bucket rotating were analysed. The predicted relative performance at five operating conditions was compared with the field test results. The study was also conducted the interactions between the bucket rear and the water jet.

  1. Numerical simulation of unsteady free surface flow and dynamic performance for a Pelton turbine

    Science.gov (United States)

    Xiao, Y. X.; Cui, T.; Wang, Z. W.; Yan, Z. G.

    2012-11-01

    Different from the reaction turbines, the hydraulic performance of the Pelton turbine is dynamic due to the unsteady free surface flow in the rotating buckets in time and space. This paper aims to present the results of investigations conducted on the free surface flow in a Pelton turbine rotating buckets. The unsteady numerical simulations were performed with the CFX code by using the Realizable k-ε turbulence model coupling the two-phase flow volume of fluid method. The unsteady free surface flow patterns and torque varying with the bucket rotating were analysed. The predicted relative performance at five operating conditions was compared with the field test results. The study was also conducted the interactions between the bucket rear and the water jet.

  2. Towards corrosion testing of unglazed solar absorber surfaces in simulated acid rain

    International Nuclear Information System (INIS)

    Salo, T.; Pehkonen, A.; Konttinen, P.; Lund, P.

    2005-01-01

    Electrochemical impedance spectroscopy and potentiodynamic polarization tests were utilized for determining corrosion probabilities of unglazed C/Al 2 O 3 /Al solar absorber surfaces in simulated acid rain. Previously, the main degradation mechanism found was exponentially temperature-related hydration of aluminium oxide. In acid rain tests the main corrosion determinant was the pH value of the rain. Results indicate that these methods measure corrosion characteristics of Al substrate instead of the C/Al 2 O 3 /Al surface, probably mainly due to the rough and non-uniform microstructure of the latter. Further analyses of the test methods are required in order to estimate their applicability on Al-based uniform sputtered absorber surfaces. (author) (C/Al 2 O 3 /Al solar absorber; Acid rain; Corrosion; Electrochemical tests)

  3. Simulation calculations of physical sputtering and reflection coefficient of plasma-irradiated carbon surface

    International Nuclear Information System (INIS)

    Kawamura, T.; Ono, T.; Yamamura, Y.

    1994-08-01

    Physical sputtering yields from the carbon surface irradiated by the boundary plasma are obtained with the use of a Monte Carlo simulation code ACAT. The yields are calculated for many random initial energy and angle values of incident protons or deuterons with a Maxwellian velocity distribution, and then averaged. Here the temperature of the boundary plasma, the sheath potential and the angle δ between the magnetic field line and the surface normal are taken into account. A new fitting formula for an arrangement of the numerical data of sputtering yield is introduced, in which six fitting parameters are determined from the numerical results and listed. These results provide a way to estimate the erosion of carbon materials irradiated by boundary plasma. The particle reflection coefficients for deuterons and their neutrals from a carbon surface are also calculated by the same code and presented together with, for comparison, that for the case of monoenergetic normal incidence. (author)

  4. Computer simulation of biomolecule–biomaterial interactions at surfaces and interfaces

    International Nuclear Information System (INIS)

    Wang, Qun; Wang, Meng-hao; Lu, Xiong; Wang, Ke-feng; Zhang, Xing-dong; Liu, Yaling; Zhang, Hong-ping

    2015-01-01

    Biomaterial surfaces and interfaces are intrinsically complicated systems because they involve biomolecules, implanted biomaterials, and complex biological environments. It is difficult to understand the interaction mechanism between biomaterials and biomolecules through conventional experimental methods. Computer simulation is an effective way to study the interaction mechanism at the atomic and molecular levels. In this review, we summarized the recent studies on the interaction behaviors of biomolecules with three types of the most widely used biomaterials: hydroxyapatite (HA), titanium oxide (TiO 2 ), and graphene(G)/graphene oxide(GO). The effects of crystal forms, crystallographic planes, surface defects, doping atoms, and water environments on biomolecules adsorption are discussed in detail. This review provides valuable theoretical guidance for biomaterial designing and surface modification. (topical review)

  5. Numerical model simulation of free surface behavior in spallation target of ADS

    International Nuclear Information System (INIS)

    Chai Xiang; Su Guanyu; Cheng Xu

    2012-01-01

    The spallation target in accelerator driven sub-critical system (ADS) couples the subcritical reactor core with accelerator. The design of a windowless target has to ensure the formation of a stable free surface with desirable shape, to avoid local over- heating of the heavy liquid metal (HLM). To investigate the free surface behavior of the spallation target, OpenFOAM, an opened CFD software platform, was used to simulate the formation and features of the free surface in the windowless target. VOF method was utilized as the interface-capturing methodology. The numerical results were compared to experimental data and numerical results obtained with FLUENT code. The effects of turbulence models were studied and recommendations were made related to application of turbulence models. (authors)

  6. EFFECT OF SOIL TILLAGE AND PLANT RESIDUE ON SURFACE ROUGHNESS OF AN OXISOL UNDER SIMULATED RAIN

    Directory of Open Access Journals (Sweden)

    Elói Panachuki

    2015-02-01

    Full Text Available Surface roughness of the soil is formed by mechanical tillage and is also influenced by the kind and amount of plant residue, among other factors. Its persistence over time mainly depends on the fundamental characteristics of rain and soil type. However, few studies have been developed to evaluate these factors in Latossolos (Oxisols. In this study, we evaluated the effect of soil tillage and of amounts of plant residue on surface roughness of an Oxisol under simulated rain. Treatments consisted of the combination of the tillage systems of no-tillage (NT, conventional tillage (CT, and minimum tillage (MT with rates of plant residue of 0, 1, and 2 Mg ha-1 of oats (Avena strigosa Schreb and 0, 3, and 6 Mg ha-1 of maize (Zea mays L.. Seven simulated rains were applied on each experimental plot, with intensity of 60±2 mm h-1 and duration of 1 h at weekly intervals. The values of the random roughness index ranged from 2.94 to 17.71 mm in oats, and from 5.91 to 20.37 mm in maize, showing that CT and MT are effective in increasing soil surface roughness. It was seen that soil tillage operations carried out with the chisel plow and the leveling disk harrow are more effective in increasing soil roughness than those carried out with the heavy disk harrow and leveling disk harrow. The roughness index of the soil surface decreases exponentially with the increase in the rainfall volume applied under conditions of no tillage without soil cover, conventional tillage, and minimum tillage. The oat and maize crop residue present on the soil surface is effective in maintaining the roughness of the soil surface under no-tillage.

  7. Clinical application of synthesized brain surface imaging for preoperative simulation of brain biopsy under local anesthesia

    International Nuclear Information System (INIS)

    Ogura, Yuko; Katada, Kazuhiro; Imai, Fumihiro; Fujisawa, Kazuhisa; Takeshita, Gen; Kanno, Tetsuo; Koga, Sukehiko

    1994-01-01

    Surface anatomy scanning (SAS) is the technique which permits the direct visualization of brain surface structures, including cortical sulci, guri, subcortical lesions as well as skin markings for craniotomy. A synthesized brain surface image is a technique that combines MR angiography (MRA) with SAS, and it proposed by us for detecting cerebral superficial veins with these surface structures on the same image. The purpose of this report is to present the result of applying the synthesized brain surface image to the preoperative simulation of biopsy under local anesthesia in 2 cases of multiple metastatic brain tumors. The parameters for SAS were TR/TE=50/40 msec, flip angle=60deg by the fast T 2 technique using refocused FID in steady-state (STERF technique). SAS images were processed by gray scale reversal. The MRA data were acquired with two-dimensional time of flight (TOF) sequence after intravenous administration of Gd-DTPA. Before imaging, the water-filled plastic tubes were placed on the patients scalp as markings for craniotomy. Their positions were planned by the neurosurgeons. On SAS, the markings for burr-hole appeared located above the tumors. However on the synthesized brain surface images, the positions of burr-hole were considered to be inadequate, since superficial cerebral vein and sinus were also visualized in the area of the markings. From these results, the positions of burr-hole were reset to avoid the venous structures, and so as to include the lesions in operations. The biopsies were performed successfully and safely because the venous structure could be excluded from the operative field. By this technique it was easy to confirm the relationships among lesions, skin markings and venous structures. The technique described appears to be a useful method for preoperative simulation of biopsies for multiple metastatic brain tumors under local anesthesia. (author)

  8. Sub-discretized surface model with application to contact mechanics in multi-body simulation

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, S; Williams, J

    2008-02-28

    The mechanics of contact between rough and imperfectly spherical adhesive powder grains are often complicated by a variety of factors, including several which vary over sub-grain length scales. These include several traction factors that vary spatially over the surface of the individual grains, including high energy electron and acceptor sites (electrostatic), hydrophobic and hydrophilic sites (electrostatic and capillary), surface energy (general adhesion), geometry (van der Waals and mechanical), and elasto-plastic deformation (mechanical). For mechanical deformation and reaction, coupled motions, such as twisting with bending and sliding, as well as surface roughness add an asymmetry to the contact force which invalidates assumptions for popular models of contact, such as the Hertzian and its derivatives, for the non-adhesive case, and the JKR and DMT models for adhesive contacts. Though several contact laws have been offered to ameliorate these drawbacks, they are often constrained to particular loading paths (most often normal loading) and are relatively complicated for computational implementation. This paper offers a simple and general computational method for augmenting contact law predictions in multi-body simulations through characterization of the contact surfaces using a hierarchically-defined surface sub-discretization. For the case of adhesive contact between powder grains in low stress regimes, this technique can allow a variety of existing contact laws to be resolved across scales, allowing for moments and torques about the contact area as well as normal and tangential tractions to be resolved. This is especially useful for multi-body simulation applications where the modeler desires statistical distributions and calibration for parameters in contact laws commonly used for resolving near-surface contact mechanics. The approach is verified against analytical results for the case of rough, elastic spheres.

  9. Simulating carbon exchange using a regional atmospheric model coupled to an advanced land-surface model

    Directory of Open Access Journals (Sweden)

    H. W. Ter Maat

    2010-08-01

    Full Text Available This paper is a case study to investigate what the main controlling factors are that determine atmospheric carbon dioxide content for a region in the centre of The Netherlands. We use the Regional Atmospheric Modelling System (RAMS, coupled with a land surface scheme simulating carbon, heat and momentum fluxes (SWAPS-C, and including also submodels for urban and marine fluxes, which in principle should include the dominant mechanisms and should be able to capture the relevant dynamics of the system. To validate the model, observations are used that were taken during an intensive observational campaign in central Netherlands in summer 2002. These include flux-tower observations and aircraft observations of vertical profiles and spatial fluxes of various variables.

    The simulations performed with the coupled regional model (RAMS-SWAPS-C are in good qualitative agreement with the observations. The station validation of the model demonstrates that the incoming shortwave radiation and surface fluxes of water and CO2 are well simulated. The comparison against aircraft data shows that the regional meteorology (i.e. wind, temperature is captured well by the model. Comparing spatially explicitly simulated fluxes with aircraft observed fluxes we conclude that in general latent heat fluxes are underestimated by the model compared to the observations but that the latter exhibit large variability within all flights. Sensitivity experiments demonstrate the relevance of the urban emissions of carbon dioxide for the carbon balance in this particular region. The same tests also show the relation between uncertainties in surface fluxes and those in atmospheric concentrations.

  10. Magnetohydrodynamic simulation study of plasma jets and plasma-surface contact in coaxial plasma accelerators

    Science.gov (United States)

    Subramaniam, Vivek; Raja, Laxminarayan L.

    2017-06-01

    Recent experiments by Loebner et al. [IEEE Trans. Plasma Sci. 44, 1534 (2016)] studied the effect of a hypervelocity jet emanating from a coaxial plasma accelerator incident on target surfaces in an effort to mimic the transient loading created during edge localized mode disruption events in fusion plasmas. In this paper, we present a magnetohydrodynamic (MHD) numerical model to simulate plasma jet formation and plasma-surface contact in this coaxial plasma accelerator experiment. The MHD system of equations is spatially discretized using a cell-centered finite volume formulation. The temporal discretization is performed using a fully implicit backward Euler scheme and the resultant stiff system of nonlinear equations is solved using the Newton method. The numerical model is employed to obtain some key insights into the physical processes responsible for the generation of extreme stagnation conditions on the target surfaces. Simulations of the plume (without the target plate) are performed to isolate and study phenomena such as the magnetic pinch effect that is responsible for launching pressure pulses into the jet free stream. The simulations also yield insights into the incipient conditions responsible for producing the pinch, such as the formation of conductive channels. The jet-target impact studies indicate the existence of two distinct stages involved in the plasma-surface interaction. A fast transient stage characterized by a thin normal shock transitions into a pseudo-steady stage that exhibits an extended oblique shock structure. A quadratic scaling of the pinch and stagnation conditions with the total current discharged between the electrodes is in qualitative agreement with the results obtained in the experiments. This also illustrates the dominant contribution of the magnetic pressure term in determining the magnitude of the quantities of interest.

  11. Stable water isotope and surface heat flux simulation using ISOLSM: Evaluation against in-situ measurements

    KAUST Repository

    Cai, Mick Y.; Wang, Lixin; Parkes, Stephen; Strauss, Josiah; McCabe, Matthew; Evans, Jason P.; Griffiths, Alan D.

    2015-01-01

    The stable isotopes of water are useful tracers of water sources and hydrological processes. Stable water isotope-enabled land surface modeling is a relatively new approach for characterizing the hydrological cycle, providing spatial and temporal variability for a number of hydrological processes. At the land surface, the integration of stable water isotopes with other meteorological measurements can assist in constraining surface heat flux estimates and discriminate between evaporation (E) and transpiration (T). However, research in this area has traditionally been limited by a lack of continuous in-situ isotopic observations. Here, the National Centre for Atmospheric Research stable isotope-enabled Land Surface Model (ISOLSM) is used to simulate the water and energy fluxes and stable water isotope variations. The model was run for a period of one month with meteorological data collected from a coastal sub-tropical site near Sydney, Australia. The modeled energy fluxes (latent heat and sensible heat) agreed reasonably well with eddy covariance observations, indicating that ISOLSM has the capacity to reproduce observed flux behavior. Comparison of modeled isotopic compositions of evapotranspiration (ET) against in-situ Fourier Transform Infrared spectroscopy (FTIR) measured bulk water vapor isotopic data (10. m above the ground), however, showed differences in magnitude and temporal patterns. The disparity is due to a small contribution from local ET fluxes to atmospheric boundary layer water vapor (~1% based on calculations using ideal gas law) relative to that advected from the ocean for this particular site. Using ISOLSM simulation, the ET was partitioned into E and T with 70% being T. We also identified that soil water from different soil layers affected T and E differently based on the simulated soil isotopic patterns, which reflects the internal working of ISOLSM. These results highlighted the capacity of using the isotope-enabled models to discriminate

  12. Parallel Simulation of Three-Dimensional Free Surface Fluid Flow Problems

    International Nuclear Information System (INIS)

    BAER, THOMAS A.; SACKINGER, PHILIP A.; SUBIA, SAMUEL R.

    1999-01-01

    Simulation of viscous three-dimensional fluid flow typically involves a large number of unknowns. When free surfaces are included, the number of unknowns increases dramatically. Consequently, this class of problem is an obvious application of parallel high performance computing. We describe parallel computation of viscous, incompressible, free surface, Newtonian fluid flow problems that include dynamic contact fines. The Galerkin finite element method was used to discretize the fully-coupled governing conservation equations and a ''pseudo-solid'' mesh mapping approach was used to determine the shape of the free surface. In this approach, the finite element mesh is allowed to deform to satisfy quasi-static solid mechanics equations subject to geometric or kinematic constraints on the boundaries. As a result, nodal displacements must be included in the set of unknowns. Other issues discussed are the proper constraints appearing along the dynamic contact line in three dimensions. Issues affecting efficient parallel simulations include problem decomposition to equally distribute computational work among a SPMD computer and determination of robust, scalable preconditioners for the distributed matrix systems that must be solved. Solution continuation strategies important for serial simulations have an enhanced relevance in a parallel coquting environment due to the difficulty of solving large scale systems. Parallel computations will be demonstrated on an example taken from the coating flow industry: flow in the vicinity of a slot coater edge. This is a three dimensional free surface problem possessing a contact line that advances at the web speed in one region but transitions to static behavior in another region. As such, a significant fraction of the computational time is devoted to processing boundary data. Discussion focuses on parallel speed ups for fixed problem size, a class of problems of immediate practical importance

  13. Stable water isotope and surface heat flux simulation using ISOLSM: Evaluation against in-situ measurements

    KAUST Repository

    Cai, Mick Y.

    2015-04-01

    The stable isotopes of water are useful tracers of water sources and hydrological processes. Stable water isotope-enabled land surface modeling is a relatively new approach for characterizing the hydrological cycle, providing spatial and temporal variability for a number of hydrological processes. At the land surface, the integration of stable water isotopes with other meteorological measurements can assist in constraining surface heat flux estimates and discriminate between evaporation (E) and transpiration (T). However, research in this area has traditionally been limited by a lack of continuous in-situ isotopic observations. Here, the National Centre for Atmospheric Research stable isotope-enabled Land Surface Model (ISOLSM) is used to simulate the water and energy fluxes and stable water isotope variations. The model was run for a period of one month with meteorological data collected from a coastal sub-tropical site near Sydney, Australia. The modeled energy fluxes (latent heat and sensible heat) agreed reasonably well with eddy covariance observations, indicating that ISOLSM has the capacity to reproduce observed flux behavior. Comparison of modeled isotopic compositions of evapotranspiration (ET) against in-situ Fourier Transform Infrared spectroscopy (FTIR) measured bulk water vapor isotopic data (10. m above the ground), however, showed differences in magnitude and temporal patterns. The disparity is due to a small contribution from local ET fluxes to atmospheric boundary layer water vapor (~1% based on calculations using ideal gas law) relative to that advected from the ocean for this particular site. Using ISOLSM simulation, the ET was partitioned into E and T with 70% being T. We also identified that soil water from different soil layers affected T and E differently based on the simulated soil isotopic patterns, which reflects the internal working of ISOLSM. These results highlighted the capacity of using the isotope-enabled models to discriminate

  14. Revealing Surface Waters on an Antifreeze Protein by Fusion Protein Crystallography Combined with Molecular Dynamic Simulations.

    Science.gov (United States)

    Sun, Tianjun; Gauthier, Sherry Y; Campbell, Robert L; Davies, Peter L

    2015-10-08

    Antifreeze proteins (AFPs) adsorb to ice through an extensive, flat, relatively hydrophobic surface. It has been suggested that this ice-binding site (IBS) organizes surface waters into an ice-like clathrate arrangement that matches and fuses to the quasi-liquid layer on the ice surface. On cooling, these waters join the ice lattice and freeze the AFP to its ligand. Evidence for the generality of this binding mechanism is limited because AFPs tend to crystallize with their IBS as a preferred protein-protein contact surface, which displaces some bound waters. Type III AFP is a 7 kDa globular protein with an IBS made up two adjacent surfaces. In the crystal structure of the most active isoform (QAE1), the part of the IBS that docks to the primary prism plane of ice is partially exposed to solvent and has clathrate waters present that match this plane of ice. The adjacent IBS, which matches the pyramidal plane of ice, is involved in protein-protein crystal contacts with few surface waters. Here we have changed the protein-protein contacts in the ice-binding region by crystallizing a fusion of QAE1 to maltose-binding protein. In this 1.9 Å structure, the IBS that fits the pyramidal plane of ice is exposed to solvent. By combining crystallography data with MD simulations, the surface waters on both sides of the IBS were revealed and match well with the target ice planes. The waters on the pyramidal plane IBS were loosely constrained, which might explain why other isoforms of type III AFP that lack the prism plane IBS are less active than QAE1. The AFP fusion crystallization method can potentially be used to force the exposure to solvent of the IBS on other AFPs to reveal the locations of key surface waters.

  15. Simulation and preparation of surface EVA in reduced gravity at the Marseilles Bay subsea analogue sites

    Science.gov (United States)

    Weiss, P.; Gardette, B.; Chirié, B.; Collina-Girard, J.; Delauze, H. G.

    2012-12-01

    Extravehicular activity (EVA) of astronauts during space missions is simulated nowadays underwater in neutral buoyancy facilities. Certain aspects of weightlessness can be reproduced underwater by adding buoyancy to a diver-astronaut, therefore exposing the subject to the difficulties of working without gravity. Such tests were done at the COMEX' test pool in Marseilles in the 1980s to train for a French-Russian mission to the MIR station, for the development of the European HERMES shuttle and the COLUMBUS laboratory. However, space agencies are currently studying missions to other destinations than the International Space Station in orbit, such as the return to the Moon, NEO (near-Earth objects) or Mars. All these objects expose different gravities: Moon has one sixth of Earth's gravity, Mars has a third of Earth's gravity and asteroids have virtually no surface gravity; the astronaut "floats" above the ground. The preparation of such missions calls for a new concept in neutral buoyancy training, not on man-made structures, but on natural terrain, underwater, to simulate EVA operations such as sampling, locomotion or even anchoring in low gravity. Underwater sites can be used not only to simulate the reduced gravity that astronauts will experience during their field trips, also human factors like stress are more realistically reproduced in such environment. The Bay of Marseille hosts several underwater sites that can be used to simulate various geologic morphologies, such as sink-holes which can be used to simulate astronaut descends into craters, caves where explorations of lava tubes can be trained or monolithic rock structures that can be used to test anchoring devices (e.g., near Earth objects). Marseilles with its aerospace and maritime/offshore heritage hosts the necessary logistics and expertise that is needed to perform such simulations underwater in a safe manner (training of astronaut-divers in local test pools, research vessels, subsea robots and

  16. Large-eddy simulation of open channel flow with surface cooling

    International Nuclear Information System (INIS)

    Walker, R.; Tejada-Martínez, A.E.; Martinat, G.; Grosch, C.E.

    2014-01-01

    Highlights: • Open channel flow comparable to a shallow tidal ocean flow is simulated using LES. • Unstable stratification is imposed by a constant surface cooling flux. • Full-depth, convection-driven, rotating supercells develop when cooling is applied. • Strengthening of cells occurs corresponding to an increasing of the Rayleigh number. - Abstract: Results are presented from large-eddy simulations of an unstably stratified open channel flow, driven by a uniform pressure gradient and with zero surface shear stress and a no-slip lower boundary. The unstable stratification is applied by a constant cooling flux at the surface and an adiabatic bottom wall, with a constant source term present to ensure the temperature reaches a statistically steady state. The structure of the turbulence and the turbulence statistics are analyzed with respect to the Rayleigh number (Ra τ ) representative of the surface buoyancy relative to shear. The impact of the surface cooling-induced buoyancy on mean and root mean square of velocity and temperature, budgets of turbulent kinetic energy (and components), Reynolds shear stress and vertical turbulent heat flux will be investigated. Additionally, colormaps of velocity fluctuations will aid the visualization of turbulent structures on both vertical and horizontal planes in the flow. Under neutrally stratified conditions the flow is characterized by weak, full-depth, streamwise cells similar to but less coherent than Couette cells in plane Couette flow. Increased Ra τ and thus increased buoyancy effects due to surface cooling lead to full-depth convection cells of significantly greater spanwise size and coherence, thus termed convective supercells. Full-depth convective cell structures of this magnitude are seen for the first time in this open channel domain, and may have important implications for turbulence analysis in a comparable tidally-driven ocean boundary layer. As such, these results motivate further study of the

  17. Ab initio STM and STS simulations on magnetic and nonmagnetic metallic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dick, Alexey

    2008-04-14

    The aim of this work was to provide an in-depth understanding of a new generation of scan- ning tunneling microscopy experiments, performed employing different regimes of the STM: the spectroscopy-mode (the so-called Fourier Transformed STM, FT-STM), and the spin-sensitive mode (the so-called spin-polarized STM, SP-STM). In the present thesis ab initio tools are proposed that are based on DFT calculations to theoretically predict and analyze such types of the STM. The first part of this thesis focusses on the simulation of FT-STM, the mode that allows to probe local dispersion properties of the electrons at the surface. In order to provide the theoretical counterpart of the experimental FT-STM spectra we have introduced a new implicit approach that is derived from Tersoff-Hamann theory of the STM. The importance of an accurate description of surface wavefunctions at 5-15 A above the surface as well as the spurious quantum- size effects have been discussed in detail together with approaches to obtain converged FT-STM images. We applied our method to FT-STM experiments performed on Ag(110) surfaces. In the second part of the thesis we discuss the modeling of the spin-resolved STM, the mode that allows to characterize the magnetic structure of a surface. As a case system we studied here the magnetically-ordered transition-metal nitride surface Mn{sub 3}N{sub 2}(010). Because SP-STM experiments did not allow a conclusive understanding of the surface structure, we have first employed ab initio thermodynamics to figure out the most stable magnetic and atomic configuration of the surface that are consistent with experiments. To simulate SP-STM images on the most stable Mn{sub 3}N{sub 2}(010) surface we have employed the spin-generalized transfer-Hamiltonian formalism, assuming that the tip wavefunctions have dominant radial symmetry (s-like tip). (orig.)

  18. A new design of the LAPS land surface scheme for use over and through heterogeneous and non-heterogeneous surfaces: Numerical simulations and tests

    Science.gov (United States)

    Mihailovic, Dragutin T.; Lazic, Jelena; Leśny, Jacek; Olejnik, Janusz; Lalic, Branislava; Kapor, Darko; Cirisan, Ana

    2010-05-01

    Numerical simulations and tests with the recently redesigned land-air parameterization scheme (LAPS) are presented. In all experiments, supported either by one-point micrometeorological, 1D or 3D simulations, the attention has been directed to: (1) comparison of simulation outputs, expressing the energy transfer over and through heterogeneous and non-heterogeneous surfaces, versus observations and (2) analysis of uncertainties occurring in the solution of the energy balance equation at the land-air interface. To check the proposed method for aggregation of albedo, "propagating hole" sensitivity tests with LAPS over a sandstone rock grid cell have been performed with the forcing meteorological data for July 17, 1999 in Baxter site, Philadelphia (USA). Micrometeorological and biophysical measurements from the surface experiments conducted over crops and apple orchard in Serbia, Poland, Austria and France were used to test the operation of LAPS in calculating surface fluxes and canopy environment temperatures within and above plant covers of different densities. In addition, sensitivity tests with single canopy covers over the Central Europe region and comparison against the observations taken from SYNOP data using 3D simulations were made. Validation of LAPS performances over a solid surface has been done by comparison of 2 m air temperature observations against 5-day simulations over the Sahara Desert rocky ground using 3D model. To examine how realistically the LAPS simulates surface processes over a heterogeneous surface, we compared the air temperature measured at 2 m and that predicted by the 1D model with the LAPS as the surface scheme. Finally, the scheme behaviour over urban surface was tested by runs over different parts of a hypothetical urban area. The corresponding 1D simulations were carried out with an imposed meteorological dataset collected during HAPEX-MOBILHY experiment at Caumont (France). The quantities predicted by the LAPS compare well with the

  19. Ab initio simulation of structure and surface energy of low-index surfaces of stoichiometric α-Fe2O3

    Science.gov (United States)

    Stirner, Thomas; Scholz, David; Sun, Jizhong

    2018-05-01

    The structure and surface energy of a series of low-index surfaces of stoichiometric α-Fe2O3 (hematite) are investigated using the periodic Hartree-Fock approach with an a posteriori correction of the correlation energy. The simulations show that, amongst the modeled facets, (01 1 bar2) and (0001) are the most stable surfaces of hematite, which is consistent with the fact that the latter are the dominant growth faces exposed on natural α-Fe2O3. The Fe-terminated (0001) surface is shown to exhibit a large relaxation of the surface atoms. It is argued that this arises mainly due to the fact that the surface cations are located opposite empty cation sites in the filled-filled-unfilled cation sequence along the c-axis. In contrast, the (01 1 bar2) plane cuts the crystal through a plane of empty cation sites, thus giving rise to relatively small relaxations and surface energies. The small relaxations and concomitant exposure of five-coordinate cation sites may be important for the catalytic activity of hematite. The simulations also show that the relative stability of the investigated surfaces changes after a full lattice relaxation with the (0001) and (11 2 bar6) facets relaxing disproportionately large. Wherever possible, the simulations are compared with previous simulation data and experimental results. A Wulff-Gibbs construction is also presented.

  20. Computer simulation study of the displacement threshold-energy surface in Cu

    International Nuclear Information System (INIS)

    King, W.E.; Benedek, R.

    1981-01-01

    Computer simulations were performed using the molecular-dynamics technique to determine the directional dependence of the threshold energy for production of stable Frenkel pairs in copper. Sharp peaks were observed in the simulated threshold energy surface in between the low-index directions. Threshold energies ranged from approx.25 eV for directions near or to 180 eV at the position of the peak between and . The general topographical features of the simulated threshold-energy surface are in good agreement with those determined from an analysis of recent experiments by King et al. on the basis of a Frenkel-pair resistivity rho/sub F/ = 2.85 x 10 -4 Ω cm. Evidence is presented in favor of this number as opposed to the usually assumed value, rho/sub F/ = 2.00 x 10 -4 Ω cm. The energy dependence of defect production in a number of directions was investigated to determine the importance of nonproductive events above threshold

  1. Simulating Exposure Concentrations of Engineered Nanomaterials in Surface Water Systems: Release of WASP8

    Science.gov (United States)

    Knightes, C. D.; Bouchard, D.; Zepp, R. G.; Henderson, W. M.; Han, Y.; Hsieh, H. S.; Avant, B. K.; Acrey, B.; Spear, J.

    2017-12-01

    The unique properties of engineered nanomaterials led to their increased production and potential release into the environment. Currently available environmental fate models developed for traditional contaminants are limited in their ability to simulate nanomaterials' environmental behavior. This is due to an incomplete understanding and representation of the processes governing nanomaterial distribution in the environment and by scarce empirical data quantifying the interaction of nanomaterials with environmental surfaces. The well-known Water Quality Analysis Simulation Program (WASP) was updated to incorporate nanomaterial-specific processes, specifically hetero-aggregation with particulate matter. In parallel with this effort, laboratory studies were used to quantify parameter values parameters necessary for governing processes in surface waters. This presentation will discuss the recent developments in the new architecture for WASP8 and the newly constructed Advanced Toxicant Module. The module includes advanced algorithms for increased numbers of state variables: chemicals, solids, dissolved organic matter, pathogens, temperature, and salinity. This presentation will focus specifically on the incorporation of nanomaterials, with the applications of the fate and transport of hypothetical releases of Multi-Walled Carbon Nanotubes (MWCNT) and Graphene Oxide (GO) into the headwaters of a southeastern US coastal plains river. While this presentation focuses on nanomaterials, the advanced toxicant module can also simulate metals and organic contaminants.

  2. Surface Defects in Sheet Metal Forming: a Simulative Laboratory Device and Comparison with FE Analysis

    Science.gov (United States)

    Thuillier, Sandrine; Le Port, Alban; Manach, Pierre-Yves

    2011-08-01

    Surface defects are small concave imperfections that can develop during forming on outer convex panels of automotive parts like doors. They occur during springback steps, after drawing in the vicinity of bending over a curved line and flanging/hemming in the vicinity of the upper corner of a door. They can alter significantly the final quality of the automobile and it is of primary importance to deal with them as early as possible in the design of the forming tools. The aim of this work is to reproduce at the laboratory scale such a defect, in the case of the flanging along a curved edge, made of two orthogonal straight part of length 50 mm and joint by a curved line. A dedicated device has been designed and steel samples were tested. Each sample was measured initially (after laser cutting) and after flanging, with a 3D measuring machine. 2D profiles were extracted and the curvature was calculated. Surface defects were defined between points where the curvature sign changed. Isovalues of surface defect depth could then be plotted, thus displaying also the spatial geometry on the part surface. An experimental database has been created on the influence of process parameters like the flanging height and the flanging radius. Numerical simulations have been performed with the finite element code Abaqus to predict the occurrence of such surface defects and to analyze stress and strain distribution within the defect area.

  3. Effect of surface machining on corrosion behavior of SA182-304 in simulated

    International Nuclear Information System (INIS)

    Zhang Zhiming; Wang Jianqiu; Han Enhou; Ke Wei

    2015-01-01

    Different machining processes of mechanical parts can cause surface damage layers with different levels. The surface deformed layer can affect the corrosion behavior and service life of these mechanical parts a lot during the following service process. As a result, it is a key issue for the fabrication of the mechanical parts with long life that the selection of proper machining parameters and the removal of surface damage. The purpose of this study is to study the influence of different turning parameters on the corrosion behavior of nuclear grade SA182-304 stainless steel widely used in the advanced pressured water reactors (PWRs). 6 kinds of samples with different surface state are prepared by a lathe with different machining parameters, such as the feed, cutting speed and back engagement of the cutting edge. The high temperature and high pressure immersion test of these samples in the simulated PWR primary watershows that machining processes can affect the microstructure and chemical composition of the formed surface oxide scales a lot. According to the experimental results, the proper machining parameters for the studied SA182-304 are suggested. (authors)

  4. Numerical simulation of the double pits stress concentration in a curved casing inner surface

    Directory of Open Access Journals (Sweden)

    Wei Yan

    2016-12-01

    Full Text Available Sour or sweet oil fields development is common in recent years. Casing and tubing are usually subjected to pitting corrosion because of exposure to the strong corrosion species, such as CO2, H2S, and saline water. When the corrosion pits formed in the casing inner surface, localized stress concentration will occur and the casing strength will be degraded. Thus, it is essential to evaluate the degree of stress concentration factor accurately. This article performed a numerical simulation on double pits stress concentration factor in a curved inner surface using the finite element software ABAQUS. The results show that the stress concentration factor of double pits mainly depends on the ratio of two pits distance to the pit radius (L/R. It should not be only assessed by the absolute distance between the two pits. When the two pits are close and tangent, the maximum stress concentration factor will appear on the inner tangential edges. Stress concentration increased by double pits in a curved casing inner surface is more serious than that in a flat surface. A correction factor of 1.9 was recommended in the curved inner surface double pits stress concentration factor predict model.

  5. Combined Molecular Dynamics Simulation-Molecular-Thermodynamic Theory Framework for Predicting Surface Tensions.

    Science.gov (United States)

    Sresht, Vishnu; Lewandowski, Eric P; Blankschtein, Daniel; Jusufi, Arben

    2017-08-22

    A molecular modeling approach is presented with a focus on quantitative predictions of the surface tension of aqueous surfactant solutions. The approach combines classical Molecular Dynamics (MD) simulations with a molecular-thermodynamic theory (MTT) [ Y. J. Nikas, S. Puvvada, D. Blankschtein, Langmuir 1992 , 8 , 2680 ]. The MD component is used to calculate thermodynamic and molecular parameters that are needed in the MTT model to determine the surface tension isotherm. The MD/MTT approach provides the important link between the surfactant bulk concentration, the experimental control parameter, and the surfactant surface concentration, the MD control parameter. We demonstrate the capability of the MD/MTT modeling approach on nonionic alkyl polyethylene glycol surfactants at the air-water interface and observe reasonable agreement of the predicted surface tensions and the experimental surface tension data over a wide range of surfactant concentrations below the critical micelle concentration. Our modeling approach can be extended to ionic surfactants and their mixtures with both ionic and nonionic surfactants at liquid-liquid interfaces.

  6. Understanding road surface pollutant wash-off and underlying physical processes using simulated rainfall.

    Science.gov (United States)

    Egodawatta, Prasanna; Goonetilleke, Ashantha

    2008-01-01

    Pollutant wash-off is one of the key pollutant processes that detailed knowledge is required in order to develop successful treatment design strategies for urban stormwater. Unfortunately, current knowledge relating to pollutant wash-off is limited. This paper presents the outcomes of a detailed investigation into pollutant wash-off on residential road surfaces. The investigations consisted of research methodologies formulated to overcome the physical constraints due to the heterogeneity of urban paved surfaces and the dependency on naturally occurring rainfall. This entailed the use of small road surface plots and artificially simulated rainfall. Road surfaces were selected due to its critical importance as an urban stormwater pollutant source. The study results showed that the influence of initially available pollutants on the wash-off process was limited. Furthermore, pollutant wash-off from road surfaces can be replicated using an exponential equation. However, the typical version of the exponential wash-off equation needs to be modified by introducing a non dimensional factor referred to as 'capacity factor' CF. Three rainfall intensity ranges were identified where the variation of CF can be defined. Furthermore, it was found that particulate density rather than size is the critical parameter that influences the process of pollutant wash-off. (c) IWA Publishing 2008.

  7. Simulating Surface-Enhanced Hyper-Raman Scattering Using Atomistic Electrodynamics-Quantum Mechanical Models.

    Science.gov (United States)

    Hu, Zhongwei; Chulhai, Dhabih V; Jensen, Lasse

    2016-12-13

    Surface-enhanced hyper-Raman scattering (SEHRS) is the two-photon analogue of surface-enhanced Raman scattering (SERS), which has proven to be a powerful tool to study molecular structures and surface enhancements. However, few theoretical approaches to SEHRS exist and most neglect the atomistic descriptions of the metal surface and molecular resonance effects. In this work, we present two atomistic electrodynamics-quantum mechanical models to simulate SEHRS. The first is the discrete interaction model/quantum mechanical (DIM/QM) model, which combines an atomistic electrodynamics model of the nanoparticle with a time-dependent density functional theory description of the molecule. The second model is a dressed-tensors method that describes the molecule as a point-dipole and point-quadrupole object interacting with the enhanced local field and field-gradients (FG) from the nanoparticle. In both of these models, the resonance effects are treated efficiently by means of damped quadratic response theory. Using these methods, we simulate SEHRS spectra for benzene and pyridine. Our results show that the FG effects in SEHRS play an important role in determining both the surface selection rules and the enhancements. We find that FG effects are more important in SEHRS than in SERS. We also show that the spectral features of small molecules can be accurately described by accounting for the interactions between the molecule and the local field and FG of the nanoparticle. However, at short distances between the metal and molecule, we find significant differences in the SEHRS enhancements predicted using the DIM/QM and the dressed-tensors methods.

  8. Coupling a groundwater model with a land surface model to improve water and energy cycle simulation

    Directory of Open Access Journals (Sweden)

    W. Tian

    2012-12-01

    Full Text Available Water and energy cycles interact, making these two processes closely related. Land surface models (LSMs can describe the water and energy cycles on the land surface, but their description of the subsurface water processes is oversimplified, and lateral groundwater flow is ignored. Groundwater models (GWMs describe the dynamic movement of the subsurface water well, but they cannot depict the physical mechanisms of the evapotranspiration (ET process in detail. In this study, a coupled model of groundwater flow with a simple biosphere (GWSiB is developed based on the full coupling of a typical land surface model (SiB2 and a 3-D variably saturated groundwater model (AquiferFlow. In this coupled model, the infiltration, ET and energy transfer are simulated by SiB2 using the soil moisture results from the groundwater flow model. The infiltration and ET results are applied iteratively to drive the groundwater flow model. After the coupled model is built, a sensitivity test is first performed, and the effect of the groundwater depth and the hydraulic conductivity parameters on the ET are analyzed. The coupled model is then validated using measurements from two stations located in shallow and deep groundwater depth zones. Finally, the coupled model is applied to data from the middle reach of the Heihe River basin in the northwest of China to test the regional simulation capabilities of the model.

  9. Simulating the performance of a distance-3 surface code in a linear ion trap

    Science.gov (United States)

    Trout, Colin J.; Li, Muyuan; Gutiérrez, Mauricio; Wu, Yukai; Wang, Sheng-Tao; Duan, Luming; Brown, Kenneth R.

    2018-04-01

    We explore the feasibility of implementing a small surface code with 9 data qubits and 8 ancilla qubits, commonly referred to as surface-17, using a linear chain of 171Yb+ ions. Two-qubit gates can be performed between any two ions in the chain with gate time increasing linearly with ion distance. Measurement of the ion state by fluorescence requires that the ancilla qubits be physically separated from the data qubits to avoid errors on the data due to scattered photons. We minimize the time required to measure one round of stabilizers by optimizing the mapping of the two-dimensional surface code to the linear chain of ions. We develop a physically motivated Pauli error model that allows for fast simulation and captures the key sources of noise in an ion trap quantum computer including gate imperfections and ion heating. Our simulations showed a consistent requirement of a two-qubit gate fidelity of ≥99.9% for the logical memory to have a better fidelity than physical two-qubit operations. Finally, we perform an analysis of the error subsets from the importance sampling method used to bound the logical error rates to gain insight into which error sources are particularly detrimental to error correction.

  10. Molecular dynamics simulation of boron implanted into diamond (0 0 1) 2 x 1 reconstruction surface

    International Nuclear Information System (INIS)

    Li Rongbin; Dai Yongbin; Hu Xiaojun; Sheng Heshen; He Xianchang

    2003-01-01

    Molecular dynamic simulations, utilizing the Tersoff many-body potential, are used to investigate the microscopic processes of a single boron atom with energy of 500 eV implanted into the diamond (0 0 1) 2 x 1 reconstruction surface. The lifetime of thermal spike created by B bombardment is about 0.18 ps by calculating the variation of the mean coordination numbers with time. The formation of the split-interstitial composed of projectile and lattice atom (B-C) is observed. The total potential energy of the system decreases about 0.56 eV with a stable B split-interstitial in diamond. The lattice relaxations in the diamond (0 0 1) 2 x 1 reconstruction surface or near surface of simulated have been discussed. The outermost layer atoms tend to move inward, and the other atoms move outward. The interplanar distance between the outermost layer and the second layer has been shortened by 15% compared with its starting interplanar distance. Stress distribution in the calculated diamond configuration is inhomogeneous. After boron implanted into diamond with the energy of 500 eV, there is an excess of compressively stressed atoms in the lattice, which induces the total stress being compressive

  11. Numerical Simulation of the Effects of Water Surface in Building Environment

    Science.gov (United States)

    Li, Guangyao; Pan, Yuqing; Yang, Li

    2018-03-01

    Water body could affect the thermal environment and airflow field in the building districts, because of its special thermal characteristics, evaporation and flat surface. The thermal influence of water body in Tongji University Jiading Campus front area was evaluated. First, a suitable evaporation model was selected and then was applied to calculate the boundary conditions of the water surface in the Fluent software. Next, the computational fluid dynamics (CFD) simulations were conducted on the models both with and without water, following the CFD practices guidelines. Finally, the outputs of the two simulations were compared with each other. Results showed that the effect of evaporative cooling from water surface strongly depends on the wind direction and temperature decrease was about 2∼5°C. The relative humidity within the enclosing area was affected by both the building arrangement and surrounding water. An increase of about 0.1∼0.2m/s of wind speed induced by the water evaporation was observed in the open space.

  12. Simulation of Seismic Response of Reinforced Concrete Beam-Column Joints with Nurbs Surface Fitting

    Directory of Open Access Journals (Sweden)

    Mirhosseini R. Tabatabaei

    2017-09-01

    Full Text Available This paper presents an approach based on NURBS (non-uniform rational B-splines to achieve a seismic response surface (SRS from a group of points obtained by using an analytical model of RC joints. NURBS based on the genetic algorithm is an important mathematical tool and consists of generalizations of Bezier curves and surfaces and B-splines. Generally, the accuracy of the design process of joints depends on the number of control points that are captured in the results of experimental research on real specimens. The values obtained from the specimens are the best tools to use in seismic analysis, though more expensive when compared to values simulated by SRSs. The SRS proposed in this paper can be applied to obtain surfaces that show site effect results on destructions of beam-column joint, taking into account different site conditions for a specific earthquake. The efficiency of this approach is demonstrated by the retrieval of simulated-versus-analytical results.

  13. Molecular dynamics simulations of ejecta production from sinusoidal tin surfaces under supported and unsupported shocks

    Science.gov (United States)

    Wu, Bao; Wu, FengChao; Zhu, YinBo; Wang, Pei; He, AnMin; Wu, HengAn

    2018-04-01

    Micro-ejecta, an instability growth process, occurs at metal/vacuum or metal/gas interface when compressed shock wave releases from the free surface that contains surface defects. We present molecular dynamics (MD) simulations to investigate the ejecta production from tin surface shocked by supported and unsupported waves with pressures ranging from 8.5 to 60.8 GPa. It is found that the loading waveforms have little effect on spike velocity while remarkably affect the bubble velocity. The bubble velocity of unsupported shock loading remains nonzero constant value at late time as observed in experiments. Besides, the time evolution of ejected mass in the simulations is compared with the recently developed ejecta source model, indicating the suppressed ejection of unmelted or partial melted materials. Moreover, different reference positions are chosen to characterize the amount of ejecta under different loading waveforms. Compared with supported shock case, the ejected mass of unsupported shock case saturates at lower pressure. Through the analysis on unloading path, we find that the temperature of tin sample increases quickly from tensile stress state to zero pressure state, resulting in the melting of bulk tin under decaying shock. Thus, the unsupported wave loading exhibits a lower threshold pressure causing the solid-liquid phase transition on shock release than the supported shock loading.

  14. Molecular dynamics simulations of ejecta production from sinusoidal tin surfaces under supported and unsupported shocks

    Directory of Open Access Journals (Sweden)

    Bao Wu

    2018-04-01

    Full Text Available Micro-ejecta, an instability growth process, occurs at metal/vacuum or metal/gas interface when compressed shock wave releases from the free surface that contains surface defects. We present molecular dynamics (MD simulations to investigate the ejecta production from tin surface shocked by supported and unsupported waves with pressures ranging from 8.5 to 60.8 GPa. It is found that the loading waveforms have little effect on spike velocity while remarkably affect the bubble velocity. The bubble velocity of unsupported shock loading remains nonzero constant value at late time as observed in experiments. Besides, the time evolution of ejected mass in the simulations is compared with the recently developed ejecta source model, indicating the suppressed ejection of unmelted or partial melted materials. Moreover, different reference positions are chosen to characterize the amount of ejecta under different loading waveforms. Compared with supported shock case, the ejected mass of unsupported shock case saturates at lower pressure. Through the analysis on unloading path, we find that the temperature of tin sample increases quickly from tensile stress state to zero pressure state, resulting in the melting of bulk tin under decaying shock. Thus, the unsupported wave loading exhibits a lower threshold pressure causing the solid-liquid phase transition on shock release than the supported shock loading.

  15. Molecular Dynamics Simulation of Water Nanodroplets on Silica Surfaces at High Air Pressures

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Jaffe, Richard Lawrence; Walther, Jens Honore

    2010-01-01

    e.g., nanobubbles. In the present work we study the role of air on the wetting of hydrophilic systems. We conduct molecular dynamics simulations of a water nanodroplet on an amorphous silica surface at different air pressures. The interaction potentials describing the silica, water, and air......Silicon dioxides-water systems are abundant in nature and play fundamental roles in a diversity of novel science and engineering applications. Although extensive research has been devoted to study the nature of the interaction between silica and water a complete understanding of the system has...... perform extensive simulations of the water- air equilibrium and calibrate the water-air interaction to match the experimental solubility of N2 and O2 in water. For the silica-water system we calibrate the water-silica interaction to match the experimental contact angle of 27º. We subsequently study...

  16. The simulation of thermal characteristics of 980 nm vertical cavity surface emitting lasers

    Science.gov (United States)

    Fang, Tianxiao; Cui, Bifeng; Hao, Shuai; Wang, Yang

    2018-02-01

    In order to design a single mode 980 nm vertical cavity surface emitting laser (VCSEL), a 2 μm output aperture is designed to guarantee the single mode output. The effects of different mesa sizes on the lattice temperature, the output power and the voltage are simulated under the condition of continuous working at room temperature, to obtain the optimum process parameters of mesa. It is obtained by results of the crosslight simulation software that the sizes of mesa radius are between 9.5 to 12.5 μm, which cannot only obtain the maximum output power, but also improve the heat dissipation of the device. Project supported by the Beijing Municipal Eduaction Commission (No. PXM2016_014204_500018) and the Construction of Scientific and Technological Innovation Service Ability in 2017 (No. PXM2017_014204_500034).

  17. Simulation of ultrasonic surface waves with multi-Gaussian and point source beam models

    International Nuclear Information System (INIS)

    Zhao, Xinyu; Schmerr, Lester W. Jr.; Li, Xiongbing; Sedov, Alexander

    2014-01-01

    In the past decade, multi-Gaussian beam models have been developed to solve many complicated bulk wave propagation problems. However, to date those models have not been extended to simulate the generation of Rayleigh waves. Here we will combine Gaussian beams with an explicit high frequency expression for the Rayleigh wave Green function to produce a three-dimensional multi-Gaussian beam model for the fields radiated from an angle beam transducer mounted on a solid wedge. Simulation results obtained with this model are compared to those of a point source model. It is shown that the multi-Gaussian surface wave beam model agrees well with the point source model while being computationally much more efficient

  18. Supersonic flow over a pitching delta wing using surface pressure measurements and numerical simulations

    Directory of Open Access Journals (Sweden)

    Mostafa HADIDOOLABI

    2018-01-01

    Full Text Available Experimental and numerical methods were applied to investigating high subsonic and supersonic flows over a 60° swept delta wing in fixed state and pitching oscillation. Static pressure coefficient distributions over the wing leeward surface and the hysteresis loops of pressure coefficient versus angle of attack at the sensor locations were obtained by wind tunnel tests. Similar results were obtained by numerical simulations which agreed well with the experiments. Flow structure around the wing was also demonstrated by the numerical simulation. Effects of Mach number and angle of attack on pressure distribution curves in static tests were investigated. Effects of various oscillation parameters including Mach number, mean angle of attack, pitching amplitude and frequency on hysteresis loops were investigated in dynamic tests and the associated physical mechanisms were discussed. Vortex breakdown phenomenon over the wing was identified at high angles of attack using the pressure coefficient curves and hysteresis loops, and its effects on the flow features were discussed.

  19. Analytic simulation of the Poincare surface of sections for the diamagnetic Kepler problem

    International Nuclear Information System (INIS)

    Hasegawa, H.; Harada, A.; Okazaki, Y.

    1984-01-01

    The Poincare surface-of-section analysis which the authors previously reported on the diamagnetic Kepler problem (classical hydrogen atom in a uniform magnetic field) in a transition region from regular to chaotic motions is simulated by an analytic means, by taking intersections of the energy integral and the approximate integral Λ of Solovev to obtain sections of the two separate regions of the motion that exist in the limit of a weak magnetic field (B → 0). The origin of the unique hyperbolic point and the separatrix around which the onset of chaos takes place are thus identified. The invariant tori arising near the full chaos are shown to be simulated by this method but with modified parameter values in the expression Λ. (author)

  20. Analytic simulation of the Poincare surface of sections for the diamagnetic Kepler problem

    Energy Technology Data Exchange (ETDEWEB)

    Hasegawa, H; Harada, A; Okazaki, Y [Kyoto Univ. (Japan). Dept. of Physics

    1984-11-11

    The Poincare surface-of-section analysis which the authors previously reported on the diamagnetic Kepler problem (classical hydrogen atom in a uniform magnetic field) in a transition region from regular to chaotic motions is simulated by an analytic means, by taking intersections of the energy integral and the approximate integral ..lambda.. of Solovev to obtain sections of the two separate regions of the motion that exist in the limit of a weak magnetic field (B ..-->.. 0). The origin of the unique hyperbolic point and the separatrix around which the onset of chaos takes place are thus identified. The invariant tori arising near the full chaos are shown to be simulated by this method but with modified parameter values in the expression ..lambda...

  1. Simulation of groundwater and surface-water flow in the upper Deschutes Basin, Oregon

    Science.gov (United States)

    Gannett, Marshall W.; Lite, Kenneth E.; Risley, John C.; Pischel, Esther M.; La Marche, Jonathan L.

    2017-10-20

    This report describes a hydrologic model for the upper Deschutes Basin in central Oregon developed using the U.S. Geological Survey (USGS) integrated Groundwater and Surface-Water Flow model (GSFLOW). The upper Deschutes Basin, which drains much of the eastern side of the Cascade Range in Oregon, is underlain by large areas of permeable volcanic rock. That permeability, in combination with the large annual precipitation at high elevations, results in a substantial regional aquifer system and a stream system that is heavily groundwater dominated.The upper Deschutes Basin is also an area of expanding population and increasing water demand for public supply and agriculture. Surface water was largely developed for agricultural use by the mid-20th century, and is closed to additional appropriations. Consequently, water users look to groundwater to satisfy the growing demand. The well‑documented connection between groundwater and the stream system, and the institutional and legal restrictions on streamflow depletion by wells, resulted in the Oregon Water Resources Department (OWRD) instituting a process whereby additional groundwater pumping can be permitted only if the effects to streams are mitigated, for example, by reducing permitted surface-water diversions. Implementing such a program requires understanding of the spatial and temporal distribution of effects to streams from groundwater pumping. A groundwater model developed in the early 2000s by the USGS and OWRD has been used to provide insights into the distribution of streamflow depletion by wells, but lacks spatial resolution in sensitive headwaters and spring areas.The integrated model developed for this project, based largely on the earlier model, has a much finer grid spacing allowing resolution of sensitive headwater streams and important spring areas, and simulates a more complete set of surface processes as well as runoff and groundwater flow. In addition, the integrated model includes improved

  2. Surface roughness effect on ultracold neutron interaction with a wall and implications for computer simulations

    International Nuclear Information System (INIS)

    Steyerl, A.; Malik, S. S.; Desai, A. M.; Kaufman, C.

    2010-01-01

    We review the diffuse scattering and the loss coefficient in ultracold neutron reflection from slightly rough surfaces, report a surprising reduction in loss coefficient due to roughness, and discuss the possibility of transition from quantum treatment to ray optics. The results are used in a computer simulation of neutron storage in a recent neutron lifetime experiment that reported a large discrepancy of neutron lifetime with the current particle data value. Our partial reanalysis suggests the possibility of systematic effects that were not included in this publication.

  3. IrPd nanoalloys: simulations, from surface segregation to local electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Andriamiharintsoa, T. H. [Institut de Physique et Chimie des Matériaux de Strasbourg CNRS-UDS UMR 7504 (France); Rakotomahevitra, A. [Institut pour la Maîtrise de l’Énergie, Faculté des sciences d’Antananarivo (Madagascar); Piccolo, L. [Institut de Recherches sur la Catalyse et l’Environnement de Lyon IRCELYON, UMR 5256 CNRS and Université Lyon 1 (France); Goyhenex, C., E-mail: christine.goyhenex@ipcms.unistra.fr [Institut de Physique et Chimie des Matériaux de Strasbourg CNRS-UDS UMR 7504 (France)

    2015-05-15

    Using semi-empirical modeling, namely tight-binding at different levels of accuracy, the chemical, crystallographic, and electronic structures of bimetallic IrPd nanoparticles are characterized. For the purpose, model cuboctahedral particles containing 561 atoms are considered. Atomistic simulations show that core–shell nanoparticles are highly stable, with a strong surface segregation of Pd, at least for one atomic shell thickness. Within self-consistent tight-binding calculations founded on the density functional theory, an accurate insight is given into the electronic structure of these materials which have a high potential as catalysts.

  4. Two-component injection moulding simulation of ABS-POM micro structured surfaces

    DEFF Research Database (Denmark)

    Tosello, Guido; Hansen, Hans Nørgaard; Islam, Aminul

    2013-01-01

    Multi-component micro injection moulding (μIM) processes such as two-component (2k) μIM are the key technologies for the mass fabrication of multi-material micro products. 2k-μIM experiments involving a miniaturized test component with micro features in the sub-mm dimensional range and moulding...... a pair of thermoplastic materials (ABS and POM) were conducted. Three dimensional process simulations based on the finite element method have been performed to explore the capability of predicting filling pattern shape at component-level and surface micro feature-level in a polymer/polymer overmoulding...

  5. Simulation of depositions of a Lennard-Jones cluster on a crystalline surface

    International Nuclear Information System (INIS)

    Saitoh, Kuniyasu; Hayakawa, Hisao

    2009-01-01

    Depositions of amorphous Lennard-Jones clusters on a crystalline surface are numerically investigated. From the results of the molecular dynamics simulation, we found that the deposited clusters exhibit a transition from multilayered adsorption to monolayered adsorption at a critical incident speed. Employing the energy conservation law, we can explain the behavior of the ratio of the number of atoms adsorbed on the substrate to the cluster size. The boundary shape of the deposited cluster depends strongly on the incident speed, and some unstable modes grow during the spread of the deposited cluster on the substrate. We also discuss the wettability between different Lennard-Jones atoms. (author)

  6. Use of a surface contamination survey simulation program and its effects

    International Nuclear Information System (INIS)

    Onuma, Isamu; Kobayashi, Makoto; Umehara, Takashi; Shimizu, Isamu

    2012-01-01

    A computer simulation program has been developed to train the practitioners examining the surface contamination of objects to be carried out from the controlled area. The efficiency of the examination depends significantly on the proficiency in radiation measurement and proper perception of contamination. It has been demonstrated through the usage of the program that it helps practitioners very much suggest their weakness and promote their skill in examination. The program runs on the commonly used personal computers and users can easily experience the virtual examination by sweeping and cricking the mouse. The program is useful to radiation protection practitioners not only beginners but also experts. (author)

  7. Improvement of surface planarity measurements by temperature correction and structural simulations

    Energy Technology Data Exchange (ETDEWEB)

    Herrmann, Maximilian; Biebel, Otmar; Bortfeldt, Jonathan; Flierl, Bernhard; Hertenberger, Ralf; Loesel, Philipp; Mueller, Ralph [LMU Muenchen (Germany); Zibell, Andre [JMU Wuerzburg (Germany)

    2016-07-01

    Novel micro pattern gaseous detectors, like Micromegas, for particle physics experiments require precise flat active layers of 2-3 m{sup 2} in size. A construction procedure developed at LMU for 2 m{sup 2} sized Micromegas achieves surface planarities with a RMS below 30 μm. The measurements were performed using a laser distance sensor attached to a coordinate measurement machine. Studies were made to investigate the influence of temperature variations on these measurements. The temperature is monitored by several sensors. We present results containing corrections of the measurements in respect to temperature changes. In addition simulations with the FEM program ANSYS are compared to measured detector panel deformations introduced by forces, in order to study their effect on the surface planarity.

  8. Simulation of an extended surface detector IceVeto for IceCube-Gen2

    Energy Technology Data Exchange (ETDEWEB)

    Hansmann, Tim; Auffenberg, Jan; Haack, Christian; Hansmann, Bengt; Kemp, Julian; Konietz, Richard; Leuner, Jakob; Raedel, Leif; Stahlberg, Martin; Schoenen, Sebastian; Wiebusch, Christopher [III. Physikalisches Institut B, RWTH Aachen University (Germany); Collaboration: IceCube-Collaboration

    2016-07-01

    IceCube is a neutrino observatory located at the geographic South Pole. The main backgrounds for IceCube's primary goal, the measurement of astrophysical neutrinos, are muons and neutrinos from cosmic-ray air showers in the Earth's atmosphere. Strong supression of these backgrounds from the Southern hemisphere has been demonstrated by coincident detection of these air showers with the IceTop surface detector. For an extended instrument, IceCube-Gen2, it is considered to build an enlarged surface array, IceVeto, that will improve the detection capabilities of coincident air showers. We will present simulation studies to estimate the IceVeto capabilities to optimize the IceCube-Gen2 design.

  9. Modeling and simulation for fewer-axis grinding of complex surface

    Science.gov (United States)

    Li, Zhengjian; Peng, Xiaoqiang; Song, Ci

    2017-10-01

    As the basis of fewer-axis grinding of complex surface, the grinding mathematical model is of great importance. A mathematical model of the grinding wheel was established, and then coordinate and normal vector of the wheel profile could be calculated. Through normal vector matching at the cutter contact point and the coordinate system transformation, the grinding mathematical model was established to work out the coordinate of the cutter location point. Based on the model, interference analysis was simulated to find out the right position and posture of workpiece for grinding. Then positioning errors of the workpiece including the translation positioning error and the rotation positioning error were analyzed respectively, and the main locating datum was obtained. According to the analysis results, the grinding tool path was planned and generated to grind the complex surface, and good form accuracy was obtained. The grinding mathematical model is simple, feasible and can be widely applied.

  10. Recent Advancements in the Numerical Simulation of Surface Irradiance for Solar Energy Applications: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Yu; Sengupta, Manajit; Deline, Chris

    2017-06-27

    This paper briefly reviews the National Renewable Energy Laboratory's recent efforts on developing all-sky solar irradiance models for solar energy applications. The Fast All-sky Radiation Model for Solar applications (FARMS) utilizes the simulation of clear-sky transmittance and reflectance and a parameterization of cloud transmittance and reflectance to rapidly compute broadband irradiances on horizontal surfaces. FARMS delivers accuracy that is comparable to the two-stream approximation, but it is approximately 1,000 times faster. A FARMS-Narrowband Irradiance over Tilted surfaces (FARMS-NIT) has been developed to compute spectral irradiances on photovoltaic (PV) panels in 2002 wavelength bands. Further, FARMS-NIT has been extended for bifacial PV panels.

  11. Simulation of the Onset of the Southeast Asian Monsoon during 1997 and 1998: The Impact of Surface Processes

    Science.gov (United States)

    Wang, Yansen; Tao, W.-K.; Lau, K.-M.; Wetzel, Peter J.

    2004-01-01

    The onset of the southeast Asian monsoon during 1997 and 1998 was simulated by coupling a mesoscale atmospheric model (MM5) and a detailed, land surface model, PLACE (the Parameterization for Land-Atmosphere-Cloud Exchange). The rainfall results from the simulations were compared with observed satellite data from the TRMM (Tropical Rainfall Measuring Mission) TMI (TRMM Microwave Imager) and GPCP (Global Precipitation Climatology Project). The control simulation with the PLACE land surface model and variable sea surface temperature captured the basic signatures of the monsoon onset processes and associated rainfall statistics. Sensitivity tests indicated that simulations were sigmficantly improved by including the PLACE land surface model. The mechanism by which the land surface processes affect the moisture transport and the convection during the onset of the southeast Asian monsoon were analyzed. The results indicated that land surface processes played an important role in modifying the low-level wind field over two major branches of the circulation: the southwest low-level flow over the Indo-china peninsula and the northern, cold frontal intrusion from southern China. The surface sensible and latent heat fluxes modified the low-level temperature distribution and gradient, and therefore the low-level wind due to the thermal wind effect. The more realistic forcing of the sensible and latent heat fluxes from the detailed, land surface model improved the low-level wind simulation apd associated moisture transport and convection.

  12. Simulation of the Impact of New Ocean Surface Wind Measurements on H*Wind Analyses

    Science.gov (United States)

    Miller, Timothy; Atlas, Robert; Black, Peter; Chen, Shuyi; Hood, Robbie; Johnson, James; Jones, Linwood; Ruf, Chris; Uhlhorn, Eric

    2008-01-01

    The H*Wind analysis, a product of the Hurricane Research Division of NOAA's Atlantic Oceanographic and Meteorological Laboratory, brings together wind measurements from a variety of observation platforms into an objective analysis of the distribution of surface wind speeds in a tropical cyclone. This product is designed to improve understanding of the extent and strength of the wind field, and to improve the assessment of hurricane intensity. See http://www.aoml.noaa.gov/hrd/data sub/wind.html. The Hurricane Imaging Radiometer (HIRAD) is a new passive microwave remote sensor for hurricane observations that is currently under development by NASA Marshall Space Flight Center, NOAA Hurricane Research Division, the University of Central Florida and the University of Michigan. HIRAD is being designed to enhance the current real-time airborne ocean surface winds observation capabilities of NOAA and USAF Weather Squadron hurricane hunter aircraft using the operational airbome Stepped Frequency Microwave Radiometer (SFMR). Unlike SFMR, which measures wind speed and rain rate along the ground track directly beneath the aircraft, HIRAD will provide images of the surface wind and rain field over a wide swath (approximately 3 x the aircraft altitude, or approximately 2 km from space). The instrument is described in a separate paper presented at this conference. The present paper describes a set of Observing System Simulation Experiments (OSSEs) in which measurements from the new instrument as well as those from existing instruments (air, surface, and space-based) are simulated from the output of a numerical model from the University of Miami, and those results are used to construct H*Wind analyses. Evaluations will be presented on the relative impact of HIRAD and other instruments on H*Wind analyses, including the use of HIRAD from 2 aircraft altitudes and from a space-based platform.

  13. Extended survival of several organisms and amino acids under simulated martian surface conditions

    Science.gov (United States)

    Johnson, A. P.; Pratt, L. M.; Vishnivetskaya, T.; Pfiffner, S.; Bryan, R. A.; Dadachova, E.; Whyte, L.; Radtke, K.; Chan, E.; Tronick, S.; Borgonie, G.; Mancinelli, R. L.; Rothschild, L. J.; Rogoff, D. A.; Horikawa, D. D.; Onstott, T. C.

    2011-02-01

    Recent orbital and landed missions have provided substantial evidence for ancient liquid water on the martian surface as well as evidence of more recent sedimentary deposits formed by water and/or ice. These observations raise serious questions regarding an independent origin and evolution of life on Mars. Future missions seek to identify signs of extinct martian biota in the form of biomarkers or morphological characteristics, but the inherent danger of spacecraft-borne terrestrial life makes the possibility of forward contamination a serious threat not only to the life detection experiments, but also to any extant martian ecosystem. A variety of cold and desiccation-tolerant organisms were exposed to 40 days of simulated martian surface conditions while embedded within several centimeters of regolith simulant in order to ascertain the plausibility of such organisms' survival as a function of environmental parameters and burial depth. Relevant amino acid biomarkers associated with terrestrial life were also analyzed in order to understand the feasibility of detecting chemical evidence for previous biological activity. Results indicate that stresses due to desiccation and oxidation were the primary deterrent to organism survival, and that the effects of UV-associated damage, diurnal temperature variations, and reactive atmospheric species were minimal. Organisms with resistance to desiccation and radiation environments showed increased levels of survival after the experiment compared to organisms characterized as psychrotolerant. Amino acid analysis indicated the presence of an oxidation mechanism that migrated downward through the samples during the course of the experiment and likely represents the formation of various oxidizing species at mineral surfaces as water vapor diffused through the regolith. Current sterilization protocols may specifically select for organisms best adapted to survival at the martian surface, namely species that show tolerance to radical

  14. Modeling and Simulation of Long-Term Performance of Near-Surface Barriers

    International Nuclear Information System (INIS)

    Piet, S. J.; Jacobson, J. J.; Martian, P.; Martineau, R.; Soto, R.

    2003-01-01

    INEEL started a new project on long-term barrier integrity in April 2002 that aims to catalyze a Barrier Improvement Cycle (iterative learning and application) and thus enable Remediation System Performance Management (doing the right maintenance neither too early nor too late, prior to system-level failure). This paper describes our computer simulation approach for better understanding the relationships and dynamics between the various components and management decisions in a cap. The simulation is designed to clarify the complex relationships between the various components within the cap system and the various management practices that affect the barrier performance. We have also conceptualized a time-dependent 3-D simulation with rigorous solution to unsaturated flow physics with complex surface boundary conditions

  15. Impacts of Satellite-Based Snow Albedo Assimilation on Offline and Coupled Land Surface Model Simulations.

    Directory of Open Access Journals (Sweden)

    Tao Wang

    Full Text Available Seasonal snow cover in the Northern Hemisphere is the largest component of the terrestrial cryosphere and plays a major role in the climate system through strong positive feedbacks related to albedo. The snow-albedo feedback is invoked as an important cause for the polar amplification of ongoing and projected climate change, and its parameterization across models is an important source of uncertainty in climate simulations. Here, instead of developing a physical snow albedo scheme, we use a direct insertion approach to assimilate satellite-based surface albedo during the snow season (hereafter as snow albedo assimilation into the land surface model ORCHIDEE (ORganizing Carbon and Hydrology In Dynamic EcosystEms and assess the influences of such assimilation on offline and coupled simulations. Our results have shown that snow albedo assimilation in both ORCHIDEE and ORCHIDEE-LMDZ (a general circulation model of Laboratoire de Météorologie Dynamique improve the simulation accuracy of mean seasonal (October throughout May snow water equivalent over the region north of 40 degrees. The sensitivity of snow water equivalent to snow albedo assimilation is more pronounced in the coupled simulation than the offline simulation since the feedback of albedo on air temperature is allowed in ORCHIDEE-LMDZ. We have also shown that simulations of air temperature at 2 meters in ORCHIDEE-LMDZ due to snow albedo assimilation are significantly improved during the spring in particular over the eastern Siberia region. This is a result of the fact that high amounts of shortwave radiation during the spring can maximize its snow albedo feedback, which is also supported by the finding that the spatial sensitivity of temperature change to albedo change is much larger during the spring than during the autumn and winter. In addition, the radiative forcing at the top of the atmosphere induced by snow albedo assimilation during the spring is estimated to be -2.50 W m-2, the

  16. Molecular dynamics simulation of nanoscale surface diffusion of heterogeneous adatoms clusters

    International Nuclear Information System (INIS)

    Imran, Muhammad; Hussain, Fayyaz; Ullah, Hafeez; Ahmad, Ejaz; Rashid, Muhammad; Ismail, Muhammad; Cai, Yongqing; Javid, M Arshad; Ahmad, S A

    2016-01-01

    Molecular dynamics simulation employing the embedded atom method potential is utilized to investigate nanoscale surface diffusion mechanisms of binary heterogeneous adatoms clusters at 300 K, 500 K, and 700 K. Surface diffusion of heterogeneous adatoms clusters can be vital for the binary island growth on the surface and can be useful for the formation of alloy-based thin film surface through atomic exchange process. The results of the diffusion process show that at 300 K, the diffusion of small adatoms clusters shows hopping, sliding, and shear motion; whereas for large adatoms clusters (hexamer and above), the diffusion is negligible. At 500 K, small adatoms clusters, i.e., dimer, show almost all possible diffusion mechanisms including the atomic exchange process; however no such exchange is observed for adatoms clusters greater than dimer. At 700 K, the exchange mechanism dominates for all types of clusters, where Zr adatoms show maximum tendency and Ag adatoms show minimum or no tendency toward the exchange process. Separation and recombination of one or more adatoms are also observed at 500 K and 700 K. The Ag adatoms also occupy pop-up positions over the adatoms clusters for short intervals. At 700 K, the vacancies are also generated in the vicinity of the adatoms cluster, vacancy formation, filling, and shifting can be observed from the results. (paper)

  17. CFD simulation of simultaneous monotonic cooling and surface heat transfer coefficient

    International Nuclear Information System (INIS)

    Mihálka, Peter; Matiašovský, Peter

    2016-01-01

    The monotonic heating regime method for determination of thermal diffusivity is based on the analysis of an unsteady-state (stabilised) thermal process characterised by an independence of the space-time temperature distribution on initial conditions. At the first kind of the monotonic regime a sample of simple geometry is heated / cooled at constant ambient temperature. The determination of thermal diffusivity requires the determination rate of a temperature change and simultaneous determination of the first eigenvalue. According to a characteristic equation the first eigenvalue is a function of the Biot number defined by a surface heat transfer coefficient and thermal conductivity of an analysed material. Knowing the surface heat transfer coefficient and the first eigenvalue the thermal conductivity can be determined. The surface heat transport coefficient during the monotonic regime can be determined by the continuous measurement of long-wave radiation heat flow and the photoelectric measurement of the air refractive index gradient in a boundary layer. CFD simulation of the cooling process was carried out to analyse local convective and radiative heat transfer coefficients more in detail. Influence of ambient air flow was analysed. The obtained eigenvalues and corresponding surface heat transfer coefficient values enable to determine thermal conductivity of the analysed specimen together with its thermal diffusivity during a monotonic heating regime.

  18. Balancing an accurate representation of the molecular surface in generalized Born formalisms with integrator stability in molecular dynamics simulations

    Czech Academy of Sciences Publication Activity Database

    Chocholoušová, Jana; Feig, M.

    2006-01-01

    Roč. 27, č. 6 (2006), s. 719-729 ISSN 0192-8651 Keywords : molecular surface * generalized Born formalisms * molecular dynamic simulations Subject RIV: CC - Organic Chemistry Impact factor: 4.893, year: 2006

  19. A Monte Carlo simulation of the exchange reaction between gaseous molecules and the atoms on a heterogeneous solid surface

    International Nuclear Information System (INIS)

    Imai, Hisao

    1980-01-01

    A method of the Monte Carlo simulation of the isotopic exchange reaction between gaseous molecules and the atoms on an arbitrarily heterogeneous solid surface is described by employing hydrogen as an example. (author)

  20. Development of Advanced Wear and Corrosion Resistant Systems Through Laser Surface Alloying and Materials Simulations

    Energy Technology Data Exchange (ETDEWEB)

    R. P. Martukanitz and S. Babu

    2007-05-03

    Laser surfacing in the form of cladding, alloying, and modifications are gaining widespread use because of its ability to provide high deposition rates, low thermal distortion, and refined microstructure due to high solidification rates. Because of these advantages, laser surface alloying is considered a prime candidate for producing ultra-hard coatings through the establishment or in situ formation of composite structures. Therefore, a program was conducted by the Applied Research Laboratory, Pennsylvania State University and Oak Ridge National Laboratory to develop the scientific and engineering basis for performing laser-based surface modifications involving the addition of hard particles, such as carbides, borides, and nitrides, within a metallic matrix for improved wear, fatigue, creep, and corrosion resistance. This has involved the development of advanced laser processing and simulation techniques, along with the refinement and application of these techniques for predicting and selecting materials and processing parameters for the creation of new surfaces having improved properties over current coating technologies. This program has also resulted in the formulation of process and material simulation tools capable of examining the potential for the formation and retention of composite coatings and deposits produced using laser processing techniques, as well as positive laboratory demonstrations in producing these coatings. In conjunction with the process simulation techniques, the application of computational thermodynamic and kinetic models to design laser surface alloying materials was demonstrated and resulted in a vast improvement in the formulation of materials used for producing composite coatings. The methodology was used to identify materials and to selectively modify microstructures for increasing hardness of deposits produced by the laser surface alloying process. Computational thermodynamic calculations indicated that it was possible to induce the

  1. Finite Element Method Simulations of the Near-Field Enhancement at the Vicinity of Fractal Rough Metallic Surfaces

    International Nuclear Information System (INIS)

    Micic, Miodrag; Klymyshyn, Nicholas A.; Lu, H Peter

    2004-01-01

    Near-field optical enhancement at metal surfaces and methods such as surface plasmon resonance (SPR), surface-enhanced Raman scattering (SERS), fluorescent quenching and enhancement, and various near-field scanning microscopies (NSOM) all depend on a metals surface properties, mainly on its morphology and SPR resonant frequency. We report on simulations of the influence of different surface morphologies on electromagnetic field enhancements at the rough surfaces of noble metals and also evaluate the optimal conditions for the generation of a surface-enhanced Raman signal of absorbed species on a metallic substrate. All simulations were performed with a classical electrodynamics approach using the full set of Maxwells equations, which were solved with the three-dimensional finite element method (FEM). Two different classes of surfaces where modeled using fractals, representing diffusion limited aggregation growth dendritic structures, such as one on the surface of electrodes, and second one representing the sponge-like structure used to model surfaces of particles with high porosity, such as metal coated catalyst supports. The simulations depict the high inhomogeneity of an enhanced electromagnetic field as both a field enhancement and field attenuation near the surface. While the diffusion limited aggregation dendritical fractals enhanced the near-field electromagnetic field, the sponge fractals significantly reduced the local electromagnetic field intensity. Moreover, the fractal orders of the fractal objects did not significantly alter the total enhancement, and the distribution of a near-field enhancement was essentially invariant to the changes in the angle of an incoming laser beam

  2. Reconstruction of solar spectral surface UV irradiances using radiative transfer simulations.

    Science.gov (United States)

    Lindfors, Anders; Heikkilä, Anu; Kaurola, Jussi; Koskela, Tapani; Lakkala, Kaisa

    2009-01-01

    UV radiation exerts several effects concerning life on Earth, and spectral information on the prevailing UV radiation conditions is needed in order to study each of these effects. In this paper, we present a method for reconstruction of solar spectral UV irradiances at the Earth's surface. The method, which is a further development of an earlier published method for reconstruction of erythemally weighted UV, relies on radiative transfer simulations, and takes as input (1) the effective cloud optical depth as inferred from pyranometer measurements of global radiation (300-3000 nm); (2) the total ozone column; (3) the surface albedo as estimated from measurements of snow depth; (4) the total water vapor column; and (5) the altitude of the location. Reconstructed daily cumulative spectral irradiances at Jokioinen and Sodankylä in Finland are, in general, in good agreement with measurements. The mean percentage difference, for instance, is mostly within +/-8%, and the root mean square of the percentage difference is around 10% or below for wavelengths over 310 nm and daily minimum solar zenith angles (SZA) less than 70 degrees . In this study, we used pseudospherical radiative transfer simulations, which were shown to improve the performance of our method under large SZA (low Sun).

  3. Full Coupling Between the Atmosphere, Surface, and Subsurface for Integrated Hydrologic Simulation

    Science.gov (United States)

    Davison, Jason Hamilton; Hwang, Hyoun-Tae; Sudicky, Edward A.; Mallia, Derek V.; Lin, John C.

    2018-01-01

    An ever increasing community of earth system modelers is incorporating new physical processes into numerical models. This trend is facilitated by advancements in computational resources, improvements in simulation skill, and the desire to build numerical simulators that represent the water cycle with greater fidelity. In this quest to develop a state-of-the-art water cycle model, we coupled HydroGeoSphere (HGS), a 3-D control-volume finite element surface and variably saturated subsurface flow model that includes evapotranspiration processes, to the Weather Research and Forecasting (WRF) Model, a 3-D finite difference nonhydrostatic mesoscale atmospheric model. The two-way coupled model, referred to as HGS-WRF, exchanges the actual evapotranspiration fluxes and soil saturations calculated by HGS to WRF; conversely, the potential evapotranspiration and precipitation fluxes from WRF are passed to HGS. The flexible HGS-WRF coupling method allows for unique meshes used by each model, while maintaining mass and energy conservation between the domains. Furthermore, the HGS-WRF coupling implements a subtime stepping algorithm to minimize computational expense. As a demonstration of HGS-WRF's capabilities, we applied it to the California Basin and found a strong connection between the depth to the groundwater table and the latent heat fluxes across the land surface.

  4. Simulation of surface crack initiation induced by slip localization and point defects kinetics

    International Nuclear Information System (INIS)

    Sauzay, Maxime; Liu, Jia; Rachdi, Fatima

    2014-01-01

    Crack initiation along surface persistent slip bands (PSBs) has been widely observed and modelled. Nevertheless, from our knowledge, no physically-based fracture modelling has been proposed and validated with respect to the numerous recent experimental data showing the strong relationship between extrusion and microcrack initiation. The whole FE modelling accounts for: - localized plastic slip in PSBs; - production and annihilation of vacancies induced by cyclic slip. If temperature is high enough, point defects may diffuse in the surrounding matrix due to large concentration gradients, allowing continuous extrusion growth in agreement with Polak's model. At each cycle, the additional atoms diffusing from the matrix are taken into account by imposing an incremental free dilatation; - brittle fracture at the interfaces between PSBs and their surrounding matrix which is simulated using cohesive zone modelling. Any inverse fitting of parameter is avoided. Only experimental single crystal data are used such as hysteresis loops and resistivity values. Two fracture parameters are required: the {111} surface energy which depends on environment and the cleavage stress which is predicted by the universal binding energy relationship. The predicted extrusion growth curves agree rather well with the experimental data published for copper and the 316L steel. A linear dependence with respect to PSB length, thickness and slip plane angle is predicted in agreement with recent AFM measurement results. Crack initiation simulations predict fairly well the effects of PSB length and environment for copper single and poly-crystals. (authors)

  5. Molecular dynamics simulations of the DNA interaction with metallic nanoparticles and TiO2 surfaces

    International Nuclear Information System (INIS)

    Kholmurodov, Kh.T.; Krasavin, E.A.; Dushanov, E.B.; Hassan, H.K.; Galal, A.; ElHabashy, H.A.; Sweilam, N.H.; Yasuoka, K.

    2013-01-01

    The understanding of the mechanism of DNA interactions and binding with metallic nanoparticles (NPs) and surfaces represents a great interest in today's medicine applications due to diagnostic and treatment of oncology diseases. Recent experimental and simulation studies involve the DNA interaction with highly localized proton beams or metallic NPs (such as Ag, Au, etc.), aimed at targeted cancer therapy through the injection of metal micro- or nanoparticles into the tumor tissue with consequent local microwave or laser heating. The effects of mutational structure changes in DNA and protein structures could result in destroying of native chemical (hydrogen) bonds or, on the contrary, creating of new bonds that do not normally exist there. The cause of such changes might be the alteration of one or several nucleotides (in DNA) or the substitution of specific amino acid residues (in proteins) that can lead to the essential structural destabilization or unfolding. At the atomic or molecular level, the replacement of one nucleotide by another (in DNA double helices) or replacement of one amino acid residue by another (in proteins) cause essential modifications of the molecular force fields of the environment that break locally important hydrogen bonds underlying the structural stability of the biological molecules. In this work, the molecular dynamics(MD) simulations were performed for four DNA models and the flexibilities of the purine and pyrimidine nucleotides during the interaction process with the metallic NPs and TiO 2 surface were clarified

  6. Reactions and Surface Transformations of a Bone-Bioactive Material in a Simulated Microgravity Environment

    Science.gov (United States)

    Radin, S.; Ducheyne, P.; Ayyaswamy, P. S.

    1999-01-01

    A comprehensive program to investigate the expeditious in vitro formation of three-dimensional bone-like tissue is currently underway at the University of Pennsylvania. The study reported here forms a part of that program. Three-dimensional bone-like tissue structures may be grown under the simulated microgravity conditions of NASA designed Rotating Wall Bioreactor Vessels (RWV's). Such tissue growth will have wide clinical applications. In addition, an understanding of the fundamental changes that occur to bone cells under simulated microgravity would yield important information that will help in preventing or minimizing astronaut bone loss, a major health issue with travel or stay in space over long periods of time. The growth of three-dimensional bone-like tissue structures in RWV's is facilitated by the use of microcarriers which provide structural support. If the microcarrier material additionally promotes bone cell growth, then it is particularly advantageous to employ such microcarriers. We have found that reactive, bone-bioactive glass (BBG) is an attractive candidate for use as microcarrier material. Specifically, it has been found that BBG containing Ca- and P- oxides upregulates osteoprogenitor cells to osteoblasts. This effect on cells is preceded by BBG reactions in solution which result in the formation of a Ca-P surface layer. This surface further transforms to a bone-like mineral (i.e., carbonated crystalline hydroxyapatite (c-HA)). At normal gravity, time-dependent, immersion-induced BBG reactions and transformations are greatly affected both by variations in the composition of the milieu in which the glass is immersed and on the immersion conditions. However, the nature of BBG reactions and phase transformations under the simulated microgravity conditions of RWV's are unknown, and must be understood in order to successfully use BBG as microcarrier material in RWV'S. In this paper, we report some of our recent findings in this regard using

  7. Transfer of spatio-temporal multifractal properties of rainfall to simulated surface runoff

    Science.gov (United States)

    Gires, Auguste; Giangola-Murzyn, Agathe; Richard, Julien; Abbes, Jean-Baptiste; Tchiguirinskaia, Ioulia; Schertzer, Daniel; Willinger, Bernard; Cardinal, Hervé; Thouvenot, Thomas

    2014-05-01

    In this paper we suggest to use scaling laws and more specifically Universal Multifractals (UM) to analyse in a spatio-temporal framework both the radar rainfall and the simulated surface runoff. Such tools have been extensively used to analyse and simulate geophysical fields extremely variable over wide range of spatio-temporal scales such as rainfall, but have not often if ever been applied to surface runoff. Such novel combined analysis helps to improve the understanding of the rainfall-runoff relationship. Two catchments of the chair "Hydrology for resilient cities" sponsored by Véolia, and of the European Interreg IV RainGain project are used. They are both located in the Paris area: a 144 ha flat urban area in the Seine-Saint-Denis County, and a 250 ha urban area with a significant portion of forest located on a steep hillside of the Bièvre River. A fully distributed urban hydrological model currently under development called Multi-Hydro is implemented to represent the catchments response. It consists in an interacting core between open source software packages, each of them representing a portion of the water cycle in urban environment. The fully distributed model is tested with pixels of size 5, 10 and 20 m. In a first step the model is validated for three rainfall events that occurred in 2010 and 2011, for which the Météo-France radar mosaic with a resolution of 1 km in space and 5 min in time is available. These events generated significant surface runoff and some local flooding. The sensitivity of the model to the rainfall resolution is briefly checked by stochastically generating an ensemble of realistic downscaled rainfall fields (obtained by continuing the underlying cascade process which is observed on the available range of scales) and inputting them into the model. The impact is significant on both the simulated sewer flow and surface runoff. Then rainfall fields are generated with the help of discrete multifractal cascades and inputted in the

  8. Impact of Vegetation Cover Fraction Parameterization schemes on Land Surface Temperature Simulation in the Tibetan Plateau

    Science.gov (United States)

    Lv, M.; Li, C.; Lu, H.; Yang, K.; Chen, Y.

    2017-12-01

    The parameterization of vegetation cover fraction (VCF) is an important component of land surface models. This paper investigates the impacts of three VCF parameterization schemes on land surface temperature (LST) simulation by the Common Land Model (CoLM) in the Tibetan Plateau (TP). The first scheme is a simple land cover (LC) based method; the second one is based on remote sensing observation (hereafter named as RNVCF) , in which multi-year climatology VCFs is derived from Moderate-resolution Imaging Spectroradiometer (MODIS) NDVI (Normalized Difference Vegetation Index); the third VCF parameterization scheme derives VCF from the LAI simulated by LSM and clump index at every model time step (hereafter named as SMVCF). Simulated land surface temperature(LST) and soil temperature by CoLM with three VCF parameterization schemes were evaluated by using satellite LST observation and in situ soil temperature observation, respectively, during the period of 2010 to 2013. The comparison against MODIS Aqua LST indicates that (1) CTL produces large biases for both four seasons in early afternoon (about 13:30, local solar time), while the mean bias in spring reach to 12.14K; (2) RNVCF and SMVCF reduce the mean bias significantly, especially in spring as such reduce is about 6.5K. Surface soil temperature observed at 5 cm depth from three soil moisture and temperature monitoring networks is also employed to assess the skill of three VCF schemes. The three networks, crossing TP from West to East, have different climate and vegetation conditions. In the Ngari network, located in the Western TP with an arid climate, there are not obvious differences among three schemes. In Naqu network, located in central TP with a semi-arid climate condition, CTL shows a severe overestimates (12.1 K), but such overestimations can be reduced by 79% by RNVCF and 87% by SMVCF. In the third humid network (Maqu in eastern TP), CoLM performs similar to Naqu. However, at both Naqu and Maqu networks

  9. Early stage oxynitridation process of Si(001) surface by NO gas: Reactive molecular dynamics simulation study

    International Nuclear Information System (INIS)

    Cao, Haining; Kim, Seungchul; Lee, Kwang-Ryeol; Srivastava, Pooja; Choi, Keunsu

    2016-01-01

    Initial stage of oxynitridation process of Si substrate is of crucial importance in fabricating the ultrathin gate dielectric layer of high quality in advanced MOSFET devices. The oxynitridation reaction on a relaxed Si(001) surface is investigated via reactive molecular dynamics (MD) simulation. A total of 1120 events of a single nitric oxide (NO) molecule reaction at temperatures ranging from 300 to 1000 K are statistically analyzed. The observed reaction kinetics are consistent with the previous experimental or calculation results, which show the viability of the reactive MD technique to study the NO dissociation reaction on Si. We suggest the reaction pathway for NO dissociation that is characterized by the inter-dimer bridge of a NO molecule as the intermediate state prior to NO dissociation. Although the energy of the inter-dimer bridge is higher than that of the intra-dimer one, our suggestion is supported by the ab initio nudged elastic band calculations showing that the energy barrier for the inter-dimer bridge formation is much lower. The growth mechanism of an ultrathin Si oxynitride layer is also investigated via consecutive NO reactions simulation. The simulation reveals the mechanism of self-limiting reaction at low temperature and the time evolution of the depth profile of N and O atoms depending on the process temperature, which would guide to optimize the oxynitridation process condition.

  10. Early stage oxynitridation process of Si(001) surface by NO gas: Reactive molecular dynamics simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Haining; Kim, Seungchul; Lee, Kwang-Ryeol, E-mail: krlee@kist.re.kr [Computational Science Research Center, Korea Institute of Science and Technology, 5, Hwarangno 14-gil, Seongbuk-gu, Seoul 02792 (Korea, Republic of); Department of Nanomaterial Science and Technology, Korea University of Science and Technology, 217 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Srivastava, Pooja; Choi, Keunsu [Computational Science Research Center, Korea Institute of Science and Technology, 5, Hwarangno 14-gil, Seongbuk-gu, Seoul 02792 (Korea, Republic of)

    2016-03-28

    Initial stage of oxynitridation process of Si substrate is of crucial importance in fabricating the ultrathin gate dielectric layer of high quality in advanced MOSFET devices. The oxynitridation reaction on a relaxed Si(001) surface is investigated via reactive molecular dynamics (MD) simulation. A total of 1120 events of a single nitric oxide (NO) molecule reaction at temperatures ranging from 300 to 1000 K are statistically analyzed. The observed reaction kinetics are consistent with the previous experimental or calculation results, which show the viability of the reactive MD technique to study the NO dissociation reaction on Si. We suggest the reaction pathway for NO dissociation that is characterized by the inter-dimer bridge of a NO molecule as the intermediate state prior to NO dissociation. Although the energy of the inter-dimer bridge is higher than that of the intra-dimer one, our suggestion is supported by the ab initio nudged elastic band calculations showing that the energy barrier for the inter-dimer bridge formation is much lower. The growth mechanism of an ultrathin Si oxynitride layer is also investigated via consecutive NO reactions simulation. The simulation reveals the mechanism of self-limiting reaction at low temperature and the time evolution of the depth profile of N and O atoms depending on the process temperature, which would guide to optimize the oxynitridation process condition.

  11. A flexible hydrological warning system in Denmark for real-time surface water and groundwater simulations

    Science.gov (United States)

    He, Xin; Stisen, Simon; Wiese, Marianne B.; Jørgen Henriksen, Hans

    2015-04-01

    In Denmark, increasing focus on extreme weather events has created considerable demand for short term forecasts and early warnings in relation to groundwater and surface water flooding. The Geological Survey of Denmark and Greenland (GEUS) has setup, calibrated and applied a nationwide water resources model, the DK-Model, primarily for simulating groundwater and surface water flows and groundwater levels during the past 20 years. So far, the DK-model has only been used in offline historical and future scenario simulations. Therefore, challenges arise in operating such a model for online forecasts and early warnings, which requires access to continuously updated observed climate input data and forecast data of precipitation, temperature and global radiation for the next 48 hours or longer. GEUS has a close collaboration with the Danish Meteorological Institute in order to test and enable this data input for the DK model. Due to the comprehensive physical descriptions of the DK-Model, the simulation results can potentially be any component of the hydrological cycle within the models domain. Therefore, it is important to identify which results need to be updated and saved in the real-time mode, since it is not computationally economical to save every result considering the heavy load of data. GEUS have worked closely with the end-users and interest groups such as water planners and emergency managers from the municipalities, water supply and waste water companies, consulting companies and farmer organizations, in order to understand their possible needs for real time simulation and monitoring of the nationwide water cycle. This participatory process has been supported by a web based questionnaire survey, and a workshop that connected the model developers and the users. For qualifying the stakeholder engagement, GEUS has selected a representative catchment area (Skjern River) for testing and demonstrating a prototype of the web based hydrological warning system at the

  12. Simulation of time-dependent free-surface Navier-Stokes flows

    International Nuclear Information System (INIS)

    Muldowney, G.P.

    1989-01-01

    Two numerical methods for simulation of time-dependent free-surface Navier-Stokes flows are developed. Both techniques are based on semi-implicit time advancement of the momentum equations, integral formulation of the spatial problem at each timestep, and spectral-element discretization to solve the resulting integral equation. Central to each algorithm is a boundary-specific solution step which permits the spatial treatment in two dimensions to be performed in O(N 3 ) operations per timestep despite the presence of deforming geometry. The first approach is a domain-integral formulation involving integrals over the entire flow domain of kernel functions which arise in time-differencing the Navier-Stokes equations. The second is a particular-solution formulation which replaces domain integration with an iterative scheme to generate particular velocity and pressure fields on individual elements, followed by a patching step to produce a particular solution continuous over the full domain. Two of the most difficult aspects of viscous free-surface flow simulations, namely time-dependent geometry and nontrivial boundary conditions, are well accommodated by these integral equation techniques. In addition the methods offer spectral accuracy in space and admit arbitrarily high-order discretization in time. For large-scale computations and/or long-term time advancement the domain-integral algorithm must be executed on a supercomputer to deliver results in reasonable processing time. A detailed simulation of gas liquid flow with full resolution of the free phase boundary requires approximately five CPU hours at 80 megaflops

  13. Greenland ice sheet surface mass balance: evaluating simulations and making projections with regional climate models

    Directory of Open Access Journals (Sweden)

    J. G. L. Rae

    2012-11-01

    Full Text Available Four high-resolution regional climate models (RCMs have been set up for the area of Greenland, with the aim of providing future projections of Greenland ice sheet surface mass balance (SMB, and its contribution to sea level rise, with greater accuracy than is possible from coarser-resolution general circulation models (GCMs. This is the first time an intercomparison has been carried out of RCM results for Greenland climate and SMB. Output from RCM simulations for the recent past with the four RCMs is evaluated against available observations. The evaluation highlights the importance of using a detailed snow physics scheme, especially regarding the representations of albedo and meltwater refreezing. Simulations with three of the RCMs for the 21st century using SRES scenario A1B from two GCMs produce trends of between −5.5 and −1.1 Gt yr−2 in SMB (equivalent to +0.015 and +0.003 mm sea level equivalent yr−2, with trends of smaller magnitude for scenario E1, in which emissions are mitigated. Results from one of the RCMs whose present-day simulation is most realistic indicate that an annual mean near-surface air temperature increase over Greenland of ~ 2°C would be required for the mass loss to increase such that it exceeds accumulation, thereby causing the SMB to become negative, which has been suggested as a threshold beyond which the ice sheet would eventually be eliminated.

  14. Impact of improved Greenland ice sheet surface representation in the NASA GISS ModelE2 GCM on simulated surface mass balance and regional climate

    Science.gov (United States)

    Alexander, P. M.; LeGrande, A. N.; Fischer, E.; Tedesco, M.; Kelley, M.; Schmidt, G. A.; Fettweis, X.

    2017-12-01

    Towards achieving coupled simulations between the NASA Goddard Institute for Space Studies (GISS) ModelE2 general circulation model (GCM) and ice sheet models (ISMs), improvements have been made to the representation of the ice sheet surface in ModelE2. These include a sub-grid-scale elevation class scheme, a multi-layer snow model, a time-variable surface albedo scheme, and adjustments to parameterization of sublimation/evaporation. These changes improve the spatial resolution and physical representation of the ice sheet surface such that the surface is represented at a level of detail closer to that of Regional Climate Models (RCMs). We assess the impact of these changes on simulated Greenland Ice Sheet (GrIS) surface mass balance (SMB). We also compare ModelE2 simulations in which winds have been nudged to match the European Center for Medium-Range Weather Forecasts (ECMWF) ERA-Interim reanalysis with simulations from the Modèle Atmosphérique Régionale (MAR) RCM forced by the same reanalysis. Adding surface elevation classes results in a much higher spatial resolution representation of the surface necessary for coupling with ISMs, but has a negligible impact on overall SMB. Implementing a variable surface albedo scheme increases melt by 100%, bringing it closer to melt simulated by MAR. Adjustments made to the representation of topography-influenced surface roughness length in ModelE2 reduce a positive bias in evaporation relative to MAR. We also examine the impact of changes to the GrIS surface on regional atmospheric and oceanic climate in coupled ocean-atmosphere simulations with ModelE2, finding a general warming of the Arctic due to a warmer GrIS, and a cooler North Atlantic in scenarios with doubled atmospheric CO2 relative to pre-industrial levels. The substantial influence of changes to the GrIS surface on the oceans and atmosphere highlight the importance of including these processes in the GCM, in view of potential feedbacks between the ice sheet

  15. VNIR Reflectance and MIR Emissivity Spectra of Ordinary Chondrite Meteorites Under Simulated Asteroid Surface Conditions

    Science.gov (United States)

    Gemma, M.; Shirley, K.; Glotch, T. D.; Ebel, D. S. S.

    2017-12-01

    Recent missions have revealed much about the nature of many Near-Earth asteroids, including the NEAR-Shoemaker target 433 Eros and Hayabusa target 25142 Itokawa. Both asteroids appear to have mineralogy consistent with ordinary chondrite meteorites. Laboratory spectral analysis of well-constrained meteorite samples can be employed as a reference tool to characterize and constrain data from current and future asteroid studies. A sample set of ordinary chondrite meteorites was chosen from the collection at the American Museum of Natural History. Six meteorites, spanning groups H, L, and LL, were prepared at four different size fractions (25-63 μm, 63-90 μm, 90-125 μm, 125-250 μm) in an attempt to mimic regolith known to exist on asteroids such as 433 Eros and 25142 Itokawa. At the Center for Planetary Exploration at Stony Brook University, spectra of the ordinary chondrite material were measured under simulated asteroid surface conditions ( 10-6 mbar, 150 K chamber temperature, low intensity illumination). The samples were used in two experiments: one measuring visible and near-infrared (VNIR) reflectance spectra at a series of temperatures, and the other measuring mid-infrared (MIR) emissivity spectra. The emissivity measurements require accurate simulation of the thermal environment within asteroid regolith, achieved by inducing a thermal gradient within the sample that results in a surface brightness temperature around 323 K (similar to the surface of 25142 Itokawa). Mid-IR emissivity spectra were collected for each sample at a surface temperature of 323 K, and reflectance spectra were collected in increments of 10 K, over the range 283 K to 373 K. Preliminary VNIR spectra show spreads similar to those seen in Hinrichs and Lucey (2002). Preliminary MIR emissivity spectra suggest that under asteroid surface conditions, the position of the Christiansen feature shifts to shorter wavelengths and emissivity is lower in the Reststrahlen bands when compared to

  16. NUMERICAL MODELING AND DYNAMIC SIMULATIONS OF NONLINEAR AEROTHERMOELASTIC OF A DOUBLE-WEDGE LIFTING SURFACE

    Directory of Open Access Journals (Sweden)

    ARIF A. EBRAHEEM AL-QASSAR

    2008-12-01

    Full Text Available The design of the re-entry space vehicles and high-speed aircrafts requires special attention to the nonlinear thermoelastic and aerodynamic instabilities of their structural components. The thermal effects are important since temperature environment influences significantly the static and dynamic behaviors of flight structures in supersonic/hypersonic regimes. To contribute to the understanding of dynamic behavior of these “hot” structures, a double-wedge lifting surface with combined freeplay and cubic stiffening structural nonlinearities in both plunging and pitching degrees-of-freedom operating in supersonic/hypersonic flight speed regimes has been analyzed. A third order Piston Theory Aerodynamics is used to evaluate the applied nonlinear unsteady aerodynamic loads. The loss of torsional stiffness that may be incurred by lifting surfaces subjected to axial stresses induced by aerodynamic heating is also considered. The aerodynamic heating effect is estimated based on the adiabatic wall temperature due to high speed airstreams. Modelling issues as well as simulation results have been presented and pertinent conclusions outlined. It is highlighted that a serious loss of torsional stiffness may induce the dynamic instability of the lifting surfaces. The influence of various parameters such as flight condition, thickness ratio, freeplays and pitching stiffness nonlinearity are also discussed.

  17. Analyzing the Molecular Kinetics of Water Spreading on Hydrophobic Surfaces via Molecular Dynamics Simulation.

    Science.gov (United States)

    Zhao, Lei; Cheng, Jiangtao

    2017-09-07

    In this paper, we report molecular kinetic analyses of water spreading on hydrophobic surfaces via molecular dynamics simulation. The hydrophobic surfaces are composed of amorphous polytetrafluoroethylene (PTFE) with a static contact angle of ~112.4° for water. On the basis of the molecular kinetic theory (MKT), the influences of both viscous damping and solid-liquid retarding were analyzed in evaluating contact line friction, which characterizes the frictional force on the contact line. The unit displacement length on PTFE was estimated to be ~0.621 nm and is ~4 times as long as the bond length of C-C backbone. The static friction coefficient was found to be ~[Formula: see text] Pa·s, which is on the same order of magnitude as the dynamic viscosity of water, and increases with the droplet size. A nondimensional number defined by the ratio of the standard deviation of wetting velocity to the characteristic wetting velocity was put forward to signify the strength of the inherent contact line fluctuation and unveil the mechanism of enhanced energy dissipation in nanoscale, whereas such effect would become insignificant in macroscale. Moreover, regarding a liquid droplet on hydrophobic or superhydrophobic surfaces, an approximate solution to the base radius development was derived by an asymptotic expansion approach.

  18. Effect of Nonsmooth Nose Surface of the Projectile on Penetration Using DEM Simulation

    Directory of Open Access Journals (Sweden)

    Jing Han

    2017-01-01

    Full Text Available The nonsmooth body surface of the reptile in nature plays an important role in reduction of resistance and friction when it lives in a soil environment. To consider whether it was feasible for improving the performance of penetrating projectile we investigated the influence of the convex as one of nonsmooth surfaces for the nose of projectile. A numerical simulation study of the projectile against the concrete target was developed based on the discrete element method (DEM. The results show that the convex nose surface of the projectile is beneficial for reducing the penetration resistance greatly, which is also validated by the experiments. Compared to the traditional smooth nose structure, the main reason of difference is due to the local contact normal pressure, which increases dramatically due to the abrupt change of curvature caused by the convex at the same condition. Accordingly, the broken particles of the concrete target obtain more kinetic energy and their average radial flow velocities will drastically increase simultaneously, which is in favor of decreasing the interface friction and the compaction density of concrete target around the nose of projectile.

  19. Simulation of Nanowires on Metal Vicinal Surfaces: Effect of Growth Parameters and Energetic Barriers

    Science.gov (United States)

    Hamouda, Ajmi B. H.; Blel, Sonia; Einstein, T. L.

    2012-02-01

    Growing one-dimensional metal structures is an important task in the investigation of the electronic and magnetic properties of new devices. We used kinetic Monte-Carlo (kMC) method to simulate the formation of nanowires of several metallic and non-metallic adatoms on Cu and Pt vicinal surfaces. We found that mono-atomic chains form on step-edges due to energetic barriers (the so-called Ehrlich-shwoebel and exchange barriers) on step-edge. Creation of perfect wires is found to depend on growth parameters and binding energies. We measure the filling ratio of nanowires for different chemical species in a wide range of temperature and flux. Perfect wires were obtained at lower deposition rate for all tested adatoms, however we notice different temperature ranges. Our results were compared with experimental ones [Gambardella et al., Surf. Sci.449, 93-103 (2000), PRB 61, 2254-2262, (2000)]. We review the role of impurities in nanostructuring of surfaces [Hamouda et al., Phys. Rev. B 83, 035423, (2011)] and discuss the effect of their energetic barriers on the obtained quality of nanowires. Our work provides experimentalists with optimum growth parameters for the creation of a uniform distribution of wires on surfaces.

  20. Mathematical simulation of sediment and contaminant transport in surface waters. Annual report, October 1977--September 1978

    International Nuclear Information System (INIS)

    Onishi, Y.; Arnold, E.M.; Serne, R.J.; Cowan, C.E.; Thompson, F.L.; Mayer, D.W.

    1979-01-01

    Various pathways exist for exposure of humans and biota to radioactive materials released from nuclear facilities. Hydrologic transport (liquid pathway) is one element in the evaluation of the total radiation dose to man. Mathematical models supported by well-planned field data collection programs can be useful tools in assessing the hydrologic transport and ultimate fate of radionuclides. Radionuclides with high distribution coefficients or radionuclides in surface waters with high suspended sediment concentrations are, to a great extent, adsorbed by river and marine sediments. Thus, otherwise dilute contaminants are concentrated. Contaminated sediments may be deposited on the river and ocean beds creating a significant pathway to man. Contaminated bed sediment in turn may become a long-term source of pollution through desorption and resuspension. In order to assess migration and accumulation of radionuclides in surface waters, mathematical models must correctly simulate essential mechanisms of radionuclide transport. The objectives of this study were: (1) to conduct a critical review of (a) radionuclide transport models as well as sediment transport and representative water quality models in rivers, estuaries, oceans, lakes, and reservoirs, and (b) adsorption and desorption mechanisms of radionuclides with sediments in surface waters; (2) to synthesize a mathematical model capable of predicting short- and long-term transport and accumulation of radionuclides in marine environments

  1. Preferential superior surface motion in wear simulations of the Charité total disc replacement.

    Science.gov (United States)

    Goreham-Voss, Curtis M; Vicars, Rachel; Hall, Richard M; Brown, Thomas D

    2012-06-01

    Laboratory wear simulations of the dual-bearing surface Charité total disc replacement (TDR) are complicated by the non-specificity of the device's center of rotation (CoR). Previous studies have suggested that articulation of the Charité preferentially occurs at the superior-bearing surface, although it is not clear how sensitive this phenomenon is to lubrication conditions or CoR location. In this study, a computational wear model is used to study the articulation kinematics and wear of the Charité TDR. Implant wear was found to be insensitive to the CoR location, although seemingly non-physiologic endplate motion can result. Articulation and wear were biased significantly to the superior-bearing surface, even in the presence of significant perturbations of loading and friction. The computational wear model provides novel insight into the mechanics and wear of the Charité TDR, allowing for better interpretation of in vivo results, and giving useful insight for designing future laboratory physical tests.

  2. Molecular dynamic simulations of the high-speed copper nanoparticles collision with the aluminum surface

    Science.gov (United States)

    Pogorelko, V. V.; Mayer, A. E.

    2016-11-01

    With the use of the molecular dynamic simulations, we investigated the effect of the high-speed (500 m/s, 1000 m/s) copper nanoparticle impact on the mechanical properties of an aluminum surface. Dislocation analysis shows that a large number of dislocations are formed in the impact area; the total length of dislocations is determined not only by the speed and size of the incoming copper nanoparticle (kinetic energy of the nanoparticle), but by a temperature of the system as well. The dislocations occupy the whole area of the aluminum single crystal at high kinetic energy of the nanoparticle. With the decrease of the nanoparticle kinetic energy, the dislocation structures are formed in the near-surface layer; formation of the dislocation loops takes place. Temperature rise of the system (aluminum substrate + nanoparticle) reduces the total dislocation length in the single crystal of aluminum; there is deeper penetration of the copper atoms in the aluminum at high temperatures. Average energy of the nanoparticles and room temperature of the system are optimal for production of high-quality layers of copper on the aluminum surface.

  3. Numerical simulation of the observed near-surface East India Coastal Current on the continental slope

    Science.gov (United States)

    Mukherjee, A.; Shankar, D.; Chatterjee, Abhisek; Vinayachandran, P. N.

    2018-06-01

    We simulate the East India Coastal Current (EICC) using two numerical models (resolution 0.1° × 0.1°), an oceanic general circulation model (OGCM) called Modular Ocean Model and a simpler, linear, continuously stratified (LCS) model, and compare the simulated current with observations from moorings equipped with acoustic Doppler current profilers deployed on the continental slope in the western Bay of Bengal (BoB). We also carry out numerical experiments to analyse the processes. Both models simulate well the annual cycle of the EICC, but the performance degrades for the intra-annual and intraseasonal components. In a model-resolution experiment, both models (run at a coarser resolution of 0.25° × 0.25°) simulate well the currents in the equatorial Indian Ocean (EIO), but the performance of the high-resolution LCS model as well as the coarse-resolution OGCM, which is good in the EICC regime, degrades in the eastern and northern BoB. An experiment on forcing mechanisms shows that the annual EICC is largely forced by the local alongshore winds in the western BoB and remote forcing due to Ekman pumping over the BoB, but forcing from the EIO has a strong impact on the intra-annual EICC. At intraseasonal periods, local (equatorial) forcing dominates in the south (north) because the Kelvin wave propagates equatorward in the western BoB. A stratification experiment with the LCS model shows that changing the background stratification from EIO to BoB leads to a stronger surface EICC owing to strong coupling of higher order vertical modes with wind forcing for the BoB profiles. These high-order modes, which lead to energy propagating down into the ocean in the form of beams, are important only for the current and do not contribute significantly to the sea level.

  4. Virtual prototype simulation of hydraulic shovel kinematics for spatial characterization in surface mining operations

    Energy Technology Data Exchange (ETDEWEB)

    S. Frimpong; Y. Li [University of Missouri-Rolla, Rolla, MO (United States). Department of Mining and Nuclear Engineering

    2005-12-15

    Hydraulic shovels are large-capacity equipment for excavating and loading dump trucks in constrained surface mining environments. Kinematics simulation of such equipment allows mine planning engineers to plan, design and control their spatial environments to achieve operating safety and efficiency. In this study, a hydraulic shovel was modelled as a mechanical manipulator with five degrees of freedom comprising the crawler, upper, boom, stick, bucket and bucket door components. The model was captured in a schematic diagram consisting of a six-bar linkage using the symbolic notation of Denavit and Hartenberg (Ho and Sriwattanathmma 1989). Homogeneous transformation matrices were used to capture the spatial configuration between adjacent links. The forward kinematics method was used to formulate the kinematics equations by attaching Cartesian coordinates to the schematic shovel diagram. Based on the kinematics model, a 3D virtual prototype of the hydraulic shovel was built in the Automatic Dynamic Analysis of Mechanical Systems (ADAMS) environment to simulate the motions of the hydraulic shovel with selected time steps. The simulator was validated using real-world data with animation and numerical analysis of the digging, swinging and dumping motions of the shovel machinery. The superimposed display of the deployment of the hydraulic shovel in three phases allows a detailed motion examination of the system. The numerical results of linear and angular displacements of the bucket tip and bucket door can be used to analyse the kinematics motion of the hydraulic shovel for its optimization. This simulator provides a solid foundation for further dynamics modelling and dynamic hydraulic shovel performance studies.

  5. Ion-nanostructure interaction. Comparing simulation and experiment towards surface structuring using nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Holland-Moritz, Henry

    2016-10-18

    Nanotechnology is a buzzword in context of the proceeding miniaturization of devices and their components. Nanoparticles (NPs) can nowadays easily be synthesized from different material compositions by different chemical and physical processes. However, most of these techniques work close to or at the thermal equilibrium. One subsequent approach to tune materials beyond equilibrium conditions is ion beam irradiation. An important effect of this approach is sputtering. Sputtering is enhanced in NPs compared to their bulk counterparts due to their large surface-to-volume ratio, especially when the ion range matches the NP size. In this work, the sputtering effects of Ar{sup +} and Ga{sup +} ion irradiated Au nanoparticles are investigated in detail by Monte Carlo (MC) and molecular dynamics (MD) simulations and a variety of experiments. The sputtering of Ar{sup +} and Ga{sup +} irradiated Au NPs was investigated as a function of ion energy, NP size and impact parameter by the MC code iradina and MD code parcas. The simulation results are directly compared to experiments using high resolution scanning electron microscopy (SEM) of Au NPs on top of Si, whereat the sputter yields are significantly enhanced compared to the MC simulations. Additionally, the interaction of NPs and substrate were investigated by Rutherford backscatter spectrometry (RBS), atomic force microscopy (AFM) and scanning transmission electron microscopy (STEM). A new MC code was developed to study the redeposition of sputtered atoms of Ga{sup +} irradiated Au NP arrays on neighboring NPs. The redeposition can lead to growth of NPs with diameters of 1 nm in vicinity of ∝50 nm NP. These simulations are directly compared to an in situ experiment. Nanostructures, spherical NPs as well as nanowires (NWs) are used as irradiation masks to structure lithium niobate (LNO) using the ion beam enhanced etching (IBEE) technique. The aspect ratio of the obtained structures can be enhanced by a second IBEE step

  6. Beam Simulation Studies of Plasma-Surface Interactions in Fluorocarbon Etching of Silicon and Silicon Dioxide

    Science.gov (United States)

    Gray, David C.

    1992-01-01

    A molecular beam apparatus has been constructed which allows the synthesis of dominant species fluxes to a wafer surface during fluorocarbon plasma etching. These species include atomic F as the primary etchant, CF _2 as a potential polymer forming precursor, and Ar^{+} or CF _{rm x}^{+} type ions. Ionic and neutral fluxes employed are within an order of magnitude of those typical of fluorocarbon plasmas and are well characterized through the use of in -situ probes. Etching yields and product distributions have been measured through the use of in-situ laser interferometry and line-of-sight mass spectrometry. XPS studies of etched surfaces were performed to assess surface chemical bonding states and average surface stoichiometry. A useful design guide was developed which allows optimal design of straight -tube molecular beam dosers in the collisionally-opaque regime. Ion-enhanced surface reaction kinetics have been studied as a function of the independently variable fluxes of free radicals and ions, as well as ion energy and substrate temperature. We have investigated the role of Ar ^{+} ions in enhancing the chemistries of F and CF_2 separately, and in combination on undoped silicon and silicon dioxide surfaces. We have employed both reactive and inert ions in the energy range most relevant to plasma etching processes, 20-500 eV, through the use of Kaufman and ECR type ion sources. The effect of increasing ion energy on the etching of fluorine saturated silicon and silicon dioxide surfaces was quantified through extensions of available low energy physical sputtering theory. Simple "site"-occupation models were developed for the quantification of the ion-enhanced fluorine etching kinetics in these systems. These models are suitable for use in topography evolution simulators (e.g. SAMPLE) for the predictive modeling of profile evolution in non-depositing fluorine-based plasmas such as NF_3 and SF_6. (Copies available exclusively from MIT Libraries, Rm. 14

  7. Nitrate Accumulation and Leaching in Surface and Ground Water Based on Simulated Rainfall Experiments

    Science.gov (United States)

    Wang, Hong; Gao, Jian-en; Li, Xing-hua; Zhang, Shao-long; Wang, Hong-jie

    2015-01-01

    To evaluate the process of nitrate accumulation and leaching in surface and ground water, we conducted simulated rainfall experiments. The experiments were performed in areas of 5.3 m2 with bare slopes of 3° that were treated with two nitrogen fertilizer inputs, high (22.5 g/m2 NH4NO3) and control (no fertilizer), and subjected to 2 hours of rainfall, with. From the 1st to the 7th experiments, the same content of fertilizer mixed with soil was uniformly applied to the soil surface at 10 minutes before rainfall, and no fertilizer was applied for the 8th through 12th experiments. Initially, the time-series nitrate concentration in the surface flow quickly increased, and then it rapidly decreased and gradually stabilized at a low level during the fertilizer experiments. The nitrogen loss in the surface flow primarily occurred during the first 18.6 minutes of rainfall. For the continuous fertilizer experiments, the mean nitrate concentrations in the groundwater flow remained at less than 10 mg/L before the 5th experiment, and after the 7th experiment, these nitrate concentrations were greater than 10 mg/L throughout the process. The time-series process of the changing concentration in the groundwater flow exhibited the same parabolic trend for each fertilizer experiment. However, the time at which the nitrate concentration began to change lagged behind the start time of groundwater flow by approximately 0.94 hours on average. The experiments were also performed with no fertilizer. In these experiments, the mean nitrate concentration of groundwater initially increased continuously, and then, the process exhibited the same parabolic trend as the results of the fertilization experiments. The nitrate concentration decreased in the subsequent experiments. Eight days after the 12 rainfall experiments, 50.53% of the total nitrate applied remained in the experimental soil. Nitrate residues mainly existed at the surface and in the bottom soil layers, which represents a

  8. Comparative simulations of microjetting using atomistic and continuous approaches in the presence of viscosity and surface tension

    Science.gov (United States)

    Durand, O.; Jaouen, S.; Soulard, L.; Heuzé, O.; Colombet, L.

    2017-10-01

    We compare, at similar scales, the processes of microjetting and ejecta production from shocked roughened metal surfaces by using atomistic and continuous approaches. The atomistic approach is based on very large scale molecular dynamics (MD) simulations with systems containing up to 700 × 106 atoms. The continuous approach is based on Eulerian hydrodynamics simulations with adaptive mesh refinement; the simulations take into account the effects of viscosity and surface tension, and the equation of state is calculated from the MD simulations. The microjetting is generated by shock-loading above its fusion point a three-dimensional tin crystal with an initial sinusoidal free surface perturbation, the crystal being set in contact with a vacuum. Several samples with homothetic wavelengths and amplitudes of defect are simulated in order to investigate the influence of viscosity and surface tension of the metal. The simulations show that the hydrodynamic code reproduces with very good agreement the profiles, calculated from the MD simulations, of the ejected mass and velocity along the jet. Both codes also exhibit a similar fragmentation phenomenology of the metallic liquid sheets ejected, although the fragmentation seed is different. We show in particular, that it depends on the mesh size in the continuous approach.

  9. Efficient uncertainty quantification in fully-integrated surface and subsurface hydrologic simulations

    Science.gov (United States)

    Miller, K. L.; Berg, S. J.; Davison, J. H.; Sudicky, E. A.; Forsyth, P. A.

    2018-01-01

    Although high performance computers and advanced numerical methods have made the application of fully-integrated surface and subsurface flow and transport models such as HydroGeoSphere common place, run times for large complex basin models can still be on the order of days to weeks, thus, limiting the usefulness of traditional workhorse algorithms for uncertainty quantification (UQ) such as Latin Hypercube simulation (LHS) or Monte Carlo simulation (MCS), which generally require thousands of simulations to achieve an acceptable level of accuracy. In this paper we investigate non-intrusive polynomial chaos for uncertainty quantification, which in contrast to random sampling methods (e.g., LHS and MCS), represents a model response of interest as a weighted sum of polynomials over the random inputs. Once a chaos expansion has been constructed, approximating the mean, covariance, probability density function, cumulative distribution function, and other common statistics as well as local and global sensitivity measures is straightforward and computationally inexpensive, thus making PCE an attractive UQ method for hydrologic models with long run times. Our polynomial chaos implementation was validated through comparison with analytical solutions as well as solutions obtained via LHS for simple numerical problems. It was then used to quantify parametric uncertainty in a series of numerical problems with increasing complexity, including a two-dimensional fully-saturated, steady flow and transient transport problem with six uncertain parameters and one quantity of interest; a one-dimensional variably-saturated column test involving transient flow and transport, four uncertain parameters, and two quantities of interest at 101 spatial locations and five different times each (1010 total); and a three-dimensional fully-integrated surface and subsurface flow and transport problem for a small test catchment involving seven uncertain parameters and three quantities of interest at

  10. A contribution to the electron-beam surface-melting process of metallic materials. Numerical simulation and experimental verification

    International Nuclear Information System (INIS)

    Bruckner, A.

    1996-08-01

    For the optimization of the surface melting process it is necessary to make many different experiments. Therefore, the simulation of the surface melting process becomes a major role for the optimization. Most of the simulations, developed for the laser surface melting process, are not usable for the electron-beam surface melting process, because of the different energy input and the possibility of high frequent movement of the electron-beam. In this thesis, a calculation model for electron-beam surface melting is presented. For this numerical simulation a variable volume source is used, which moves in axial direction with the same velocity as the vapor cavity into the material. With this calculation model also the high frequent movement of the electron-beam may be taken into account. The electron-beam diameter is measured with a method of drilling holes with short electron-beam pulses in thin foils. The diameter of the holes depends on the pulse length and reaches a maximal value, which is used for the diameter of the volume source in the calculation. The crack-formation, seen in many treated surfaces, is examined with the Acoustic-Emission Testing. The possibilities of the electron-beam surface melting process are shown with some experiments for different requirements of the treated surfaces, like increasing the hardness, reducing the porosity of a sintered material and the alloying of tin in an aluminium-silicon surface. (author)

  11. Detection analysis of surface hydroxyl active sites and simulation calculation of the surface dissociation constants of aqueous diatomite suspensions

    Science.gov (United States)

    Ma, Shu-Cui; Wang, Zhi-Gang; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

    2015-02-01

    The surface properties of the diatomite were investigated using nitrogen adsorption/deadsorption isotherms, TG-DSC, FTIR, and XPS, and surface protonation-deprotonation behavior was determined by continuous acid-base potentiometric titration technique. The diatomite sample with porous honeycomb structure has a BET specific surface area of 10.21 m2/g and large numbers of surface hydroxyl functional groups (i.e. tbnd Si-OH, tbnd Fe-OH, and tbnd Al-OH). These surface hydroxyls can be protonated or deprotonated depending on the pH of the suspension. The experimental potentiometric data in two different ionic strength solutions (0.1 and 0.05 mol/L NaCl) were fitted using ProtoFit GUI V2.1 program by applying diffuse double layer model (DLM) with three amphoteric sites and minimizing the sum of squares between a dataset derivative function and a model derivative function. The optimized surface parameters (i.e. surface dissociation constants (log K1, log K2) and surface site concentrations (log C)) of the sample were obtained. Based on the optimized surface parameters, the surface species distribution was calculated using Program-free PHREEQC 3.1.2. Thus, this work reveals considerable new information about surface protonation-deprotonation processes and surface adsorptive behaviors of the diatomite, which helps us to effectively use the cheap and cheerful diatomite clay adsorbent.

  12. Location of unaccessible implant surface areas during debridement in simulated peri-implantitis therapy.

    Science.gov (United States)

    Steiger-Ronay, Valerie; Merlini, Andrea; Wiedemeier, Daniel B; Schmidlin, Patrick R; Attin, Thomas; Sahrmann, Philipp

    2017-11-28

    An in vitro model for peri-implantitis treatment was used to identify areas that are clinically difficult to clean by analyzing the pattern of residual stain after debridement with commonly employed instruments. Original data from two previous publications, which simulated surgical (SA) and non-surgical (NSA) implant debridement on two different implant systems respectively, were reanalyzed regarding the localization pattern of residual stains after instrumentation. Two blinded examiners evaluated standardized photographs of 360 initially ink-stained dental implants, which were cleaned at variable defect angulations (30, 60, or 90°), using different instrument types (Gracey curette, ultrasonic scaler or air powder abrasive device) and treatment approaches (SA or NSA). Predefined implant surface areas were graded for residual stain using scores ranging from one (stain-covered) to six (clean). Score differences between respective implant areas were tested for significance by pairwise comparisons using Wilcoxon-rank-sum-tests with a significance level α = 5%. Best scores were found at the machined surface areas (SA: 5.58 ± 0.43, NSA: 4.76 ± 1.09), followed by the tips of the threads (SA: 4.29 ± 0.44, NSA: 4.43 ± 0.61), and areas between threads (SA: 3.79 ± 0.89, NSA: 2.42 ± 1.11). Apically facing threads were most difficult to clean (SA: 1.70 ± 0.92, NSA: 2.42 ± 1.11). Here, air powder abrasives provided the best results. Machined surfaces at the implant shoulder were well accessible and showed least amounts of residual stain. Apically facing thread surfaces constituted the area with most residual stain regardless of treatment approach.

  13. Performance of surface on ultrafine grained Ti-0.2Pd in simulated body fluid

    Science.gov (United States)

    Wang, Xiu-Lai; Zhou, Qing; Yang, Kai; Zou, Cheng-Hong; Wang, Lei

    2018-03-01

    Ti-0.2 wt% Pd (Ti-0.2Pd) which has high crevice corrosion resistance is highlighted for implant applications. In this work, Ti-0.2Pd alloy is subjected to equal channel angular pressing (ECAP) for grain refinement. The effect of the microstructure on the surface performance of Ti-0.2Pd in a simulated body fluid (SBF) adding bovine serum albumin is investigated. Heat-treated specimens including furnace cooled (FC) and water quenched (WQ) specimens are also prepared for comparison. The corrosion resistance is evaluated by the tests of potentiodynamic polarization and the measurement of electrochemical impedance spectroscopy (EIS). The composition and morphology of the surface after exposing to SBF 60 days were examined by X-ray photoelectronic spectroscopy (XPS), scanning electron microscope (SEM) and energy dispersive spectrometer (EDS). The results show an ultrafine grained microstructure with average grain size of 3.6 μm is obtained after ECAP. The ultrafine grained Ti-0.2Pd has higher corrosion resistance than AR(as-received), WQ and FC specimens. The quantitative analysis of the surface shows larger numbers of precipitations formed on ECAPed Ti-0.2Pd than those formed on heat-treated. The precipitation contains more oxygen, calcium and phosphorus on ECAPed specimen than those on other specimens. The Ca:P ratio is ranged from 1:0.7 to 1:4.4, no dependent on the specimen type. A larger Warburg resistance is obtained on WQ specimen indicating a denser layer formation on WQ specimen. The precipitation formed on WQ specimens is the least among three kinds of specimens. Palladium is not found on the surfaces after exposure to SBF.

  14. Effects of whitening dentifrice on yttria-stabilized tetragonal zirconia polycrystal surfaces after simulating brushing.

    Science.gov (United States)

    Pinelli, Lígia Antunes Pereira; Gimenes Olbera, Amanda Caroline; Candido, Lucas Miguel; Miotto, Larissa Natiele; Antonio, Selma Gutierrez; Fais, Laiza Maria Grassi

    2017-01-01

    The changes that occur after brushing yttria-stabilized tetragonal zirconia polycrystal (Y-TZP) are unknown. These changes may favor the retention of microorganisms and chemisorption of water, impairing its longevity. The purpose of this in vitro study was to evaluate the effects of a whitening dentifrice on Y-TZP surfaces after simulating 10 years of brushing. Seventy-two bar-shaped specimens (20×4×1.2 mm) were divided into 4 groups: storage in distilled water (SW, control), brushing with distilled water (BW), brushing with dentifrice (BD), and brushing with whitening dentifrice (BWD). Brushing was conducted using a linear brushing machine (878400 cycles, 0.98 N, soft toothbrush). The mean roughness (Ra) was analyzed with a profilometer and the superficial topography with scanning electron microscopy (SEM) at baseline and after treatment. Crystalline phases were characterized using x-ray diffraction. Baseline and posttreatment Ra were analyzed using the 1-way ANOVA and Tukey HSD multiple comparison test; the paired t test was used for intragroup comparison (all α=.05). The Ra (μm) means (before/after treatment) were SW 0.28/0.28; BW 0.32/0.31; BD 0.28/0.36; BWD 0.30/0.20. No statistically significant difference was found for Ra at baseline (P=.108) than for posttreatment results (P<.001); the BD group had higher Ra values when compared with baseline (P=.019); the BWD group had the lowest values (P<.001). The BD surfaces showed pronounced scratches and detachment of the surface, while BWD showed smoother surfaces; similar crystallographic results among groups were observed. Brushing Y-TZP with conventional dentifrice increased roughness, while brushing with whitening dentifrice reduced roughness. Neither dentifrice changed the crystallographic phases after brushing. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

  15. Improve observation-based ground-level ozone spatial distribution by compositing satellite and surface observations: A simulation experiment

    Science.gov (United States)

    Zhang, Yuzhong; Wang, Yuhang; Crawford, James; Cheng, Ye; Li, Jianfeng

    2018-05-01

    Obtaining the full spatial coverage of daily surface ozone fields is challenging because of the sparsity of the surface monitoring network and the difficulty in direct satellite retrievals of surface ozone. We propose an indirect satellite retrieval framework to utilize the information from satellite-measured column densities of tropospheric NO2 and CH2O, which are sensitive to the lower troposphere, to derive surface ozone fields. The method is applicable to upcoming geostationary satellites with high-quality NO2 and CH2O measurements. To prove the concept, we conduct a simulation experiment using a 3-D chemical transport model for July 2011 over the eastern US. The results show that a second order regression using both NO2 and CH2O column densities can be an effective predictor for daily maximum 8-h average ozone. Furthermore, this indirect retrieval approach is shown to be complementary to spatial interpolation of surface observations, especially in regions where the surface sites are sparse. Combining column observations of NO2 and CH2O with surface site measurements leads to an improved representation of surface ozone over simple kriging, increasing the R2 value from 0.53 to 0.64 at a surface site distance of 252 km. The improvements are even more significant with larger surface site distances. The simulation experiment suggests that the indirect satellite retrieval technique can potentially be a useful tool to derive the full spatial coverage of daily surface ozone fields if satellite observation uncertainty is moderate.

  16. Combined quantum chemistry and Monte Carlo simulation of competitive adsorption of O{sub 2} and OH on Pt surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Li, Rui, E-mail: ruililcu@gmail.com [Department of Chemistry, Liaocheng University, Liaocheng 252059 (China); Li, Haibo; Xu, Shuling [Department of Chemistry, Liaocheng University, Liaocheng 252059 (China); Liu, Jifeng, E-mail: liujifeng111@gmail.com [Key Laboratory of Food Nutrition and Safety, Ministry of Education of China, Tianjin University of Science and Technology, Tianjin 300457 (China)

    2017-07-15

    Highlights: • Competitive adsorption of O{sub 2} and OH on different Pt surfaces was theoretically studied. • The adsorption energies of O{sub 2} and OH depend on the Pt surfaces and the adsorption sites. • The order of O{sub 2} adsorption efficiency was characterized. - Abstract: To obtain a microscopic explanation on the difference of oxygen reduction reaction activity on different Pt low index surfaces, we simulated competitive adsorptions of O{sub 2} and OH on four Pt low index surfaces. Firstly, all possible chemical adsorption configurations of the O{sub 2} and OH molecules on the three surfaces were acquired through density functional theory. The distribution of these configurations on the different surfaces was collected from Monte Carlo simulations. Our results demonstrated that the adsorption energy order of O{sub 2} on different surfaces was (110)(1 × 2) > (110) > (100) > (111) and that the adsorption energy order of the OH molecules on Pt surfaces was the same. Considering the competitive adsorption of O{sub 2} and OH on Pt surfaces, the final O{sub 2} adsorption efficiencies order of three surfaces was (111) > (110) > (100) > (110)(1 × 2), which was consistent with the experimental activities of oxygen reduction. Our study provided theoretical references for previous experimental studies and had important significance for the understanding of oxygen adsorption on Pt surfaces.

  17. Detection analysis of surface hydroxyl active sites and simulation calculation of the surface dissociation constants of aqueous diatomite suspensions

    International Nuclear Information System (INIS)

    Ma, Shu-Cui; Wang, Zhi-Gang; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

    2015-01-01

    Highlights: • To examine surface hydroxyl functional groups of the calcined diatomite by TGA-DSC, FTIR, and XPS. • To calculate the optimized log K 1 , log K 2 and log C values and the surface species distribution of each surface reactive site using ProtoFit and PHREEQC, respectively. - Abstract: The surface properties of the diatomite were investigated using nitrogen adsorption/deadsorption isotherms, TG-DSC, FTIR, and XPS, and surface protonation–deprotonation behavior was determined by continuous acid–base potentiometric titration technique. The diatomite sample with porous honeycomb structure has a BET specific surface area of 10.21 m 2 /g and large numbers of surface hydroxyl functional groups (i.e. ≡Si-OH, ≡Fe-OH, and ≡Al-OH). These surface hydroxyls can be protonated or deprotonated depending on the pH of the suspension. The experimental potentiometric data in two different ionic strength solutions (0.1 and 0.05 mol/L NaCl) were fitted using ProtoFit GUI V2.1 program by applying diffuse double layer model (DLM) with three amphoteric sites and minimizing the sum of squares between a dataset derivative function and a model derivative function. The optimized surface parameters (i.e. surface dissociation constants (log K 1 , log K 2 ) and surface site concentrations (log C)) of the sample were obtained. Based on the optimized surface parameters, the surface species distribution was calculated using Program-free PHREEQC 3.1.2. Thus, this work reveals considerable new information about surface protonation–deprotonation processes and surface adsorptive behaviors of the diatomite, which helps us to effectively use the cheap and cheerful diatomite clay adsorbent

  18. Detection analysis of surface hydroxyl active sites and simulation calculation of the surface dissociation constants of aqueous diatomite suspensions

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Shu-Cui [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Key Laboratory of Applied Chemistry and Nanotechnology at Universities of Jilin Province, Changchun University of Science and Technology, Changchun 130022 (China); Wang, Zhi-Gang [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Zhang, Ji-Lin, E-mail: zjl@ciac.ac.cn [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Sun, De-Hui [Changchun Institute Technology, Changchun 130012 (China); Liu, Gui-Xia, E-mail: liuguixia22@163.com [Key Laboratory of Applied Chemistry and Nanotechnology at Universities of Jilin Province, Changchun University of Science and Technology, Changchun 130022 (China)

    2015-02-01

    Highlights: • To examine surface hydroxyl functional groups of the calcined diatomite by TGA-DSC, FTIR, and XPS. • To calculate the optimized log K{sub 1}, log K{sub 2} and log C values and the surface species distribution of each surface reactive site using ProtoFit and PHREEQC, respectively. - Abstract: The surface properties of the diatomite were investigated using nitrogen adsorption/deadsorption isotherms, TG-DSC, FTIR, and XPS, and surface protonation–deprotonation behavior was determined by continuous acid–base potentiometric titration technique. The diatomite sample with porous honeycomb structure has a BET specific surface area of 10.21 m{sup 2}/g and large numbers of surface hydroxyl functional groups (i.e. ≡Si-OH, ≡Fe-OH, and ≡Al-OH). These surface hydroxyls can be protonated or deprotonated depending on the pH of the suspension. The experimental potentiometric data in two different ionic strength solutions (0.1 and 0.05 mol/L NaCl) were fitted using ProtoFit GUI V2.1 program by applying diffuse double layer model (DLM) with three amphoteric sites and minimizing the sum of squares between a dataset derivative function and a model derivative function. The optimized surface parameters (i.e. surface dissociation constants (log K{sub 1}, log K{sub 2}) and surface site concentrations (log C)) of the sample were obtained. Based on the optimized surface parameters, the surface species distribution was calculated using Program-free PHREEQC 3.1.2. Thus, this work reveals considerable new information about surface protonation–deprotonation processes and surface adsorptive behaviors of the diatomite, which helps us to effectively use the cheap and cheerful diatomite clay adsorbent.

  19. Radioactivity determination of sealed pure beta-sources by surface dose measurements and Monte Carlo simulations

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Chang Heon [Interdisciplinary Program in Radiation Applied Life Science, Seoul National University College of Medicine, Seoul (Korea, Republic of); Jung, Seongmoon [Program in Biomedical Radiation Sciences, Department of Transdisciplinary Studies, Graduate School of Convergence Science and Technology, Seoul National University, Seoul (Korea, Republic of); Choi, Kanghyuk; Son, Kwang-Jae; Lee, Jun Sig [Hanaro Applications Research, Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Ye, Sung-Joon, E-mail: sye@snu.ac.kr [Interdisciplinary Program in Radiation Applied Life Science, Seoul National University College of Medicine, Seoul (Korea, Republic of); Program in Biomedical Radiation Sciences, Department of Transdisciplinary Studies, Graduate School of Convergence Science and Technology, Seoul National University, Seoul (Korea, Republic of); Center for Convergence Research on Robotics, Advance Institutes of Convergence Technology, Seoul National University, Suwon (Korea, Republic of)

    2016-04-21

    This study aims to determine the activity of a sealed pure beta-source by measuring the surface dose rate using an extrapolation chamber. A conversion factor (cGy s{sup −1} Bq{sup −1}), which was defined as the ratio of surface dose rate to activity, can be calculated by Monte Carlo simulations of the extrapolation chamber measurement. To validate this hypothesis the certified activities of two standard pure beta-sources of Sr/Y-90 and Si/P-32 were compared with those determined by this method. In addition, a sealed test source of Sr/Y-90 was manufactured by the HANARO reactor group of KAERI (Korea Atomic Energy Research Institute) and used to further validate this method. The measured surface dose rates of the Sr/Y-90 and Si/P-32 standard sources were 4.615×10{sup −5} cGy s{sup −1} and 2.259×10{sup −5} cGy s{sup −1}, respectively. The calculated conversion factors of the two sources were 1.213×10{sup −8} cGy s{sup −1} Bq{sup −1} and 1.071×10{sup −8} cGy s{sup −1} Bq{sup −1}, respectively. Therefore, the activity of the standard Sr/Y-90 source was determined to be 3.995 kBq, which was 2.0% less than the certified value (4.077 kBq). For Si/P-32 the determined activity was 2.102 kBq, which was 6.6% larger than the certified activity (1.971 kBq). The activity of the Sr/Y-90 test source was determined to be 4.166 kBq, while the apparent activity reported by KAERI was 5.803 kBq. This large difference might be due to evaporation and diffusion of the source liquid during preparation and uncertainty in the amount of weighed aliquot of source liquid. The overall uncertainty involved in this method was determined to be 7.3%. We demonstrated that the activity of a sealed pure beta-source could be conveniently determined by complementary combination of measuring the surface dose rate and Monte Carlo simulations.

  20. Simulation of infiltration and redistribution of intense rainfall using Land Surface Models

    Science.gov (United States)

    Mueller, Anna; Verhoef, Anne; Cloke, Hannah

    2016-04-01

    Flooding from intense rainfall (FFIR) can cause widespread damage and disruption. Numerical Weather Prediction (NWP) models provide distributed information about atmospheric conditions, such as precipitation, that can lead to a flooding event. Short duration, high intensity rainfall events are generally poorly predicted by NWP models, because of the high spatiotemporal resolution required and because of the way the convective rainfall is described in the model. The resolution of NWP models is ever increasing. Better understanding of complex hydrological processes and the effect of scale is important in order to improve the prediction of magnitude and duration of such events, in the context of disaster management. Working as part of the NERC SINATRA project, we evaluated how the Land Surface Model (LSM) components of NWP models cope with high intensity rainfall input and subsequent infiltration problems. Both in terms of the amount of water infiltrated in the soil store, as well as the timing and the amount of surface and subsurface runoff generated. The models investigated are SWAP (Soil Water Air Plant, Alterra, the Netherlands, van Dam 1997), JULES (Joint UK Land Environment Simulator a component of Unified Model in UK Met Office, Best et al. 2011) and CHTESSEL (Carbon and Hydrology- Tiled ECMWF Scheme for Surface Exchanges over Land, Balsamo et al. 2009) We analysed the numerical aspects arising from discontinuities (or sharp gradients) in forcing and/or the model solution. These types of infiltration configurations were tested in the laboratory (Vachaud 1971), for some there are semi-analytical solutions (Philip 1957, Parlange 1972, Vanderborght 2005) or reference numerical solutions (Haverkamp 1977, van Dam 2000, Vanderborght 2005). The maximum infiltration by the surface, Imax, is in general dependent on atmospheric conditions, surface type, soil type, soil moisture content θ, and surface orographic factor σ. The models used differ in their approach to

  1. WRF Simulation over the Eastern Africa by use of Land Surface Initialization

    Science.gov (United States)

    Sakwa, V. N.; Case, J.; Limaye, A. S.; Zavodsky, B.; Kabuchanga, E. S.; Mungai, J.

    2014-12-01

    to quantify possible improvements in simulated temperature, moisture and precipitation resulting from the experimental land surface initialization. These MET tools enable KMS to monitor model forecast accuracy in near real time. This study highlights verification results of WRF runs over East Africa using the LIS land surface initialization.

  2. Mesopelagic Prokaryotes Alter Surface Phytoplankton Production during Simulated Deep Mixing Experiments in Eastern Mediterranean Sea Waters

    Directory of Open Access Journals (Sweden)

    Or Hazan

    2018-01-01

    Full Text Available Mesopelagic prokaryotes (archaea and bacteria, which are transported together with nutrient-rich intermediate-water to the surface layer by deep convection in the oceans (e.g., winter mixing, upwelling systems, can interact with surface microbial populations. This interaction can potentially affect production rates and biomass of surface microbial populations, and thus play an important role in the marine carbon cycle and oceanic carbon sequestration. The Eastern Mediterranean Sea (EMS is one of the most oligotrophic and warm systems in the world's oceans, with usually very shallow winter mixing (<200 m and lack of large-size spring algal blooms. In this study, we collected seawater (0–1,500 m in 9 different cruises at the open EMS during both the stratified and the mixed seasons. We show that the EMS is a highly oligotrophic regime, resulting in low autotrophic biomass and primary productivity and relatively high heterotrophic prokaryotic biomass and production. Further, we simulated deep water mixing in on-board microcosms using Levantine surface (LSW, ~0.5 m and intermediate (LIW, ~400 m waters at a 9:1 ratio, respectively and examined the responses of the microbial populations to such a scenario. We hypothesized that the LIW, being nutrient-rich (e.g., N, P and a “hot-spot” for microbial activity (due to the warm conditions that prevail in these depths, may supply the LSW with not only key-limiting nutrients but also with viable and active heterotrophic prokaryotes that can interact with the ambient surface microbial population. Indeed, we show that LIW heterotrophic prokaryotes negatively affected the surface phytoplankton populations, resulting in lower chlorophyll-a levels and primary production rates. This may be due to out-competition of phytoplankton by LIW populations for resources and/or by a phytoplankton cell lysis via viral infection. Our results suggest that phytoplankton in the EMS may not likely form blooms, even after

  3. Experimental rig to estimate the coefficient of friction between tire and surface in airplane touchdown simulations.

    Science.gov (United States)

    Li, Chengwei; Zhan, Liwei

    2015-08-01

    To estimate the coefficient of friction between tire and runway surface during airplane touchdowns, we designed an experimental rig to simulate such events and to record the impact and friction forces being executed. Because of noise in the measured signals, we developed a filtering method that is based on the ensemble empirical mode decomposition and the bandwidth of probability density function of each intrinsic mode function to extract friction and impact force signals. We can quantify the coefficient of friction by calculating the maximum values of the filtered force signals. Signal measurements are recorded for different drop heights and tire rotational speeds, and the corresponding coefficient of friction is calculated. The result shows that the values of the coefficient of friction change only slightly. The random noise and experimental artifact are the major reason of the change.

  4. Diagnosing Model Errors in Simulations of Solar Radiation on Inclined Surfaces: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Yu; Sengupta, Manajit

    2016-06-01

    Transposition models have been widely used in the solar energy industry to simulate solar radiation on inclined PV panels. Following numerous studies comparing the performance of transposition models, this paper aims to understand the quantitative uncertainty in the state-of-the-art transposition models and the sources leading to the uncertainty. Our results suggest that an isotropic transposition model developed by Badescu substantially underestimates diffuse plane-of-array (POA) irradiances when diffuse radiation is perfectly isotropic. In the empirical transposition models, the selection of empirical coefficients and land surface albedo can both result in uncertainty in the output. This study can be used as a guide for future development of physics-based transposition models.

  5. Simulating carbon exchange using a regional atmospheric model coupled to an advanced land-surface model

    International Nuclear Information System (INIS)

    Ter Maat, H.W.; Hutjes, R.W.A.; Miglietta, F.; Gioli, B.; Bosveld, F.C.; Vermeulen, A.T.; Fritsch, H.

    2010-08-01

    This paper is a case study to investigate what the main controlling factors are that determine atmospheric carbon dioxide content for a region in the centre of The Netherlands. We use the Regional Atmospheric Modelling System (RAMS), coupled with a land surface scheme simulating carbon, heat and momentum fluxes (SWAPS-C), and including also submodels for urban and marine fluxes, which in principle should include the dominant mechanisms and should be able to capture the relevant dynamics of the system. To validate the model, observations are used that were taken during an intensive observational campaign in central Netherlands in summer 2002. These include flux-tower observations and aircraft observations of vertical profiles and spatial fluxes of various variables.

  6. Experimental simulations of oxidizing conditions and organic decomposition on the surface of Mars

    International Nuclear Information System (INIS)

    Stoker, C.R.; Mancinelli, R.L.; Mckay, C.P.

    1988-01-01

    One important scientific objective of a Mars Rover Sample Return mission would be to look for traces of living and extinct life on Mars. An instrument to search for organic carbon may be the simplest instrument that could screen samples which are interesting from a biological point of view. An experimental program is described which would help to understand the nature of the oxidizing soil on Mars and the mechanism responsible for organic degradation on the Martian surface. This is approached by lab simulations of the actual conditions that occur on Mars, particularly the oxidant production by atmospheric photochemistry, and the combined effects of UV light and oxidants in decomposing organic compounds. The results will be used to formulate models of the photochemistry of the atmospheric, the atmosphere-soil interaction, and the diffusion of reactive compounds into the soils. This information will provide insights and constraints on the design of a sampling strategy to search for organic compounds on Mars

  7. Direct numerical simulations of a thin liquid film coating an axially oscillating cylindrical surface

    Energy Technology Data Exchange (ETDEWEB)

    Binz, Matthias; Rohlfs, Wilko; Kneer, Reinhold, E-mail: rohlfs@wsa.rwth-aachen.de [Institute of Heat and Mass Transfer, RWTH Aachen University, Augustinerbach 6, D-52056 Aachen (Germany)

    2014-08-01

    Liquid films on cylindrical bodies like wires or fibers disintegrate into droplets if their length exceeds a critical measure (Plateau–Rayleigh instability). Stabilization of such films can be achieved by an axial oscillation of the solid core provided that a suitable combination of forcing amplitude and frequency is given. To investigate the stabilizing effect, direct numerical simulations of the axisymmetric problem are conducted in this study. Thus, a modified volume-of-fluid solver is employed based on the open source library OpenFOAM{sup ®}. The effect of film stabilization is demonstrated and the required conditions for a stable film configuration are found to be in accordance with other studies. Finally, parameter variations are conducted to investigate the influence on the long-term shape of the stabilized film surface. (paper)

  8. Atomic-scale simulation of dust grain collisions: Surface chemistry and dissipation beyond existing theory

    Science.gov (United States)

    Quadery, Abrar H.; Doan, Baochi D.; Tucker, William C.; Dove, Adrienne R.; Schelling, Patrick K.

    2017-10-01

    The early stages of planet formation involve steps where submicron-sized dust particles collide to form aggregates. However, the mechanism through which millimeter-sized particles aggregate to kilometer-sized planetesimals is still not understood. Dust grain collision experiments carried out in the environment of the Earth lead to the prediction of a 'bouncing barrier' at millimeter-sizes. Theoretical models, e.g., Johnson-Kendall-Roberts and Derjaguin-Muller-Toporov theories, lack two key features, namely the chemistry of dust grain surfaces, and a mechanism for atomic-scale dissipation of energy. Moreover, interaction strengths in these models are parameterized based on experiments done in the Earth's environment. To address these issues, we performed atomic-scale simulations of collisions between nonhydroxylated and hydroxylated amorphous silica nanoparticles. We used the ReaxFF approach which enables modeling chemical reactions using an empirical potential. We found that nonhydroxylated nanograins tend to adhere with much higher probability than suggested by existing theories. By contrast, hydroxylated nanograins exhibit a strong tendency to bounce. Also, the interaction between dust grains has the characteristics of a strong chemical force instead of weak van der Waals forces. This suggests that the formation of strong chemical bonds and dissipation via internal atomic vibration may result in aggregation beyond what is expected based on our current understanding. Our results also indicate that experiments should more carefully consider surface conditions to mimic the space environment. We also report results of simulations with molten silica nanoparticles. It is found that molten particles are more likely to adhere due to viscous dissipation, which supports theories that suggest aggregation to kilometer scales might require grains to be in a molten state.

  9. High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

    Science.gov (United States)

    Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

    2016-12-01

    We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2-22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the system about 700-900 K are optimal parameters for production of high-quality layers of copper on the aluminum surface. These conditions provide both a good adhesion and a less degree of the plastic deformation. At the same time, higher impact velocities can be used for combined treatment consisting of both the plastic deformation and the coating.

  10. Response surface methodological approach for the decolorization of simulated dye effluent using Aspergillus fumigatus fresenius.

    Science.gov (United States)

    Sharma, Praveen; Singh, Lakhvinder; Dilbaghi, Neeraj

    2009-01-30

    The aim of our research was to study, effect of temperature, pH and initial dye concentration on decolorization of diazo dye Acid Red 151 (AR 151) from simulated dye solution using a fungal isolate Aspergillus fumigatus fresenius have been investigated. The central composite design matrix and response surface methodology (RSM) have been applied to design the experiments to evaluate the interactive effects of three most important operating variables: temperature (25-35 degrees C), pH (4.0-7.0), and initial dye concentration (100-200 mg/L) on the biodegradation of AR 151. The total 20 experiments were conducted in the present study towards the construction of a quadratic model. Very high regression coefficient between the variables and the response (R(2)=0.9934) indicated excellent evaluation of experimental data by second-order polynomial regression model. The RSM indicated that initial dye concentration of 150 mg/L, pH 5.5 and a temperature of 30 degrees C were optimal for maximum % decolorization of AR 151 in simulated dye solution, and 84.8% decolorization of AR 151 was observed at optimum growth conditions.

  11. Influence of simulated acid rain on the flowering dogwood (Cornus florida) leaf surface

    Energy Technology Data Exchange (ETDEWEB)

    Brown, D.A. (Auburn Univ., AL (United States)); Windham, M.T.; Trigiano, R.N. (Tennessee Univ., Knoxville, TN (United States)); Anderson, R.L. (United States Dept. of Agriculture, Asheville, NC (United States))

    1994-01-01

    Acidic rainfall has the potential to influence anthracnose incidence and severity in flowering dogwood (Cornus florida L.) of the eastern United States. One-year-old, nursery-grown flowering dogwood seedlings were exposed to 1 cm of simulated rain 10 times over a 42-day period in 1990. Simulated rains were composed of a mixture of salts typical of ambient rainfall in the eastern United States and pH was adjusted to 5.5, 4.5, 3.5, and 2.5 with sulfuric and nitric acids. Samples were cut from the leaf tip, margin, and midvein of rain-treated trees and prepared for scanning electron microscopy. Cuticular cracking, desiccation, and erosion of trichrome surfaces were observed with decreasing pH for all samples. Cuticular erosion due to acid rain has the potential to predispose dogwoods in the eastern United States to anthracnose caused by Discula destructiva sp.nov. (Red.) and an unnamed Discula sp. 25 refs., 4 figs.

  12. Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow

    International Nuclear Information System (INIS)

    Zheng, Lin; Zheng, Song; Zhai, Qinglan

    2016-01-01

    In this paper, we extend a lattice Boltzmann equation (LBE) with continuous surface force (CSF) to simulate thermocapillary flows. The model is designed on our previous CSF LBE for athermal two phase flow, in which the interfacial tension forces and the Marangoni stresses as the results of the interface interactions between different phases are described by a conception of CSF. In this model, the sharp interfaces between different phases are separated by a narrow transition layers, and the kinetics and morphology evolution of phase separation would be characterized by an order parameter via Cahn–Hilliard equation which is solved in the frame work of LBE. The scalar convection–diffusion equation for temperature field is resolved by thermal LBE. The models are validated by thermal two layered Poiseuille flow, and two superimposed planar fluids at negligibly small Reynolds and Marangoni numbers for the thermocapillary driven convection, which have analytical solutions for the velocity and temperature. Then thermocapillary migration of two/three dimensional deformable droplet are simulated. Numerical results show that the predictions of present LBE agreed with the analytical solution/other numerical results. - Highlights: • A CSF LBE to thermocapillary flows. • Thermal layered Poiseuille flows. • Thermocapillary migration.

  13. Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Lin, E-mail: lz@njust.edu.cn [School of Energy and Power Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Zheng, Song [School of Mathematics and Statistics, Zhejiang University of Finance and Economics, Hangzhou 310018 (China); Zhai, Qinglan [School of Economics Management and Law, Chaohu University, Chaohu 238000 (China)

    2016-02-05

    In this paper, we extend a lattice Boltzmann equation (LBE) with continuous surface force (CSF) to simulate thermocapillary flows. The model is designed on our previous CSF LBE for athermal two phase flow, in which the interfacial tension forces and the Marangoni stresses as the results of the interface interactions between different phases are described by a conception of CSF. In this model, the sharp interfaces between different phases are separated by a narrow transition layers, and the kinetics and morphology evolution of phase separation would be characterized by an order parameter via Cahn–Hilliard equation which is solved in the frame work of LBE. The scalar convection–diffusion equation for temperature field is resolved by thermal LBE. The models are validated by thermal two layered Poiseuille flow, and two superimposed planar fluids at negligibly small Reynolds and Marangoni numbers for the thermocapillary driven convection, which have analytical solutions for the velocity and temperature. Then thermocapillary migration of two/three dimensional deformable droplet are simulated. Numerical results show that the predictions of present LBE agreed with the analytical solution/other numerical results. - Highlights: • A CSF LBE to thermocapillary flows. • Thermal layered Poiseuille flows. • Thermocapillary migration.

  14. Cloud-enabled large-scale land surface model simulations with the NASA Land Information System

    Science.gov (United States)

    Duffy, D.; Vaughan, G.; Clark, M. P.; Peters-Lidard, C. D.; Nijssen, B.; Nearing, G. S.; Rheingrover, S.; Kumar, S.; Geiger, J. V.

    2017-12-01

    Developed by the Hydrological Sciences Laboratory at NASA Goddard Space Flight Center (GSFC), the Land Information System (LIS) is a high-performance software framework for terrestrial hydrology modeling and data assimilation. LIS provides the ability to integrate satellite and ground-based observational products and advanced modeling algorithms to extract land surface states and fluxes. Through a partnership with the National Center for Atmospheric Research (NCAR) and the University of Washington, the LIS model is currently being extended to include the Structure for Unifying Multiple Modeling Alternatives (SUMMA). With the addition of SUMMA in LIS, meaningful simulations containing a large multi-model ensemble will be enabled and can provide advanced probabilistic continental-domain modeling capabilities at spatial scales relevant for water managers. The resulting LIS/SUMMA application framework is difficult for non-experts to install due to the large amount of dependencies on specific versions of operating systems, libraries, and compilers. This has created a significant barrier to entry for domain scientists that are interested in using the software on their own systems or in the cloud. In addition, the requirement to support multiple run time environments across the LIS community has created a significant burden on the NASA team. To overcome these challenges, LIS/SUMMA has been deployed using Linux containers, which allows for an entire software package along with all dependences to be installed within a working runtime environment, and Kubernetes, which orchestrates the deployment of a cluster of containers. Within a cloud environment, users can now easily create a cluster of virtual machines and run large-scale LIS/SUMMA simulations. Installations that have taken weeks and months can now be performed in minutes of time. This presentation will discuss the steps required to create a cloud-enabled large-scale simulation, present examples of its use, and

  15. Simulation of surface cracks measurement in first walls by laser spot array thermography

    Energy Technology Data Exchange (ETDEWEB)

    Pei, Cuixiang; Qiu, Jinxin; Liu, Haocheng; Chen, Zhenmao, E-mail: chenzm@mail.xjtu.edu.cn

    2016-11-01

    The inspection of surface cracks in first walls (FW) is very important to ensure the safe operation of the fusion reactors. In this paper, a new laser excited thermography technique with using laser spot array source is proposed for the surface cracks imaging and evaluation in the FW with an intuitive and non-contact measurement method. Instead of imaging a crack by scanning a single laser spot and superimposing the local discontinuity images with the present laser excited thermography methods, it can inspect a relatively large area at one measurement. It does not only simplify the measurement system and data processing procedure, but also provide a faster measurement for FW. In order to investigate the feasibility of this method, a numerical code based on finite element method (FEM) is developed to simulate the heat flow and the effect of the crack geometry on the thermal wave fields. An imaging method based on the gradient of the thermal images is proposed for crack measurement with the laser spot array thermography method.

  16. Simulation of simultaneous erosion-redeposition processes on material surfaces used in nuclear fusion reactors

    International Nuclear Information System (INIS)

    Fuentes, Nestor O.; Gavarini, Hebe O.

    1999-01-01

    Simultaneous erosion and redeposition of sputtered plasma-facing material has been studied using a 3-D computational model. The equations that govern the processes are reduced to a set of nonlinear particle-diffusion equations in which different particle interactions may be taken into account in the corresponding source terms. The effects of a magnetic field with arbitrary direction and of electrostatic potential are also included. The model is based on a combined diffusion limited aggregation and deaggregation code. Hydrogen and deuterium plasmas have been used to simulate erosion-redeposition of low-Z materials such as C, Be and B in the range of sample temperatures where chemical erosion is suppressed and the net erosion yield is due to physical sputtering only. The dependence of net erosion yield on surface temperature, plasma-particles densities and temperatures, and magnetic field intensity and direction is investigated. Computational results emphasize the importance of a magnetic field with appropriate direction and intensity in order to reduce the sputtering effects on surfaces exposed to plasma interactions. (author)

  17. Surface drag effects on simulated wind fields in high-resolution atmospheric forecast model

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Kyo Sun; Lim, Jong Myoung; Ji, Young Yong [Environmental Radioactivity Assessment Team,Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Shin, Hye Yum [NOAA/Geophysical Fluid Dynamics Laboratory, Princeton (United States); Hong, Jin Kyu [Yonsei University, Seoul (Korea, Republic of)

    2017-04-15

    It has been reported that the Weather Research and Forecasting (WRF) model generally shows a substantial over prediction bias at low to moderate wind speeds and winds are too geostrophic (Cheng and Steenburgh 2005), which limits the application of WRF model in the area that requires the accurate surface wind estimation such as wind-energy application, air-quality studies, and radioactive-pollutants dispersion studies. The surface drag generated by the subgrid-scale orography is represented by introducing a sink term in the momentum equation in their studies. The purpose of our study is to evaluate the simulated meteorological fields in the high-resolution WRF framework, that includes the parameterization of subgrid-scale orography developed by Mass and Ovens (2010), and enhance the forecast skill of low-level wind fields, which plays an important role in transport and dispersion of air pollutants including radioactive pollutants. The positive bias in 10-m wind speed is significantly alleviated by implementing the subgrid-scale orography parameterization, while other meteorological fields including 10-m wind direction are not changed. Increased variance of subgrid- scale orography enhances the sink of momentum and further reduces the bias in 10-m wind speed.

  18. Simulated Response of a Tissue-equivalent Proportional Counter on the Surface of Mars.

    Science.gov (United States)

    Northum, Jeremy D; Guetersloh, Stephen B; Braby, Leslie A; Ford, John R

    2015-10-01

    Uncertainties persist regarding the assessment of the carcinogenic risk associated with galactic cosmic ray (GCR) exposure during a mission to Mars. The GCR spectrum peaks in the range of 300(-1) MeV n to 700 MeV n(-1) and is comprised of elemental ions from H to Ni. While Fe ions represent only 0.03% of the GCR spectrum in terms of particle abundance, they are responsible for nearly 30% of the dose equivalent in free space. Because of this, radiation biology studies focusing on understanding the biological effects of GCR exposure generally use Fe ions. Acting as a thin shield, the Martian atmosphere alters the GCR spectrum in a manner that significantly reduces the importance of Fe ions. Additionally, albedo particles emanating from the regolith complicate the radiation environment. The present study uses the Monte Carlo code FLUKA to simulate the response of a tissue-equivalent proportional counter on the surface of Mars to produce dosimetry quantities and microdosimetry distributions. The dose equivalent rate on the surface of Mars was found to be 0.18 Sv y(-1) with an average quality factor of 2.9 and a dose mean lineal energy of 18.4 keV μm(-1). Additionally, albedo neutrons were found to account for 25% of the dose equivalent. It is anticipated that these data will provide relevant starting points for use in future risk assessment and mission planning studies.

  19. The Unfolding MD Simulations of Cyclophilin: Analyzed by Surface Contact Networks and Their Associated Metrics

    Science.gov (United States)

    Roy, Sourav; Basu, Sankar; Dasgupta, Dipak; Bhattacharyya, Dhananjay; Banerjee, Rahul

    2015-01-01

    Currently, considerable interest exists with regard to the dissociation of close packed aminoacids within proteins, in the course of unfolding, which could result in either wet or dry moltenglobules. The progressive disjuncture of residues constituting the hydrophobic core ofcyclophilin from L. donovani (LdCyp) has been studied during the thermal unfolding of the molecule, by molecular dynamics simulations. LdCyp has been represented as a surface contactnetwork (SCN) based on the surface complementarity (Sm) of interacting residues within themolecular interior. The application of Sm to side chain packing within proteins make it a very sensitive indicator of subtle perturbations in packing, in the thermal unfolding of the protein. Network based metrics have been defined to track the sequential changes in the disintegration ofthe SCN spanning the hydrophobic core of LdCyp and these metrics prove to be highly sensitive compared to traditional metrics in indicating the increased conformational (and dynamical) flexibility in the network. These metrics have been applied to suggest criteria distinguishing DMG, WMG and transition state ensembles and to identify key residues involved in crucial conformational/topological events during the unfolding process. PMID:26545107

  20. Influence of Decontaminating Agents and Swipe Materials on Laboratory Simulated Working Surfaces Wet Spilled with Sodium Pertechnetate.

    Science.gov (United States)

    Akchata, Suman; Lavanya, K; Shivanand, Bhushan

    2017-01-01

    Decontamination of various working surfaces with sodium pertechnetate minor spillage is essential for maintaining good radiation safety practices as well as for regulatory compliance. To observe the influences of decontaminating agents and swipe materials on different type of surfaces used in nuclear medicine laboratory work area wet spilled with 99m-technetium (99mTc) sodium pertechnetate. Lab-simulated working surface materials. Experimental study design. Direct decontamination method on dust-free lab simulated new working surfaces [stainless steel, polyvinyl chloride (PVC), Perspex, resin] using four decontaminating agents [tap water, soap water (SW), Radiacwash, and spirit] with four different swipe material [cotton, tissue paper (TP), Whatman paper (WP), adsorbent sheet (AS)] was taken 10 samples (n = 10) for each group. Parametric test two-way analysis of variance is used with significance level of 0.005, was used to evaluate statistical differences between different group of decontaminating agent and swipe material, and the results are expressed in mean ± SD. Decontamination factor is calculated after five cleaning for each group. A total of 160 samples result calculated using four decontaminating agent (tap water, SW, Radiacwash, and spirit), four swipe material (cotton, TP, WP, and AS) for commonly used surface (stainless steel, PVC, Perspex, resin) using direct method by 10 samples (n = 10) for each group. Tap water is the best decontaminating agent compared with SW, Radiac wash and spirit for the laboratory simulated stainless steel, PVC, and Perspex surface material, whereas in case of resin surface material, SW decontaminating agent is showing better effectiveness. Cotton is the best swipe material compared to WP-1, AS and TP for the stainless steel, PVC, Perspex, and resin laboratory simulated surface materials. Perspex and stainless steel are the most suitable and recommended laboratory surface material compared to PVC and resin in nuclear medicine

  1. Numerical simulation of quantum efficiency and surface recombination in HgCdTe IR photon-trapping structures

    Science.gov (United States)

    Schuster, Jonathan; Bellotti, Enrico

    2013-06-01

    We have investigated the quantum effiency in HgCdTe photovoltaic pixel arrays employing a photon-trapping structure realized with a periodic array of pillars intended to provide broadband operation. We have found that the quantum efficiency depends heavily on the passivation of the pillar surface. Pillars passivated with anodicoxide have a large fixed positive charge on the pillar surface. We use our three-dimensional numerical simulation model to study the effect of surface charge and surface recombination velocity on the exterior of the pillars. We then evaluate the quantum efficiency of this structure subject to different surface conditions. We have found that by themselves, the surface charge and surface recombination are detrimental to the quantum efficiency but the quantum efficiency is recovered when both phenomena are present. We will discuss the effects of these phenomena and the trade offs that exist between the two.

  2. Surface analysis and electrochemical behavior of Ti–20Zr alloy in simulated physiological fluids

    Energy Technology Data Exchange (ETDEWEB)

    Calderon Moreno, Jose Maria; Vasilescu, Ecaterina; Drob, Paula; Osiceanu, Petre; Vasilescu, Cora; Drob, Silviu Iulian, E-mail: sidrob@chimfiz.icf.ro; Popa, Monica

    2013-11-01

    Highlights: • The advanced Ti–20Zr alloy shows fully lamellar α + β microstructure. • The alloy passive film improves its properties by deposition of HA (XPS, SEM, EDX, Raman, FT-IR). • Alloy revealed lower corrosion rates and higher polarization resistances than Ti. • EIS spectra depicted a more protective passive film on the alloy surface than on Ti. • The passive film is formed by two layers: an inner barrier and an outer porous layer. -- Abstract: An advanced Ti–20Zr alloy was obtained by double vacuum melting in a semi-levitation furnace with cold crucible. The alloy shows fully lamellar α + β microstructure. Cyclic potentiodynamic polarization curves revealed that the alloy passivated easier, more rapid than Ti, having a more stable passive film in Ringer solutions of different pH values, simulating severe functional conditions of an implant. In neutral and alkaline Ringer solutions, the alloy passive film improved its properties in time (1500 h) by the deposition of protective hydroxyapatite, as was demonstrated by XPS, SEM, EDX, Raman and FT-IR measurements. Alloy presented lower corrosion rates and higher polarization resistances (from linear polarization measurements) than those of Ti (tens of times) proving a more resistant passive film. Alloy open circuit potentials had more electropositive values in comparison with Ti and tended to nobler values in time, which denote better passive state and its enhancement in time, due to the new depositions from the physiological solutions. Nyquist and Bode spectra depicted a more protective passive film on the alloy surface than on Ti surface. The passive film is formed by two layers: an inner barrier layer and an outer porous layer. An electric equivalent circuit with two time constants was modeled.

  3. Surface roughness of zirconia for full-contour crowns after clinically simulated grinding and polishing.

    Science.gov (United States)

    Hmaidouch, Rim; Müller, Wolf-Dieter; Lauer, Hans-Christoph; Weigl, Paul

    2014-12-01

    The aim of this study was to evaluate the effect of controlled intraoral grinding and polishing on the roughness of full-contour zirconia compared to classical veneered zirconia. Thirty bar-shaped zirconia specimens were fabricated and divided into two groups (n=15). Fifteen specimens (group 1) were glazed and 15 specimens (group 2) were veneered with feldspathic ceramic and then glazed. Prior to grinding, maximum roughness depth (Rmax) values were measured using a profilometer, 5 times per specimen. Simulated clinical grinding and polishing were performed on the specimens under water coolant for 15 s and 2 N pressure. For grinding, NTI diamonds burs with grain sizes of 20 µm, 10 µm, and 7.5 µm were used sequentially. The ground surfaces were polished using NTI kits with coarse, medium and fine polishers. After each step, Rmax values were determined. Differences between groups were examined using one-way analysis of variance (ANOVA). The roughness of group 1 was significantly lower than that of group 2. The roughness increased significantly after coarse grinding in both groups. The results after glazing were similar to those obtained after fine grinding for non-veneered zirconia. However, fine-ground veneered zirconia had significantly higher roughness than venerred, glazed zirconia. No significant difference was found between fine-polished and glazed zirconia, but after the fine polishing of veneered zirconia, the roughness was significantly higher than after glazing. It can be concluded that for full-contour zirconia, fewer defects and lower roughness values resulted after grinding and polishing compared to veneered zirconia. After polishing zirconia, lower roughness values were achieved compared to glazing; more interesting was that the grinding of glazed zirconia using the NTI three-step system could deliver smooth surfaces comparable to untreated glazed zirconia surfaces.

  4. Surface analysis and electrochemical behavior of Ti–20Zr alloy in simulated physiological fluids

    International Nuclear Information System (INIS)

    Calderon Moreno, Jose Maria; Vasilescu, Ecaterina; Drob, Paula; Osiceanu, Petre; Vasilescu, Cora; Drob, Silviu Iulian; Popa, Monica

    2013-01-01

    Highlights: • The advanced Ti–20Zr alloy shows fully lamellar α + β microstructure. • The alloy passive film improves its properties by deposition of HA (XPS, SEM, EDX, Raman, FT-IR). • Alloy revealed lower corrosion rates and higher polarization resistances than Ti. • EIS spectra depicted a more protective passive film on the alloy surface than on Ti. • The passive film is formed by two layers: an inner barrier and an outer porous layer. -- Abstract: An advanced Ti–20Zr alloy was obtained by double vacuum melting in a semi-levitation furnace with cold crucible. The alloy shows fully lamellar α + β microstructure. Cyclic potentiodynamic polarization curves revealed that the alloy passivated easier, more rapid than Ti, having a more stable passive film in Ringer solutions of different pH values, simulating severe functional conditions of an implant. In neutral and alkaline Ringer solutions, the alloy passive film improved its properties in time (1500 h) by the deposition of protective hydroxyapatite, as was demonstrated by XPS, SEM, EDX, Raman and FT-IR measurements. Alloy presented lower corrosion rates and higher polarization resistances (from linear polarization measurements) than those of Ti (tens of times) proving a more resistant passive film. Alloy open circuit potentials had more electropositive values in comparison with Ti and tended to nobler values in time, which denote better passive state and its enhancement in time, due to the new depositions from the physiological solutions. Nyquist and Bode spectra depicted a more protective passive film on the alloy surface than on Ti surface. The passive film is formed by two layers: an inner barrier layer and an outer porous layer. An electric equivalent circuit with two time constants was modeled

  5. Simulation Study of Near-Surface Coupling of Nuclear Devices vs. Equivalent High-Explosive Charges

    Energy Technology Data Exchange (ETDEWEB)

    Fournier, Kevin B [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Walton, Otis R [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Benjamin, Russ [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Dunlop, William H [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-09-29

    A computational study was performed to examine the differences in near-surface ground-waves and air-blast waves generated by high-explosive energy sources and those generated by much higher energy - density low - yield nuclear sources. The study examined the effect of explosive-source emplacement (i.e., height-of-burst, HOB, or depth-of-burial, DOB) over a range from depths of -35m to heights of 20m, for explosions with an explosive yield of 1-kt . The chemical explosive was modeled by a JWL equation-of-state model for a ~14m diameter sphere of ANFO (~1,200,000kg – 1 k t equivalent yield ), and the high-energy-density source was modeled as a one tonne (1000 kg) plasma of ‘Iron-gas’ (utilizing LLNL’s tabular equation-of-state database, LEOS) in a 2m diameter sphere, with a total internal-energy content equivalent to 1 k t . A consistent equivalent-yield coupling-factor approach was developed to compare the behavior of the two sources. The results indicate that the equivalent-yield coupling-factor for air-blasts from 1 k t ANFO explosions varies monotonically and continuously from a nearly perfec t reflected wave off of the ground surface for a HOB ≈ 20m, to a coupling factor of nearly zero at DOB ≈ -25m. The nuclear air - blast coupling curve, on the other hand, remained nearly equal to a perfectly reflected wave all the way down to HOB’s very near zero, and then quickly dropped to a value near zero for explosions with a DOB ≈ -10m. The near - surface ground - wave traveling horizontally out from the explosive source region to distances of 100’s of meters exhibited equivalent - yield coupling - factors t hat varied nearly linearly with HOB/DOB for the simulated ANFO explosive source, going from a value near zero at HOB ≈ 5m to nearly one at DOB ≈ -25m. The nuclear-source generated near-surface ground wave coupling-factor remained near zero for almost all HOB’s greater than zero, and then appeared to vary nearly - linearly with depth

  6. Simulation of Missing Pellet Surface thermal behavior with 3D dynamic gap element

    International Nuclear Information System (INIS)

    Kim, Hyo Chan; Yang, Yong Sik; Koo, Yang Hyun; Kang, Chang Hak; Lee Sung Uk; Yang, Dong Yol

    2014-01-01

    Most of the fuel performance codes that are able to simulate a multidimensional analysis are used to calculate the radial temperature distribution and perform a multidimensional mechanical analysis based on a one-dimensional (1D) temperature result. The FRAPCON-FRAPTRAN code system incorporates a 1D thermal module and two-dimensional (2D) mechanical module when FEM option is activated. In this method, the multidimensional gap conductance model is not required because one-dimensional thermal analysis is carried out. On the other hand, a gap conductance model for a multi-dimension should be developed in the code to perform a multidimensional thermal analysis. ALCYONE developed by CEA introduces an equivalent heat convection coefficient that represents the multidimensional gap conductance. However, the code does not employ dynamic gap conductance which is a function of gap thickness and gap characteristics in direct. The BISON code, which has been developed by INL (Idaho National Laboratory), employed a thermo-mechanical contact method that is specifically designed for tightly-coupled implicit solutions that employ Jacobian-free solution methods. Owing to tightly-coupled implicit solutions, the BISON code solves gap conductance and gap thickness simultaneously with given boundary conditions. In this paper, 3D dynamic gap element has been proposed to resolve convergence issue and nonlinear characteristic of multidimensional gap conductance. To evaluate 3D dynamic gap element module, 3D thermomechanical module using FORTRAN77 has been implemented incorporating 3D dynamic gap element. To demonstrate effect of 3D dynamic gap element, thermal behavior of missing pellet surface (MPS) has been simulated by the developed module. LWR fuel performance codes should incorporate thermo-mechanical loop to solve gap conductance problem, iteratively. However, gap conductance in multidimensional model is difficult issue owing to its nonlinearity and convergence characteristics. In

  7. Simulations

    CERN Document Server

    Ngada, Narcisse

    2015-06-15

    The complexity and cost of building and running high-power electrical systems make the use of simulations unavoidable. The simulations available today provide great understanding about how systems really operate. This paper helps the reader to gain an insight into simulation in the field of power converters for particle accelerators. Starting with the definition and basic principles of simulation, two simulation types, as well as their leading tools, are presented: analog and numerical simulations. Some practical applications of each simulation type are also considered. The final conclusion then summarizes the main important items to keep in mind before opting for a simulation tool or before performing a simulation.

  8. Molecular dynamics simulation of temperature effects on low energy near-surface cascades and surface damage in Cu

    Science.gov (United States)

    Zhu, Guo; Sun, Jiangping; Guo, Xiongxiong; Zou, Xixi; Zhang, Libin; Gan, Zhiyin

    2017-06-01

    The temperature effects on near-surface cascades and surface damage in Cu(0 0 1) surface under 500 eV argon ion bombardment were studied using molecular dynamics (MD) method. In present MD model, substrate system was fully relaxed for 1 ns and a read-restart scheme was introduced to save total computation time. The temperature dependence of damage production was calculated. The evolution of near-surface cascades and spatial distribution of adatoms at varying temperature were analyzed and compared. It was found that near-surface vacancies increased with temperature, which was mainly due to the fact that more atoms initially located in top two layers became adatoms with the decrease of surface binding energy. Moreover, with the increase of temperature, displacement cascades altered from channeling-like structure to branching structure, and the length of collision sequence decreased gradually, because a larger portion of energy of primary knock-on atom (PKA) was scattered out of focused chain. Furthermore, increasing temperature reduced the anisotropy of distribution of adatoms, which can be ascribed to that regular registry of surface lattice atoms was changed with the increase of thermal vibration amplitude of surface atoms.

  9. Calcite surface structure and reactivity: molecular dynamics simulations and macroscopic surface modelling of the calcite-water interface

    NARCIS (Netherlands)

    Wolthers, M.; Di Tommaso, D.; Du, Z.; de Leeuw, N.H.

    2012-01-01

    Calcite–water interactions are important not only in carbon sequestration and the global carbon cycle, but also in contaminant behaviour in calcite-bearing host rock and in many industrial applications. Here we quantify the effect of variations in surface structure on calcite surface reactivity.

  10. Molecular dynamics simulation of temperature effects on low energy near-surface cascades and surface damage in Cu

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Guo; Sun, Jiangping; Guo, Xiongxiong; Zou, Xixi; Zhang, Libin; Gan, Zhiyin, E-mail: ganzhiyin@126.com

    2017-06-15

    The temperature effects on near-surface cascades and surface damage in Cu(0 0 1) surface under 500 eV argon ion bombardment were studied using molecular dynamics (MD) method. In present MD model, substrate system was fully relaxed for 1 ns and a read-restart scheme was introduced to save total computation time. The temperature dependence of damage production was calculated. The evolution of near-surface cascades and spatial distribution of adatoms at varying temperature were analyzed and compared. It was found that near-surface vacancies increased with temperature, which was mainly due to the fact that more atoms initially located in top two layers became adatoms with the decrease of surface binding energy. Moreover, with the increase of temperature, displacement cascades altered from channeling-like structure to branching structure, and the length of collision sequence decreased gradually, because a larger portion of energy of primary knock-on atom (PKA) was scattered out of focused chain. Furthermore, increasing temperature reduced the anisotropy of distribution of adatoms, which can be ascribed to that regular registry of surface lattice atoms was changed with the increase of thermal vibration amplitude of surface atoms.

  11. Effect of surface silanol groups on the deposition of apatite onto silica surfaces: a computer simulation study

    CSIR Research Space (South Africa)

    Mkhonto, D

    2008-01-01

    Full Text Available the surface silicon and oxygen species rearrange to form O–Si–O links. Any dangling silicon and oxygen bonds at the silica surfaces are saturated by coordination to oxygen and calcium atoms in the apatite layer, but the extra reactivity afforded by these under...

  12. Temperature sensitivity to the land-surface model in MM5 climate simulations over the Iberian Peninsula

    Energy Technology Data Exchange (ETDEWEB)

    Jerez, Sonia; Montavez, Juan P.; Gomez-Navarro, Juan J.; Jimenez-Guerrero, Pedro [Dept. de Fisica, Univ. de Murcia (Spain); Jimenez, Jose M.; Gonzalez-Rouco, Jesus F. [Dept. de Astrofisica y CC. de la Atmosfera, Univ. Complutense de Madrid (Spain)

    2010-06-15

    Three different Land Surface Models have been used in three high resolution climate simulations performed with the mesoscale model MM5 over the Iberian Peninsula. The main difference among them lies in the soil moisture treatment, which is dynamically modelled by only two of them (Noah and Pleim and Xiu models), while in the simplest model (Simple Five-Layers) it is fixed to climatological values. The simulated period covers 1958-2002, using the ERA40 reanalysis data as driving conditions. Focusing on near-surface air temperature, this work evaluates the skill of each simulation in reproducing mean values and temporal variability, by comparing the simulations with observed temperature series. When the simplest simulation was analyzed, the greatest discrepances were observed for the summer season, when both, the mean values and the temporal variability of the temperature series, were badly underestimated. These weaknesses are largely overcome in the other two simulations (performed by coupling a more advanced soil model to MM5), and there was greater concordance between the simulated and observed spatial patterns. The influence of a dynamic soil moisture parameterization and, therefore, a more realistic simulation of the latent and sensible heat fluxes between the land and the atmosphere, helps to explain these results. (orig.)

  13. Evaluation of air-soil temperature relationships simulated by land surface models during winter across the permafrost region

    Science.gov (United States)

    Wang, Wenli; Rinke, Annette; Moore, John C.; Ji, Duoying; Cui, Xuefeng; Peng, Shushi; Lawrence, David M.; McGuire, A. David; Burke, Eleanor J.; Chen, Xiaodong; Delire, Christine; Koven, Charles; MacDougall, Andrew; Saito, Kazuyuki; Zhang, Wenxin; Alkama, Ramdane; Bohn, Theodore J.; Ciais, Philippe; Decharme, Bertrand; Gouttevin, Isabelle; Hajima, Tomohiro; Krinner, Gerhard; Lettenmaier, Dennis P.; Miller, Paul A.; Smith, Benjamin; Sueyoshi, Tetsuo

    2016-01-01

     A realistic simulation of snow cover and its thermal properties are important for accurate modelling of permafrost. We analyze simulated relationships between air and near-surface (20 cm) soil temperatures in the Northern Hemisphere permafrost region during winter, with a particular focus on snow insulation effects in nine land surface models and compare them with observations from 268 Russian stations. There are large across-model differences as expressed by simulated differences between near-surface soil and air temperatures, (ΔT), of 3 to 14 K, in the gradients between soil and air temperatures (0.13 to 0.96°C/°C), and in the relationship between ΔT and snow depth. The observed relationship between ΔT and snow depth can be used as a metric to evaluate the effects of each model's representation of snow insulation, and hence guide improvements to the model’s conceptual structure and process parameterizations. Models with better performance apply multi-layer snow schemes and consider complex snow processes. Some models show poor performance in representing snow insulation due to underestimation of snow depth and/or overestimation of snow conductivity. Generally, models identified as most acceptable with respect to snow insulation simulate reasonable areas of near-surface permafrost (12–16 million km2). However, there is not a simple relationship between the quality of the snow insulation in the acceptable models and the simulated area of Northern Hemisphere near-surface permafrost, likely because several other factors such as differences in the treatment of soil organic matter, soil hydrology, surface energy calculations, and vegetation also provide important controls on simulated permafrost distribution.

  14. Stimulated Raman signals at conical intersections: Ab initio surface hopping simulation protocol with direct propagation of the nuclear wave function

    Energy Technology Data Exchange (ETDEWEB)

    Kowalewski, Markus, E-mail: mkowalew@uci.edu; Mukamel, Shaul, E-mail: smukamel@uci.edu [Department of Chemistry, University of California, Irvine, California 92697-2025 (United States)

    2015-07-28

    Femtosecond Stimulated Raman Spectroscopy (FSRS) signals that monitor the excited state conical intersections dynamics of acrolein are simulated. An effective time dependent Hamiltonian for two C—H vibrational marker bands is constructed on the fly using a local mode expansion combined with a semi-classical surface hopping simulation protocol. The signals are obtained by a direct forward and backward propagation of the vibrational wave function on a numerical grid. Earlier work is extended to fully incorporate the anharmonicities and intermode couplings.

  15. Stimulated Raman signals at conical intersections: Ab initio surface hopping simulation protocol with direct propagation of the nuclear wave function

    International Nuclear Information System (INIS)

    Kowalewski, Markus; Mukamel, Shaul

    2015-01-01

    Femtosecond Stimulated Raman Spectroscopy (FSRS) signals that monitor the excited state conical intersections dynamics of acrolein are simulated. An effective time dependent Hamiltonian for two C—H vibrational marker bands is constructed on the fly using a local mode expansion combined with a semi-classical surface hopping simulation protocol. The signals are obtained by a direct forward and backward propagation of the vibrational wave function on a numerical grid. Earlier work is extended to fully incorporate the anharmonicities and intermode couplings

  16. CFD simulation of direct contact condensation with ANSYS CFX using surface renewal theory based heat transfer coefficients

    Energy Technology Data Exchange (ETDEWEB)

    Wanninger, Andreas; Ceuca, Sabin Cristian; Macian-Juan, Rafael [Technische Univ. Muenchen, Garching (Germany). Dept. of Nuclear Engineering

    2013-07-01

    Different approaches for the calculation of Direct Contact Condensation (DCC) using Heat Transfer Coefficients (HTC) based on the Surface Renewal Theory (SRT) are tested using the CFD simulation tool ANSYS CFX. The present work constitutes a preliminary study of the flow patterns and conditions observed using different HTC models. A complex 3D flow pattern will be observed in the CFD simulations as well as a strong coupling between the condensation rate and the two-phase flow dynamics. (orig.)

  17. Simulation of YBa{sub 2}Cu{sub 3}O{sub 7}/MgO surface growth

    Energy Technology Data Exchange (ETDEWEB)

    Mohammadizadeh, M.R. [Superconductivity Research Laboratory (SRL), Department of Physics, University of Tehran, North Karegar Ave., P.O. Box 14395-547, Tehran (Iran); Computational Physical Sciences Research Laboratory, Department of Nano-Science, Institute for Studies in Theoretical Physics and Mathematics (IPM), P.O. Box 19395-5531, Tehran (Iran); Safari, N.; Kia, M.; Savaloni, H. [Superconductivity Research Laboratory (SRL), Department of Physics, University of Tehran, North Karegar Ave., P.O. Box 14395-547, Tehran (Iran)

    2006-09-15

    For surface growth simulation of YBa{sub 2}Cu{sub 3}O{sub 7} on MgO substrate, binding energies between each two different Y, Ba, Cu, O, and Mg atoms were calculated by ab initio pseudopotential density functional theory approach. Then, simulation of YBa{sub 2}Cu{sub 3}O{sub 7} growth was performed by a simple two dimensional model based on the ballistic aggregation of hard discs. By increasing the substrate temperature, the atomic layers distribution is more condensed and the nanometric surface roughness decreases. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Trend of surface solar radiation over Asia simulated by aerosol transport-climate model

    Science.gov (United States)

    Takemura, T.; Ohmura, A.

    2009-12-01

    . Continuous hindcast simulation during the last several decades is done to compare with surface radiation measurements. Cause of the global dimming and brightening is separated into the aerosol direct and indirect effects from the simulation. Acknowledgments. The simulation in this study was performed on the NIES supercomputer system (NEC SX-8R). This study is partly supported by the Global Environment Research Fund (RF-091) by the Ministry of the Environment of Japan, Grant-in-Aid for Young Scientist (21681001) by the Ministry of Education, Culture, Sports, Science, and Technology of Japan, and Mitsui & Co., Ltd. Environment Fund (R08-D035). References Ohmura, A. (2009), J. Geophys. Res., 114, doi:10.1029/2008JD011290. Takemura, T., et al. (2000), J. Geophys. Res., 105, 17853-17873. Takemura, T., et al. (2002), J. Climate, 15, 333-352. Takemura, T., et al. (2005), J. Geophys. Res., 110, doi:10.1029/2004JD005029. Takemura, T., et al. (2009), Atmos. Chem. Phys., 9, 3061-3073. Wild, M. (2009), J. Geophys. Res., 114, doi:10.1029/2008JD011470.

  19. The Role of Surface Energy Exchange for Simulating Wind Inflow: An Evaluation of Multiple Land Surface Models in WRF for the Southern Great Plains Site Field Campaign Report

    Energy Technology Data Exchange (ETDEWEB)

    Wharton, Sonia [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Simpson, Matthew [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Osuna, Jessica [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Newman, Jennifer [National Renewable Energy Lab. (NREL), Golden, CO (United States); Biraud, Sebastien [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2016-05-01

    The Weather Research and Forecasting (WRF) model is used to investigate choice of land surface model (LSM) on the near-surface wind profile, including heights reached by multi-megawatt wind turbines. Simulations of wind profiles and surface energy fluxes were made using five LSMs of varying degrees of sophistication in dealing with soil-plant-atmosphere feedbacks for the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility’s Southern Great Plains (SGP) Central Facility in Oklahoma. Surface-flux and wind-profile measurements were available for validation. The WRF model was run for three two-week periods during which varying canopy and meteorological conditions existed. The LSMs predicted a wide range of energy-flux and wind-shear magnitudes even during the cool autumn period when we expected less variability. Simulations of energy fluxes varied in accuracy by model sophistication, whereby LSMs with very simple or no soil-plant-atmosphere feedbacks were the least accurate; however, the most complex models did not consistently produce more accurate results. Errors in wind shear also were sensitive to LSM choice and were partially related to the accuracy of energy flux data. The variability of LSM performance was relatively high, suggesting that LSM representation of energy fluxes in the WRF model remains a significant source of uncertainty for simulating wind turbine inflow conditions.

  20. Simulation of Intra- or transboundary surface-water-rights hierarchies using the farm process for MODFLOW-2000

    Science.gov (United States)

    Schmid, W.; Hanson, R.T.

    2007-01-01

    Water-rights driven surface-water allocations for irrigated agriculture can be simulated using the farm process for MODFLOW-2000. This paper describes and develops a model, which simulates routed surface-water deliveries to farms limited by streamflow, equal-appropriation allotments, or a ranked prior-appropriation system. Simulated diversions account for deliveries to all farms along a canal according to their water-rights ranking and for conveyance losses and gains. Simulated minimum streamflow requirements on diversions help guarantee supplies to senior farms located on downstream diverting canals. Prior appropriation can be applied to individual farms or to groups of farms modeled as "virtual farms" representing irrigation districts, irrigated regions in transboundary settings, or natural vegetation habitats. The integrated approach of jointly simulating canal diversions, surface-water deliveries subject to water-rights constraints, and groundwater allocations is verified on numerical experiments based on a realistic, but hypothetical, system of ranked virtual farms. Results are discussed in light of transboundary water appropriation and demonstrate the approach's suitability for simulating effects of water-rights hierarchies represented by international treaties, interstate stream compacts, intrastate water rights, or ecological requirements. ?? 2007 ASCE.

  1. A parametric study of surface roughness and bonding mechanisms of aluminum alloys with epoxies: a molecular dynamics simulation

    Science.gov (United States)

    Timilsina, Rajendra; Termaath, Stephanie

    The marine environment is highly aggressive towards most materials. However, aluminium-magnesium alloys (Al-Mg, specifically, 5xxx series) have exceptionally long service life in such aggressive marine environments. For instance, an Al-Mg alloy, AA5083, is extensively used in naval structures because of its good mechanical strength, formability, seawater corrosion resistance and weldability. However, bonding mechanisms of these alloys with epoxies in a rough surface environment are not fully understood yet. It requires a rigorous investigation at molecular or atomic levels. We performed a molecular dynamics simulation to study an adherend surface preparation and surface bonding mechanisms of Al-Mg alloy (AA5083) with different epoxies by developing several computer models. Various distributions of surface roughness are introduced in the models and performed molecular dynamics simulations. Formation of a beta phase (Al3Mg2) , microstructures, bonding energies at the interface, bonding strengths and durability are investigated. Office of Naval Research.

  2. A NEW TECHNIQUE FOR THE PHOTOSPHERIC DRIVING OF NON-POTENTIAL SOLAR CORONAL MAGNETIC FIELD SIMULATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Weinzierl, Marion; Yeates, Anthony R. [Department of Mathematical Sciences, Durham University, South Road, Durham DH1 3LE (United Kingdom); Mackay, Duncan H. [School of Mathematics and Statistics, University of St. Andrews, North Haugh, St. Andrews, Fife KY16 9SS (United Kingdom); Henney, Carl J.; Arge, C. Nick, E-mail: marion.weinzierl@durham.ac.uk [Air Force Research Lab/Space Vehicles Directorate, 3550 Aberdeen Avenue SE, Kirtland AFB, NM (United States)

    2016-05-20

    In this paper, we develop a new technique for driving global non-potential simulations of the Sun’s coronal magnetic field solely from sequences of radial magnetic maps of the solar photosphere. A primary challenge to driving such global simulations is that the required horizontal electric field cannot be uniquely determined from such maps. We show that an “inductive” electric field solution similar to that used by previous authors successfully reproduces specific features of the coronal field evolution in both single and multiple bipole simulations. For these cases, the true solution is known because the electric field was generated from a surface flux-transport model. The match for these cases is further improved by including the non-inductive electric field contribution from surface differential rotation. Then, using this reconstruction method for the electric field, we show that a coronal non-potential simulation can be successfully driven from a sequence of ADAPT maps of the photospheric radial field, without including additional physical observations which are not routinely available.

  3. Applications of computer simulation, nuclear reactions and elastic scattering to surface analysis of materials

    Directory of Open Access Journals (Sweden)

    Pacheco de Carvalho, J. A.

    2008-08-01

    Full Text Available This article involves computer simulation and surface analysis by nuclear techniques, which are non-destructive. Both the “energy method of analysis” for nuclear reactions and elastic scattering are used. Energy spectra are computer simulated and compared with experimental data, giving target composition and concentration profile information. The method is successfully applied to thick flat targets of graphite, quartz and sapphire and targets containing thin films of aluminium oxide. Depth profiles of 12C and 16O nuclei are determined using (d,p and (d,α deuteron induced reactions. Rutherford and resonance elastic scattering of (4He+ ions are also used.

    Este artículo trata de simulación por ordenador y del análisis de superficies mediante técnicas nucleares, que son no destructivas. Se usa el “método de análisis en energia” para reacciones nucleares, así como el de difusión elástica. Se simulan en ordenador espectros en energía que se comparan com datos experimentales, de lo que resulta la obención de información sobre la composición y los perfiles de concentración de la muestra. Este método se aplica con éxito em muestras espesas y planas de grafito, cuarzo y zafiro y muestras conteniendo películas finas de óxido de aluminio. Se calculan perfiles en profundidad de núcleos de 12C y de 16O a través de reacciones (d,p y (d,α inducidas por deuterones. Se utiliza también la difusión elástica de iones (4He+, tanto a Rutherford como resonante.

  4. High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Pogorelko, Victor V., E-mail: vik_ko83@mail.ru [Chelyabinsk State University, Bratiev Kashirinykh 129, 454001 Chelyabinsk (Russian Federation); South Ural State University (National Research University), Lenin Prospect 76, 454080 Chelyabinsk (Russian Federation); Mayer, Alexander E., E-mail: mayer@csu.ru [Chelyabinsk State University, Bratiev Kashirinykh 129, 454001 Chelyabinsk (Russian Federation); South Ural State University (National Research University), Lenin Prospect 76, 454080 Chelyabinsk (Russian Federation); Krasnikov, Vasiliy S., E-mail: vas.krasnikov@gmail.com [Chelyabinsk State University, Bratiev Kashirinykh 129, 454001 Chelyabinsk (Russian Federation); South Ural State University (National Research University), Lenin Prospect 76, 454080 Chelyabinsk (Russian Federation)

    2016-12-30

    Highlights: • High-speed nanoparticle impact induces shock waves and intensive plastic deformation. • Lattice orientation strongly influences on the deformation degree. • Plastic deformation goes through nucleation, growth and separation of semi-loops. • Medium impact energy and elevated temperature are optimal for high-quality coating. • High impact velocity and room temperature lead to plastic deformation and coating. - Abstract: We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2–22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the

  5. High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

    International Nuclear Information System (INIS)

    Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

    2016-01-01

    Highlights: • High-speed nanoparticle impact induces shock waves and intensive plastic deformation. • Lattice orientation strongly influences on the deformation degree. • Plastic deformation goes through nucleation, growth and separation of semi-loops. • Medium impact energy and elevated temperature are optimal for high-quality coating. • High impact velocity and room temperature lead to plastic deformation and coating. - Abstract: We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2–22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the

  6. DFT simulations of water adsorption and activation on low-index α-Ga2O3 surfaces.

    Science.gov (United States)

    Zhou, Xin; Hensen, Emiel J M; van Santen, Rutger A; Li, Can

    2014-06-02

    Density functional theory (DFT) calculations are used to explore water adsorption and activation on different α-Ga2O3 surfaces, namely (001), (100), (110), and (012). The geometries and binding energies of molecular and dissociative adsorption are studied as a function of coverage. The simulations reveal that dissociative water adsorption on all the studied low-index surfaces are thermodynamically favorable. Analysis of surface energies suggests that the most preferentially exposed surface is (012). The contribution of surface relaxation to the respective surface energies is significant. Calculations of electron local density of states indicate that the electron-energy band gaps for the four investigated surfaces appears to be less related to the difference in coordinative unsaturation of the surface atoms, but rather to changes in the ionicity of the surface chemical bonds. The electrochemical computation is used to investigate the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) on α-Ga2O3 surfaces. Our results indicate that the (100) and (110) surfaces, which have low stability, are the most favorable ones for HER and OER, respectively. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Low energy Cu clusters slow deposition on a Fe (001) surface investigated by molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shixu [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Laboratory of Advanced Nuclear Materials, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Gong, Hengfeng [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Division of Nuclear Materials Science and Engineering, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Chen, Xuanzhi [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Li, Gongping, E-mail: ligp@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Wang, Zhiguang, E-mail: zhgwang@impcas.ac.cn [Laboratory of Advanced Nuclear Materials, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2014-09-30

    Highlights: • We study the deposition of low energy Cu clusters on Fe (001) surface by molecular dynamics. • The interaction between low energy cluster and substrate can be divided to the landing and the thermal diffusion phases. • The phenomenon of contact epitaxy of cluster occurred. • The thermal diffusion of cluster atoms was analyzed. - Abstract: The slow deposition of low energy Cu clusters on a Fe (001) surface was investigated by molecular dynamics simulation. A many-body potential based on Finnis–Sinclair model was used to describe the interactions among atoms. Three clusters comprising of 13, 55 and 147 atoms, respectively, were deposited with incident energies ranging from 0.0 to 1.0 eV/atom at various substrate temperatures (0, 300 and 800 K). The rearrangement and the diffusion of cluster can occur, only when the cluster atoms are activated and obtained enough migration energy. The interaction between low energy cluster and substrate can be divided to the landing and the thermal diffusion phases. In the former, the migration energy originates from the latent heat of binding energy for the soft deposition regime and primarily comes from the incident energy of cluster for the energetic cluster deposition regime. In the latter, the thermal vibration would result in some cluster atoms activated again at medium and high substrate temperatures. Also, the effects of incident energy, cluster size and substrate temperature on the interaction potential energy between cluster and substrate, the final deposition morphology of cluster, the spreading index and the structure parameter of cluster are analyzed.

  8. Measurements and Simulations of Surface Dielectric Barrier Discharges Used as Plasma Actuators

    Science.gov (United States)

    Hoskinson, Alan R.

    2012-01-01

    This report is a Ph.D. dissertation performed under NRA cooperative agreement and submitted as part of the final report. Asymmetric surface dielectric barrier discharges (DBDs) have shown promise for use as aerodynamic actuators for active flow control. In this project we studied DBD actuators experimentally and numerically. Our DBDs used a symmetric triangular high voltage waveform to generate plasma in atmospheric pressure air. Time-averaged measurements indicated that the induced force of a single barrier actuator design (one electrode insulated from the plasma) can be increased exponentially above the results of previous studies by decreasing both the length and thickness of the electrode exposed to the plasma. This increased force may allow these devices to control flow separation in a wider range of flow environments. Experiments using an intensified digital camera to examine the plasma on time scales of a few nanoseconds showed that, in addition to the previously-observed filamentary and jet-like plasma structures, discharges with very thin exposed electrodes exhibited a weak but constant plasma immediately adjacent to those electrodes. In double-barrier actuators (both electrodes insulated), decreasing the diameter of the narrower electrode lead to increasing forces, and recorded images showed the simultaneous existence of both filamentary and jet-like plasma structures. The development and application of a time-dependent, two-dimensional computational fluid plasma model has aided in understanding the detailed physics of surface DBDs at all-time scales. For simulated single-barrier discharges, the model qualitatively reproduced the filamentary and jet-like micro-discharge structures. The model was somewhat successful in reproducing the observed characteristics of double-barrier actuators. For both actuator geometries, the model indicated that the majority of the forces induced on the neutral gas occur in between micro-discharges as the plasmas decay.

  9. Formulations by surface integral equations for numerical simulation of non-destructive testing by eddy currents

    International Nuclear Information System (INIS)

    Vigneron, Audrey

    2015-01-01

    The thesis addresses the numerical simulation of non-destructive testing (NDT) using eddy currents, and more precisely the computation of induced electromagnetic fields by a transmitter sensor in a healthy part. This calculation is the first step of the modeling of a complete control process in the CIVA software platform developed at CEA LIST. Currently, models integrated in CIVA are restricted to canonical (modal computation) or axially-symmetric geometries. The need for more diverse and complex configurations requires the introduction of new numerical modeling tools. In practice the sensor may be composed of elements with different shapes and physical properties. The inspected parts are conductive and may contain dielectric or magnetic elements. Due to the cohabitation of different materials in one configuration, different regimes (static, quasi-static or dynamic) may coexist. Under the assumption of linear, isotropic and piecewise homogeneous material properties, the surface integral equation (SIE) approach allows to reduce a volume-based problem to an equivalent surface-based problem. However, the usual SIE formulations for the Maxwell's problem generally suffer from numerical noise in asymptotic situations, and especially at low frequencies. The objective of this study is to determine a version that is stable for a range of physical parameters typical of eddy-current NDT applications. In this context, a block-iterative scheme based on a physical decomposition is proposed for the computation of primary fields. This scheme is accurate and well-conditioned. An asymptotic study of the integral Maxwell's problem at low frequencies is also performed, allowing to establish the eddy-current integral problem as an asymptotic case of the corresponding Maxwell problem. (author) [fr

  10. Measurements of Regolith Simulant Thermal Conductivity Under Asteroid and Mars Surface Conditions

    Science.gov (United States)

    Ryan, A. J.; Christensen, P. R.

    2017-12-01

    Laboratory measurements have been necessary to interpret thermal data of planetary surfaces for decades. We present a novel radiometric laboratory method to determine temperature-dependent thermal conductivity of complex regolith simulants under rough to high vacuum and across a wide range of temperatures. This method relies on radiometric temperature measurements instead of contact measurements, eliminating the need to disturb the sample with thermal probes. We intend to determine the conductivity of grains that are up to 2 cm in diameter and to parameterize the effects of angularity, sorting, layering, composition, and eventually cementation. We present the experimental data and model results for a suite of samples that were selected to isolate and address regolith physical parameters that affect bulk conductivity. Spherical glass beads of various sizes were used to measure the effect of size frequency distribution. Spherical beads of polypropylene and well-rounded quartz sand have respectively lower and higher solid phase thermal conductivities than the glass beads and thus provide the opportunity to test the sensitivity of bulk conductivity to differences in solid phase conductivity. Gas pressure in our asteroid experimental chambers is held at 10^-6 torr, which is sufficient to negate gas thermal conduction in even our coarsest of samples. On Mars, the atmospheric pressure is such that the mean free path of the gas molecules is comparable to the pore size for many regolith particulates. Thus, subtle variations in pore size and/or atmospheric pressure can produce large changes in bulk regolith conductivity. For each sample measured in our martian environmental chamber, we repeat thermal measurement runs at multiple pressures to observe this behavior. Finally, we present conductivity measurements of angular basaltic simulant that is physically analogous to sand and gravel that may be present on Bennu. This simulant was used for OSIRIS-REx TAGSAM Sample Return

  11. Three-dimensional numerical simulation of crown spike due to coupling effect between bubbles and free surface

    International Nuclear Information System (INIS)

    Han Rui; Zhang A-Man; Li Shuai

    2014-01-01

    The motion of gas bubbles beneath a free surface will lead to a spike of fluid on the free surface. The distance of the bubbles to the free surface is the key factor to different phenomena. When the inception distance varies in some range, crown phenomenon would happen after the impact of weak buoyancy bubbles, so this kind of spike is defined as crown spike in the present paper. Based on potential flow theory, a three-dimensional numerical model is established to simulate the motion of the free-surface spike generated by one bubble or a horizontal line of two in-phase bubbles. After the downward jet formed near the end of the collapse phase, the simulation of the free surface is performed to study the crown spike without regard to the toroidal bubble's effect. Calculations about the interaction between one bubble and free surface agree well with the experimental results conducted with a high-speed camera, and relative error is within 15%. Crown spike in both single- and two-bubble cases are simulated numerically. Different features and laws of the motion of crown spike, depending on the bubble-boundary distances and the inter-bubble distances, have been investigated

  12. Peri-Elastodynamic Simulations of Guided Ultrasonic Waves in Plate-Like Structure with Surface Mounted PZT

    Directory of Open Access Journals (Sweden)

    Subir Patra

    2018-01-01

    Full Text Available Peridynamic based elastodynamic computation tool named Peri-elastodynamics is proposed herein to simulate the three-dimensional (3D Lamb wave modes in materials for the first time. Peri-elastodynamics is a nonlocal meshless approach which is a scale-independent generalized technique to visualize the acoustic and ultrasonic waves in plate-like structure, micro-electro-mechanical systems (MEMS and nanodevices for their respective characterization. In this article, the characteristics of the fundamental Lamb wave modes are simulated in a sample plate-like structure. Lamb wave modes are generated using a surface mounted piezoelectric (PZT transducer which is actuated from the top surface. The proposed generalized Peri-elastodynamics method is not only capable of simulating two dimensional (2D in plane wave under plane strain condition formulated previously but also capable of accurately simulating the out of plane Symmetric and Antisymmetric Lamb wave modes in plate like structures in 3D. For structural health monitoring (SHM of plate-like structures and nondestructive evaluation (NDE of MEMS devices, it is necessary to simulate the 3D wave-damage interaction scenarios and visualize the different wave features due to damages. Hence, in addition, to simulating the guided ultrasonic wave modes in pristine material, Lamb waves were also simulated in a damaged plate. The accuracy of the proposed technique is verified by comparing the modes generated in the plate and the mode shapes across the thickness of the plate with theoretical wave analysis.

  13. Peri-Elastodynamic Simulations of Guided Ultrasonic Waves in Plate-Like Structure with Surface Mounted PZT.

    Science.gov (United States)

    Patra, Subir; Ahmed, Hossain; Banerjee, Sourav

    2018-01-18

    Peridynamic based elastodynamic computation tool named Peri-elastodynamics is proposed herein to simulate the three-dimensional (3D) Lamb wave modes in materials for the first time. Peri-elastodynamics is a nonlocal meshless approach which is a scale-independent generalized technique to visualize the acoustic and ultrasonic waves in plate-like structure, micro-electro-mechanical systems (MEMS) and nanodevices for their respective characterization. In this article, the characteristics of the fundamental Lamb wave modes are simulated in a sample plate-like structure. Lamb wave modes are generated using a surface mounted piezoelectric (PZT) transducer which is actuated from the top surface. The proposed generalized Peri-elastodynamics method is not only capable of simulating two dimensional (2D) in plane wave under plane strain condition formulated previously but also capable of accurately simulating the out of plane Symmetric and Antisymmetric Lamb wave modes in plate like structures in 3D. For structural health monitoring (SHM) of plate-like structures and nondestructive evaluation (NDE) of MEMS devices, it is necessary to simulate the 3D wave-damage interaction scenarios and visualize the different wave features due to damages. Hence, in addition, to simulating the guided ultrasonic wave modes in pristine material, Lamb waves were also simulated in a damaged plate. The accuracy of the proposed technique is verified by comparing the modes generated in the plate and the mode shapes across the thickness of the plate with theoretical wave analysis.

  14. SUNYA Regional Climate Model Simulations of East Asia Summer Monsoon: Effects of Cloud Vertical Structure on the Surface Energy Balance

    Directory of Open Access Journals (Sweden)

    Wei Gong and Wei-Chyung Wang

    2007-01-01

    Full Text Available We used the State University of New York at Albany (SUNYA regional climate model to study the effect of cloud vertical distribution in affecting the surface energy balance of the East Asia summer monsoon (EASM. Simulations were conducted for the summers of 1988 and 1989, during which large contrast in the intra-seasonal cloud radiative forcing (CRF was observed at the top of the atmosphere. The model results indicate that both the high and low clouds are persistent throughout the summer months in both years. Because of large cloud water, low clouds significantly reduce the solar radiation flux reaching the surface, which nevertheless still dominate the surface energy balance, accounting for more than 50% of the surface heating. The low clouds also contribute significantly the downward longwave radiation to the surface with values strongly dependent on the cloud base temperature. The presence of low clouds effectively decreases the temperature and moisture gradients near surface, resulting in a substantial decrease in the sensible and latent heat fluxes from surface, which partially compensate the decrease of the net radiative cooling of the surface. For example, in the two days, May 8 and July 11 of 1988, the total cloud cover of 80% is simulated, but the respective low cloud cover (water was 63% (114 gm-2 and 22% (21 gm-2. As a result, the downward solar radiation is smaller by 161 Wm-2 in May 8. On the other hand, the cloud temperature was _ lower, yielding 56 Wm-2 smaller downward longwave radiation. The near surface temperature and gradient is more than _ smaller (and moisture gradient, leading to 21 and 81 Wm-2 smaller sensible heat and latent heat fluxes. It is also demonstrated that the model is capable to reproduce the intraseasonal variation of shortwave CRF, and catches the relationship between total cloud cover and SW CRF. The model results show the dominance of high cloud on the regional mean longwave CRF and low cloud on the intra

  15. Sensitivity of Climate Simulations to Land-Surface and Atmospheric Boundary-Layer Treatments-A Review.

    Science.gov (United States)

    Garratt, J. R.

    1993-03-01

    Aspects of the land-surface and boundary-layer treatments in some 20 or so atmospheric general circulation models (GCMS) are summarized. In only a small fraction of these have significant sensitivity studies been carried out and published. Predominantly, the sensitivity studies focus upon the parameterization of land-surface processes and specification of land-surface properties-the most important of these include albedo, roughness length, soil moisture status, and vegetation density. The impacts of surface albedo and soil moisture upon the climate simulated in GCMs with bare-soil land surfaces are well known. Continental evaporation and precipitation tend to decrease with increased albedo and decreased soil moisture availability. For example, results from numerous studies give an average decrease in continental precipitation of 1 mm day1 in response to an average albedo increase of 0.13. Few conclusive studies have been carried out on the impact of a gross roughness-length change-the primary study included an important statistical assessment of the impact upon the mean July climate around the globe of a decreased continental roughness (by three orders of magnitude). For example, such a decrease reduced the precipitation over Amazonia by 1 to 2 mm day1.The inclusion of a canopy scheme in a GCM ensures the combined impacts of roughness (canopies tend to be rougher than bare soil), albedo (canopies tend to be less reflective than bare soil), and soil-moisture availability (canopies prevent the near-surface soil region from drying out and can access the deep soil moisture) upon the simulated climate. The most revealing studies to date involve the regional impact of Amazonian deforestation. The results of four such studies show that replacing tropical forest with a degraded pasture results in decreased evaporation ( 1 mm day1) and precipitation (1-2 mm day1), and increased near-surface air temperatures (2 K).Sensitivity studies as a whole suggest the need for a

  16. Comparison of surface mass balance of ice sheets simulated by positive-degree-day method and energy balance approach

    Directory of Open Access Journals (Sweden)

    E. Bauer

    2017-07-01

    Full Text Available Glacial cycles of the late Quaternary are controlled by the asymmetrically varying mass balance of continental ice sheets in the Northern Hemisphere. Surface mass balance is governed by processes of ablation and accumulation. Here two ablation schemes, the positive-degree-day (PDD method and the surface energy balance (SEB approach, are compared in transient simulations of the last glacial cycle with the Earth system model of intermediate complexity CLIMBER-2. The standard version of the CLIMBER-2 model incorporates the SEB approach and simulates ice volume variations in reasonable agreement with paleoclimate reconstructions during the entire last glacial cycle. Using results from the standard CLIMBER-2 model version, we simulated ablation with the PDD method in offline mode by applying different combinations of three empirical parameters of the PDD scheme. We found that none of the parameter combinations allow us to simulate a surface mass balance of the American and European ice sheets that is similar to that obtained with the standard SEB method. The use of constant values for the empirical PDD parameters led either to too much ablation during the first phase of the last glacial cycle or too little ablation during the final phase. We then substituted the standard SEB scheme in CLIMBER-2 with the PDD scheme and performed a suite of fully interactive (online simulations of the last glacial cycle with different combinations of PDD parameters. The results of these simulations confirmed the results of the offline simulations: no combination of PDD parameters realistically simulates the evolution of the ice sheets during the entire glacial cycle. The use of constant parameter values in the online simulations leads either to a buildup of too much ice volume at the end of glacial cycle or too little ice volume at the beginning. Even when the model correctly simulates global ice volume at the last glacial maximum (21 ka, it is unable to simulate

  17. Numerical simulations and linear stability analysis of a boundary layer developed on wavy surfaces

    Science.gov (United States)

    Siconolfi, Lorenzo; Camarri, Simone; Fransson, Jens H. M.

    2015-11-01

    The development of passive methods leading to a laminar to turbulent transition delay in a boundary layer (BL) is a topic of great interest both for applications and academic research. In literature it has been shown that a proper and stable spanwise velocity modulation can reduce the growth rate of Tollmien-Schlichting (TS) waves and delay transition. In this study, we investigate numerically the possibility of obtaining a stabilizing effect of the TS waves through the use of a spanwise sinusoidal modulation of a flat plate. This type of control has been already successfully investigated experimentally. An extensive set of direct numerical simulations is carried out to study the evolution of a BL flow developed on wavy surfaces with different geometric characteristics, and the results will be presented here. Moreover, since this configuration is characterized by a slowly-varying flow field in streamwise direction, a local stability analysis is applied to define the neutral stability curves for the BL flow controlled by this type of wall modifications. These results give the possibility of investigating this control strategy and understanding the effect of the free parameters on the stabilization mechanism.

  18. A simulation model of distributions of radiational flux at leaf surfaces in crowns of fruit trees

    International Nuclear Information System (INIS)

    Yamamoto, T.

    1988-01-01

    A computer-model was constructed for estimating distributions with time of radiational fluxes at leaf surfaces throughout fruit tree canopies in which leaves did not distribute uniformely in three dimensional space. Several assumptions were set up to construct the model for approximation of using solid geometry. For irregular distribution of leaf area in three dimensional space data were used in the simulation as number of leaves per internal cubic bloc of a cubic grid (n-divided per side). Several main parameters used were peculiar to fruit species which contain parameters (λ, ν) of Beta function to calculate both probability density function of leaf area distribution with respect to inclination angle and leaf extinction coefficient for parallel beam by leaves parameters (A, R i ) to calculate stem extinction coefficient for parallel beam, and parameters (D i ) to calculate leaf extinction coefficient of downward transmission and downward reflection. With these data and parameters solid geometry and Lambert-Beer's law constituted this model

  19. Electrochemical treatment of simulated sugar industrial effluent: Optimization and modeling using a response surface methodology

    Directory of Open Access Journals (Sweden)

    P. Asaithambi

    2016-11-01

    Full Text Available The removal of organic compounds from a simulated sugar industrial effluent was investigated through the electrochemical oxidation technique. Effect of various experimental parameters such as current density, concentration of electrolyte and flow rate in a batch electrochemical reactor was studied on the percentage of COD removal and power consumption. The electrochemical reactor performance was analyzed based on with and without recirculation of the effluent having constant inter-electrodes distance. It was found out that the percentage removal of COD increased with the increase of electrolyte concentration and current density. The maximum percentage removal of COD was achieved at 80.74% at a current density of 5 A/dm2 and 5 g/L of electrolyte concentration in the batch electrochemical reactor. The recirculation electrochemical reactor system parameters like current density, concentration of COD and flow rate were optimized using response surface methodology, while COD removal percents were maximized and power consumption minimized. It has been observed from the present analysis that the predicted values are in good agreement with the experimental data with a correlation coefficient of 0.9888.

  20. Simulation study of melanoma detection in human skin tissues by laser-generated surface acoustic waves.

    Science.gov (United States)

    Chen, Kun; Fu, Xing; Dorantes-Gonzalez, Dante J; Lu, Zimo; Li, Tingting; Li, Yanning; Wu, Sen; Hu, Xiaotang

    2014-01-01

    Air pollution has been correlated to an increasing number of cases of human skin diseases in recent years. However, the investigation of human skin tissues has received only limited attention, to the point that there are not yet satisfactory modern detection technologies to accurately, noninvasively, and rapidly diagnose human skin at epidermis and dermis levels. In order to detect and analyze severe skin diseases such as melanoma, a finite element method (FEM) simulation study of the application of the laser-generated surface acoustic wave (LSAW) technique is developed. A three-layer human skin model is built, where LSAW’s are generated and propagated, and their effects in the skin medium with melanoma are analyzed. Frequency domain analysis is used as a main tool to investigate such issues as minimum detectable size of melanoma, filtering spectra from noise and from computational irregularities, as well as on how the FEM model meshing size and computational capabilities influence the accuracy of the results. Based on the aforementioned aspects, the analysis of the signals under the scrutiny of the phase velocity dispersion curve is verified to be a reliable, a sensitive, and a promising approach for detecting and characterizing melanoma in human skin.

  1. Ion-surface interaction: simulation of plasma-wall interaction (ITER)

    International Nuclear Information System (INIS)

    Salou, Pierre

    2013-01-01

    The wall materials of magnetic confinement in fusion machines are exposed to an aggressive environment; the reactor blanket is bombarded with a high flux of particles extracted from the plasma, leading to the sputtering of surface material. This sputtering causes wall erosion as well as plasma contamination problems. In order to control fusion reactions in complex reactors, it is thus imperative to well understand the plasma-wall interactions. This work proposes the study of the sputtering of fusion relevant materials. We propose to simulate the charged particles influx by few keV single-charged ion beams. This study is based on the catcher method; to avoid any problem of pollution (especially in the case of carbon) we designed a new setup allowing an in situ Auger electron spectroscopy analysis. The results provide the evolution of the angular distribution of the sputtering yield as a function of the ion mass (from helium to xenon) and its energy (from 3 keV to 9 keV). (author) [fr

  2. Simulation study of melanoma detection in human skin tissues by laser-generated surface acoustic waves

    Science.gov (United States)

    Chen, Kun; Fu, Xing; Dorantes-Gonzalez, Dante J.; Lu, Zimo; Li, Tingting; Li, Yanning; Wu, Sen; Hu, Xiaotang

    2014-07-01

    Air pollution has been correlated to an increasing number of cases of human skin diseases in recent years. However, the investigation of human skin tissues has received only limited attention, to the point that there are not yet satisfactory modern detection technologies to accurately, noninvasively, and rapidly diagnose human skin at epidermis and dermis levels. In order to detect and analyze severe skin diseases such as melanoma, a finite element method (FEM) simulation study of the application of the laser-generated surface acoustic wave (LSAW) technique is developed. A three-layer human skin model is built, where LSAW's are generated and propagated, and their effects in the skin medium with melanoma are analyzed. Frequency domain analysis is used as a main tool to investigate such issues as minimum detectable size of melanoma, filtering spectra from noise and from computational irregularities, as well as on how the FEM model meshing size and computational capabilities influence the accuracy of the results. Based on the aforementioned aspects, the analysis of the signals under the scrutiny of the phase velocity dispersion curve is verified to be a reliable, a sensitive, and a promising approach for detecting and characterizing melanoma in human skin.

  3. Image simulation and surface reconstruction of undercut features in atomic force microscopy

    Science.gov (United States)

    Qian, Xiaoping; Villarrubia, John; Tian, Fenglei; Dixson, Ronald

    2007-03-01

    CD-AFMs (critical dimension atomic force microscopes) are instruments with servo-control of the tip in more than one direction. With appropriately "boot-shaped" or flared tips, such instruments can image vertical or even undercut features. As with any AFM, the image is a dilation of the sample shape with the tip shape. Accurate extraction of the CD requires a correction for the tip effect. Analytical methods to correct images for the tip shape have been available for some time for the traditional (vertical feedback only) AFMs, but were until recently unavailable for instruments with multi-dimensional feedback. Dahlen et al. [J. Vac. Sci. Technol. B23, pp. 2297-2303, (2005)] recently introduced a swept-volume approach, implemented for 2-dimensional (2D) feedback. It permits image simulation and sample reconstruction, techniques previously developed for the traditional instruments, to be extended for the newer tools. We have introduced [X. Qian and J. S. Villarrubia, Ultramicroscopy, in press] an alternative dexel-based method, that does the same in either 2D or 3D. This paper describes the application of this method to sample shapes of interest in semiconductor manufacturing. When the tip shape is known (e.g., by prior measurement using a tip characterizer) a 3D sample surface may be reconstructed from its 3D image. Basing the CD measurement upon such a reconstruction is shown here to remove some measurement artifacts that are not removed (or are incompletely removed) by the existing measurement procedures.

  4. Fast simulated annealing inversion of surface waves on pavement using phase-velocity spectra

    Science.gov (United States)

    Ryden, N.; Park, C.B.

    2006-01-01

    The conventional inversion of surface waves depends on modal identification of measured dispersion curves, which can be ambiguous. It is possible to avoid mode-number identification and extraction by inverting the complete phase-velocity spectrum obtained from a multichannel record. We use the fast simulated annealing (FSA) global search algorithm to minimize the difference between the measured phase-velocity spectrum and that calculated from a theoretical layer model, including the field setup geometry. Results show that this algorithm can help one avoid getting trapped in local minima while searching for the best-matching layer model. The entire procedure is demonstrated on synthetic and field data for asphalt pavement. The viscoelastic properties of the top asphalt layer are taken into account, and the inverted asphalt stiffness as a function of frequency compares well with laboratory tests on core samples. The thickness and shear-wave velocity of the deeper embedded layers are resolved within 10% deviation from those values measured separately during pavement construction. The proposed method may be equally applicable to normal soil site investigation and in the field of ultrasonic testing of materials. ?? 2006 Society of Exploration Geophysicists.

  5. Prediction of residual stress distributions due to surface machining and welding and crack growth simulation under residual stress distribution

    International Nuclear Information System (INIS)

    Ihara, Ryohei; Katsuyama, JInya; Onizawa, Kunio; Hashimoto, Tadafumi; Mikami, Yoshiki; Mochizuki, Masahito

    2011-01-01

    Research highlights: → Residual stress distributions due to welding and machining are evaluated by XRD and FEM. → Residual stress due to machining shows higher tensile stress than welding near the surface. → Crack growth analysis is performed using calculated residual stress. → Crack growth result is affected machining rather than welding. → Machining is an important factor for crack growth. - Abstract: In nuclear power plants, stress corrosion cracking (SCC) has been observed near the weld zone of the core shroud and primary loop recirculation (PLR) pipes made of low-carbon austenitic stainless steel Type 316L. The joining process of pipes usually includes surface machining and welding. Both processes induce residual stresses, and residual stresses are thus important factors in the occurrence and propagation of SCC. In this study, the finite element method (FEM) was used to estimate residual stress distributions generated by butt welding and surface machining. The thermoelastic-plastic analysis was performed for the welding simulation, and the thermo-mechanical coupled analysis based on the Johnson-Cook material model was performed for the surface machining simulation. In addition, a crack growth analysis based on the stress intensity factor (SIF) calculation was performed using the calculated residual stress distributions that are generated by welding and surface machining. The surface machining analysis showed that tensile residual stress due to surface machining only exists approximately 0.2 mm from the machined surface, and the surface residual stress increases with cutting speed. The crack growth analysis showed that the crack depth is affected by both surface machining and welding, and the crack length is more affected by surface machining than by welding.

  6. 3-D numerical simulation on the vibration of liquid sodium's free surface in sodium pool of FBR

    International Nuclear Information System (INIS)

    Han Biao; Yao Zhaohui; Ye Hongkai; Wang Xuefang

    1997-01-01

    This paper succeeds in simulating three-dimensional incompressible flows with free surface, complicated in-flow and out-flow boundary conditions and internal obstacles, and also can treat these fluid flows in arbitrary shape vessel using a partial cell. According to all kinds of the element influencing the free surface's vibration in sodium pool it may give the various wave's form, the highest and lowest position, and the amount of the vibration. This paper introduces the brief principle of VOF numerical method, develops the computational program based on NASA-VOF3D, provides some results about the free surface's vibration in sodium pool of FBR

  7. A non-linear and stochastic response surface method for Bayesian estimation of uncertainty in soil moisture simulation from a land surface model

    Directory of Open Access Journals (Sweden)

    F. Hossain

    2004-01-01

    Full Text Available This study presents a simple and efficient scheme for Bayesian estimation of uncertainty in soil moisture simulation by a Land Surface Model (LSM. The scheme is assessed within a Monte Carlo (MC simulation framework based on the Generalized Likelihood Uncertainty Estimation (GLUE methodology. A primary limitation of using the GLUE method is the prohibitive computational burden imposed by uniform random sampling of the model's parameter distributions. Sampling is improved in the proposed scheme by stochastic modeling of the parameters' response surface that recognizes the non-linear deterministic behavior between soil moisture and land surface parameters. Uncertainty in soil moisture simulation (model output is approximated through a Hermite polynomial chaos expansion of normal random variables that represent the model's parameter (model input uncertainty. The unknown coefficients of the polynomial are calculated using limited number of model simulation runs. The calibrated polynomial is then used as a fast-running proxy to the slower-running LSM to predict the degree of representativeness of a randomly sampled model parameter set. An evaluation of the scheme's efficiency in sampling is made through comparison with the fully random MC sampling (the norm for GLUE and the nearest-neighborhood sampling technique. The scheme was able to reduce computational burden of random MC sampling for GLUE in the ranges of 10%-70%. The scheme was also found to be about 10% more efficient than the nearest-neighborhood sampling method in predicting a sampled parameter set's degree of representativeness. The GLUE based on the proposed sampling scheme did not alter the essential features of the uncertainty structure in soil moisture simulation. The scheme can potentially make GLUE uncertainty estimation for any LSM more efficient as it does not impose any additional structural or distributional assumptions.

  8. Chemical Modification: an Effective Way of Avoiding the Collapse of SWNTs on Al Surface Revealed by Molecular Dynamics Simulations

    DEFF Research Database (Denmark)

    Xie, J.; Xue, Q. Z.; Yan, K. Y.

    2009-01-01

    The rapid collapse of intrinsic single-walled carbon nanotube (SWNT) on the aluminum surface is observed using molecular dynamics simulation. The collapsing threshold is similar to 10 angstrom, and the length has no influence on its collapse. Furthermore, we report that the structural stability o...

  9. Variations in calcite growth kinetics with surface topography: molecular dynamics simulations and process-based growth kinetics modelling

    NARCIS (Netherlands)

    Wolthers, M.; Di Tommaso, D.; Du, Zhimei; de Leeuw, Nora H.

    2013-01-01

    It is generally accepted that cation dehydration is the rate-limiting step to crystal growth from aqueous solution. Here we employ classical molecular dynamics simulations to show that the water exchange frequency at structurally distinct calcium sites in the calcite surface varies by about two

  10. Validation of simulations of an underwater acoustic communication channel characterized by wind-generated surface waves and bubbles

    NARCIS (Netherlands)

    Dol, H.S.; Colin, M.E.G.D.; Ainlie, M.A.; Gerdes, F.; Schäfke, A.; Özkan Sertlekc, H.

    2013-01-01

    This paper shows that it is possible to simulate realistic shallow-water acoustic communication channels using available acoustic propagation models. Key factor is the incorporation of realistic time-dependent sea surface conditions, including both waves and bubbles due to wind.

  11. Growth of non-axisymmetric disturbances of the free surface in the filament stretching rheometer: experiments and simulation

    DEFF Research Database (Denmark)

    Rasmussen, Henrik Koblitz; Bach, Anders; Longin, Pierre-Yves

    2002-01-01

    A filament stretching rheometer has been equipped with a bottom plate with a number of equally distributed perturbations of the circular rim. The temporal development of the resulting disturbance of the meniscus is followed with video recording and with simulations. At high strain rates the surface...

  12. Computational simulation of biomolecules transport with multi-physics near microchannel surface for development of biomolecules-detection devices.

    Science.gov (United States)

    Suzuki, Yuma; Shimizu, Tetsuhide; Yang, Ming

    2017-01-01

    The quantitative evaluation of the biomolecules transport with multi-physics in nano/micro scale is demanded in order to optimize the design of microfluidics device for the biomolecules detection with high detection sensitivity and rapid diagnosis. This paper aimed to investigate the effectivity of the computational simulation using the numerical model of the biomolecules transport with multi-physics near a microchannel surface on the development of biomolecules-detection devices. The biomolecules transport with fluid drag force, electric double layer (EDL) force, and van der Waals force was modeled by Newtonian Equation of motion. The model validity was verified in the influence of ion strength and flow velocity on biomolecules distribution near the surface compared with experimental results of previous studies. The influence of acting forces on its distribution near the surface was investigated by the simulation. The trend of its distribution to ion strength and flow velocity was agreement with the experimental result by the combination of all acting forces. Furthermore, EDL force dominantly influenced its distribution near its surface compared with fluid drag force except for the case of high velocity and low ion strength. The knowledges from the simulation might be useful for the design of biomolecules-detection devices and the simulation can be expected to be applied on its development as the design tool for high detection sensitivity and rapid diagnosis in the future.

  13. Simulation of Sentinel-3 images by four stream surface atmosphere radiative transfer modeling in the optical and thermal domains

    NARCIS (Netherlands)

    Verhoef, W.; Bach, H.

    2012-01-01

    Simulation of future satellite images can be applied in order to validate the general mission concept and to test the performance of advanced multi-sensor algorithms for the retrieval of surface parameters. This paper describes the radiative transfer modeling part of a so-called Land Scene Generator

  14. A Regional Model for Malaria Vector Developmental Habitats Evaluated Using Explicit, Pond-Resolving Surface Hydrology Simulations.

    Directory of Open Access Journals (Sweden)

    Ernest Ohene Asare

    Full Text Available Dynamical malaria models can relate precipitation to the availability of vector breeding sites using simple models of surface hydrology. Here, a revised scheme is developed for the VECTRI malaria model, which is evaluated alongside the default scheme using a two year simulation by HYDREMATS, a 10 metre resolution, village-scale model that explicitly simulates individual ponds. Despite the simplicity of the two VECTRI surface hydrology parametrization schemes, they can reproduce the sub-seasonal evolution of fractional water coverage. Calibration of the model parameters is required to simulate the mean pond fraction correctly. The default VECTRI model tended to overestimate water fraction in periods subject to light rainfall events and underestimate it during periods of intense rainfall. This systematic error was improved in the revised scheme by including the a parametrization for surface run-off, such that light rainfall below the initial abstraction threshold does not contribute to ponds. After calibration of the pond model, the VECTRI model was able to simulate vector densities that compared well to the detailed agent based model contained in HYDREMATS without further parameter adjustment. Substituting local rain-gauge data with satellite-retrieved precipitation gave a reasonable approximation, raising the prospects for regional malaria simulations even in data sparse regions. However, further improvements could be made if a method can be derived to calibrate the key hydrology parameters of the pond model in each grid cell location, possibly also incorporating slope and soil texture.

  15. A Regional Model for Malaria Vector Developmental Habitats Evaluated Using Explicit, Pond-Resolving Surface Hydrology Simulations.

    Science.gov (United States)

    Asare, Ernest Ohene; Tompkins, Adrian Mark; Bomblies, Arne

    2016-01-01

    Dynamical malaria models can relate precipitation to the availability of vector breeding sites using simple models of surface hydrology. Here, a revised scheme is developed for the VECTRI malaria model, which is evaluated alongside the default scheme using a two year simulation by HYDREMATS, a 10 metre resolution, village-scale model that explicitly simulates individual ponds. Despite the simplicity of the two VECTRI surface hydrology parametrization schemes, they can reproduce the sub-seasonal evolution of fractional water coverage. Calibration of the model parameters is required to simulate the mean pond fraction correctly. The default VECTRI model tended to overestimate water fraction in periods subject to light rainfall events and underestimate it during periods of intense rainfall. This systematic error was improved in the revised scheme by including the a parametrization for surface run-off, such that light rainfall below the initial abstraction threshold does not contribute to ponds. After calibration of the pond model, the VECTRI model was able to simulate vector densities that compared well to the detailed agent based model contained in HYDREMATS without further parameter adjustment. Substituting local rain-gauge data with satellite-retrieved precipitation gave a reasonable approximation, raising the prospects for regional malaria simulations even in data sparse regions. However, further improvements could be made if a method can be derived to calibrate the key hydrology parameters of the pond model in each grid cell location, possibly also incorporating slope and soil texture.

  16. Simulated non-contact atomic force microscopy for GaAs surfaces based on real-space pseudopotentials

    International Nuclear Information System (INIS)

    Kim, Minjung; Chelikowsky, James R.

    2014-01-01

    We simulate non-contact atomic force microscopy (AFM) with a GaAs(1 1 0) surface using a real-space ab initio pseudopotential method. While most ab initio simulations include an explicit model for the AFM tip, our method does not introduce the tip modeling step. This approach results in a considerable reduction of computational work, and also provides complete AFM images, which can be directly compared to experiment. By analyzing tip-surface interaction forces in both our results and previous ab initio simulations, we find that our method provides very similar force profile to the pure Si tip results. We conclude that our method works well for systems in which the tip is not chemically active.

  17. Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

    Science.gov (United States)

    Sornborger, Andrew T.; Stancil, Phillip; Geller, Michael R.

    2018-05-01

    One of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputed potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born-Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈ 10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3-8 channels and circuit depths < 1000.

  18. Effects of microwave electric fields on the translational diffusion of dipolar molecules in surface potential: A simulation study

    Science.gov (United States)

    Kapranov, Sergey V.; Kouzaev, Guennadi A.

    2018-01-01

    Variations of effective diffusion coefficient of polar molecules exposed to microwave electric fields in a surface potential are studied by solving coupled stochastic differential equations of motion with a deterministic component of the surface force. Being an essential tool for the simulation interpretation, a theoretical approach to effective diffusion in surface potential is first developed. The effective diffusion coefficient is represented as the product of the normal diffusion coefficient and potential-dependent correction function, whose temperature dependence is close to the Arrhenius form. The analytically found zero-diffusion condition defines the state of thermal equilibrium at the surface. The diffusion of a water-like dipole molecule in the potential of graphite surface is simulated in the field-free conditions and in the presence of the alternating electric fields of various magnitude intensities and frequencies. Temperature dependence of the correction function exhibits field-induced variations of the effective Lennard-Jones energy parameter. It demonstrates maximum departure from the zero-field value at certain frequencies and intensities, which is associated with variations in the rotational dynamics. A concept of the amplitude-frequency resonance put forward to interpret the simulation results is explained using a heuristic reasoning and is corroborated by semi-quantitative considerations in terms of the Dissado-Hill cluster theory of dielectric relaxation.

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

    Science.gov (United States)

    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.

  20. 21st century changes in the surface mass balance of the Greenland ice sheet simulated with the global model CESM

    Science.gov (United States)

    Vizcaíno, M.; Lipscomb, W. H.; Van den Broeke, M.

    2012-04-01

    We present here the first projections of 21st century surface mass balance change of the Greenland ice sheet simulated with the Community Earth System Model (CESM). CESM is a fully-coupled, global climate model developed at many research centers and universities, primarily in the U.S. The model calculates the surface mass balance in the land component (the Community Land Model, CLM), at the same resolution as the atmosphere (1 degree), with an energy-balance scheme. The snow physics included in CLM for non-glaciated surfaces (SNiCAR model, Flanner and Zender, 2005) are used over the ice sheet. The surface mass balance is calculated for 10 elevation classes, and then downscaled to the grid of the ice sheet model (5 km in this case) via vertical linear interpolation between elevation classes combined with horizontal bilinear interpolation. The ice sheet topography is fixed at present-day values for the simulations presented here. The use of elevation classes reduces computational costs while giving results that reproduce well the mass balance gradients at the steep margins of the ice sheet. The simulated present-day surface mass balance agrees well with results from regional models. We focus on the regional model RACMO (Ettema et al. 2009) to compare the results on 20th-century surface mass balance evolution and two-dimensional patterns. The surface mass balance of the ice sheet under RCP8.5. forcing becomes negative in the last decades of the 21st century. The equilibrium line becomes ~500 m higher on average. Accumulation changes are positive in the accumulation zone. We examine changes in refreezing, accumulation, albedo, surface fluxes, and the timing of the melt season.

  1. Effect of surface free energies on the heterogeneous nucleation of water droplet: A molecular dynamics simulation approach

    Energy Technology Data Exchange (ETDEWEB)

    Xu, W.; Lan, Z.; Peng, B. L.; Wen, R. F.; Ma, X. H., E-mail: xuehuma@dlut.edu.cn [Liaoning Provincial Key Laboratory of Clean Utilization of Chemical Resources, Institute of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China)

    2015-02-07

    Heterogeneous nucleation of water droplet on surfaces with different solid-liquid interaction intensities is investigated by molecular dynamics simulation. The interaction potentials between surface atoms and vapor molecules are adjusted to obtain various surface free energies, and the nucleation process and wetting state of nuclei on surfaces are investigated. The results indicate that near-constant contact angles are already established for nano-scale nuclei on various surfaces, with the contact angle decreasing with solid-liquid interaction intensities linearly. Meanwhile, noticeable fluctuation of vapor-liquid interfaces can be observed for the nuclei that deposited on surfaces, which is caused by the asymmetric forces from vapor molecules. The formation and growth rate of nuclei are increasing with the solid-liquid interaction intensities. For low energy surface, the attraction of surface atoms to water molecules is comparably weak, and the pre-existing clusters can depart from the surface and enter into the bulk vapor phase. The distribution of clusters within the bulk vapor phase becomes competitive as compared with that absorbed on surface. For moderate energy surfaces, heterogeneous nucleation predominates and the formation of clusters within bulk vapor phase is suppressed. The effect of high energy particles that embedded in low energy surface is also discussed under the same simulation system. The nucleation preferably initiates on the high energy particles, and the clusters that formed on the heterogeneous particles are trapped around their original positions instead of migrating around as that observed on smooth surfaces. This feature makes it possible for the heterogeneous particles to act as fixed nucleation sites, and simulation results also suggest that the number of nuclei increases monotonously with the number of high energy particles. The growth of nuclei on high energy particles can be divided into three sub-stages, beginning with the formation

  2. Atomistic simulation of the coupled adsorption and unfolding of protein GB1 on the polystyrenes nanoparticle surface

    Science.gov (United States)

    Xiao, HuiFang; Huang, Bin; Yao, Ge; Kang, WenBin; Gong, Sheng; Pan, Hai; Cao, Yi; Wang, Jun; Zhang, Jian; Wang, Wei

    2018-03-01

    Understanding the processes of protein adsorption/desorption on nanoparticles' surfaces is important for the development of new nanotechnology involving biomaterials; however, an atomistic resolution picture for these processes and for the simultaneous protein conformational change is missing. Here, we report the adsorption of protein GB1 on a polystyrene nanoparticle surface using atomistic molecular dynamic simulations. Enabled by metadynamics, we explored the relevant phase space and identified three protein states, each involving both the adsorbed and desorbed modes. We also studied the change of the secondary and tertiary structures of GB1 during adsorption and the dominant interactions between the protein and surface in different adsorption stages. The results we obtained from simulation were found to be more adequate and complete than the previous one. We believe the model presented in this paper, in comparison with the previous ones, is a better theoretical model to understand and explain the experimental results.

  3. A wear simulation study of nanostructured CVD diamond-on-diamond articulation involving concave/convex mating surfaces

    Science.gov (United States)

    Baker, Paul A.; Thompson, Raymond G.; Catledge, Shane A.

    2015-01-01

    Using microwave-plasma Chemical Vapor Deposition (CVD), a 3-micron thick nanostructured-diamond (NSD) layer was deposited onto polished, convex and concave components that were machined from Ti-6Al-4V alloy. These components had the same radius of curvature, 25.4mm. Wear testing of the surfaces was performed by rotating articulation of the diamond-deposited surfaces (diamond-on-diamond) with a load of 225N for a total of 5 million cycles in bovine serum resulting in polishing of the diamond surface and formation of very shallow, linear wear grooves of less than 50nm depth. The two diamond surfaces remained adhered to the components and polished each other to an average surface roughness that was reduced by as much as a factor of 80 for the most polished region located at the center of the condyle. Imaging of the surfaces showed that the initial wearing-in phase of diamond was only beginning at the end of the 5 million cycles. Atomic force microscopy, scanning electron microscopy, Raman spectroscopy, and surface profilometry were used to characterize the surfaces and verify that the diamond remained intact and uniform over the surface, thereby protecting the underlying metal. These wear simulation results show that diamond deposition on Ti alloy has potential application for joint replacement devices with improved longevity over existing devices made of cobalt chrome and ultra-high molecular weight polyethylene (UHMWPE). PMID:26989457

  4. A new Monte Carlo code for simulation of the effect of irregular surfaces on X-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Brunetti, Antonio, E-mail: brunetti@uniss.it; Golosio, Bruno

    2014-04-01

    Generally, quantitative X-ray fluorescence (XRF) analysis estimates the content of chemical elements in a sample based on the areas of the fluorescence peaks in the energy spectrum. Besides the concentration of the elements, the peak areas depend also on the geometrical conditions. In fact, the estimate of the peak areas is simple if the sample surface is smooth and if the spectrum shows a good statistic (large-area peaks). For this reason often the sample is prepared as a pellet. However, this approach is not always feasible, for instance when cultural heritage or valuable samples must be analyzed. In this case, the sample surface cannot be smoothed. In order to address this problem, several works have been reported in the literature, based on experimental measurements on a few sets of specific samples or on Monte Carlo simulations. The results obtained with the first approach are limited by the specific class of samples analyzed, while the second approach cannot be applied to arbitrarily irregular surfaces. The present work describes a more general analysis tool based on a new fast Monte Carlo algorithm, which is virtually able to simulate any kind of surface. At the best of our knowledge, it is the first Monte Carlo code with this option. A study of the influence of surface irregularities on the measured spectrum is performed and some results reported. - Highlights: • We present a fast Monte Carlo code with the possibility to simulate any irregularly rough surfaces. • We show applications to multilayer measurements. • Real time simulations are available.

  5. Dynamics of epiretinal membrane removal off the retinal surface: a computer simulation project.

    Science.gov (United States)

    Dogramaci, Mahmut; Williamson, Tom H

    2013-09-01

    To use a computer simulation to discern the safest angle at which to peel epiretinal membranes. We used ANSYS V.14.1 software to analyse the dynamics involved in membrane removal off the retinal surface. The geometrical values were taken from optical coherence tomography of 30 eyes with epiretinal membranes. A range of Young's modulus values of 0.03, 0.01 and 0.09 MPa were assigned to the epiretinal membrane and to the retina separately. The ratio of maximum shear stress (MSS) recorded at the attachment pegs over that recorded at the membrane (P/E ratio) was determined at nine displacement angles (DA). Mean MSS values recorded at the attachment pegs, epiretinal membrane and retina were significantly different at 0.8668, 0.6091 and 0.0017 Pa consecutively (p<0.05). There was a significant negative linear correlation between DA and MSS recorded at the epiretinal membrane when the Young's modulus for the epiretinal membrane was higher than or equal to that for the attachment pegs and the retina. Nevertheless, there was a significant positive linear correlation between DA and P/E ratio when the Young's modulus for the epiretinal membrane was equal to or lower than that for the attachment pegs and the retina. Attachment pegs appear to be the most likely part to fail (tear) during removal procedures. Changing the direction at which the edge of the membrane is pulled can relocate the MSS within in the tissue complex. Safer and effective removal could be achieved by pulling epiretinal membranes onto themselves at 165° DA.

  6. Surface 3D nanostructuring by tightly focused laser pulse: simulations by Lagrangian code and molecular dynamics

    Science.gov (United States)

    Inogamov, Nail A.; Zhakhovsky, Vasily V.

    2016-02-01

    There are many important applications in which the ultrashort diffraction-limited and therefore tightly focused laser pulses irradiates metal films mounted on dielectric substrate. Here we present the detailed picture of laser peeling and 3D structure formation of the thin (relative to a depth of a heat affected zone in the bulk targets) gold films on glass substrate. The underlying physics of such diffraction-limited laser peeling was not well understood previously. Our approach is based on a physical model which takes into consideration the new calculations of the two-temperature (2T) equation of state (2T EoS) and the two-temperature transport coefficients together with the coupling parameter between electron and ion subsystems. The usage of the 2T EoS and the kinetic coefficients is required because absorption of an ultrashort pulse with duration of 10-1000 fs excites electron subsystem of metal and transfers substance into the 2T state with hot electrons (typical electron temperatures 1-3 eV) and much colder ions. It is shown that formation of submicrometer-sized 3D structures is a result of the electron-ion energy transfer, melting, and delamination of film from substrate under combined action of electron and ion pressures, capillary deceleration of the delaminated liquid metal or semiconductor, and ultrafast freezing of molten material. We found that the freezing is going in non-equilibrium regime with strongly overcooled liquid phase. In this case the Stefan approximation is non-applicable because the solidification front speed is limited by the diffusion rate of atoms in the molten material. To solve the problem we have developed the 2T Lagrangian code including all this reach physics in. We also used the high-performance combined Monte- Carlo and molecular dynamics code for simulation of surface 3D nanostructuring at later times after completion of electron-ion relaxation.

  7. Do European Standard Disinfectant tests truly simulate in-use microbial and organic soiling conditions on food preparation surfaces?

    Science.gov (United States)

    Meyer, B; Morin, V N; Rödger, H-J; Holah, J; Bird, C

    2010-04-01

    The results from European standard disinfectant tests are used as one basis to approve the use of disinfectants in Europe. The design of these laboratory-based tests should thus simulate as closely as possible the practical conditions and challenges that the disinfectants would encounter in use. No evidence is available that the organic and microbial loading in these tests simulates actual levels in the food service sector. Total organic carbon (TOC) and total viable count (TVC) were determined on 17 visibly clean and 45 visibly dirty surfaces in two restaurants and the food preparation surfaces of a large retail store. These values were compared to reference values recovered from surfaces soiled with the organic and microbial loading, following the standard conditions of the European Surface Test for bactericidal efficacy, EN 13697. The TOC reference values for clean and dirty conditions were higher than the data from practice, but cannot be regarded as statistical outliers. This was considered as a conservative assessment; however, as additional nine TOC samples from visibly dirty surfaces were discarded from the analysis, as their loading made them impossible to process. Similarly, the recovery of test organisms from surfaces contaminated according to EN 13697 was higher than the TVC from visibly dirty surfaces in practice; though they could not be regarded as statistical outliers of the whole data field. No correlation was found between TVC and TOC in the sampled data, which re-emphasizes the potential presence of micro-organisms on visibly clean surfaces and thus the need for the same degree of disinfection as visibly dirty surfaces. The organic soil and the microbial burden used in EN disinfectant standards represent a realistic worst-case scenario for disinfectants used in the food service and food-processing areas.

  8. Quantized Advantages to a Proposed Satellite at L5 from Simulated Synoptic Magnetograms

    Science.gov (United States)

    Schwarz, A. M.; Petrie, G. J. D.

    2017-12-01

    The dependency the Earth and its inhabitants have on the Sun is delicate and complex and sometimes dangerous. At the NSO, we provide 24/7 coverage of the full-disk solar magnetic field used in solar forecasting, however this only includes data from the Sun's Earth facing side. Ideally we would like to have constant coverage of the entire solar surface, however we are limited in our solar viewing angle. Our project attempts to quantify the advantages of full-disk magnetograms from a proposed satellite at L5. With instrumentation at L5 we would have an additional 60 degrees of solar surface coverage not seen from Earth. These 60 degrees crucially contain the solar longitudes that are about to rotate towards Earth. Using a full-surface flux-transport model of the evolving solar photospheric field, I created a simulation of full-disk observations from Earth and L5. Using standard solar forecasting tools we quantify the relative accuracy of the Earth-Only and Earth plus L5 forecasts relative to the "ground truth" of the full surface field model, the ideal case. My results gauge exactly how much polar coverage is improved, contrast the spherical multipoles of each model, and use a Potential-Field Source-Surface (PFSS) magnetic field analysis model to find comparisons in the neutral lines and open field coverage.

  9. Simulation of the Impact of New Aircraft- and Satellite-based Ocean Surface Wind Measurements on Estimates of Hurricane Intensity

    Science.gov (United States)

    Uhlhorn, Eric; Atlas, Robert; Black, Peter; Buckley, Courtney; Chen, Shuyi; El-Nimri, Salem; Hood, Robbie; Johnson, James; Jones, Linwood; Miller, Timothy; hide

    2009-01-01

    The Hurricane Imaging Radiometer (HIRAD) is a new airborne microwave remote sensor currently under development to enhance real-time hurricane ocean surface wind observations. HIRAD builds on the capabilities of the Stepped Frequency Microwave Radiometer (SFMR), which now operates on NOAA P-3, G-4, and AFRC C-130 aircraft. Unlike the SFMR, which measures wind speed and rain rate along the ground track directly beneath the aircraft, HIRAD will provide images of the surface wind and rain field over a wide swath (approximately 3 times the aircraft altitude). To demonstrate potential improvement in the measurement of peak hurricane winds, we present a set of Observing System Simulation Experiments (OSSEs) in which measurements from the new instrument as well as those from existing platforms (air, surface, and space-based) are simulated from the output of a high-resolution (approximately 1.7 km) numerical model. Simulated retrieval errors due to both instrument noise as well as model function accuracy are considered over the expected range of incidence angles, wind speeds and rain rates. Based on numerous simulated flight patterns and data source combinations, statistics are developed to describe relationships between the observed and true (from the model s perspective) peak wind speed. These results have implications for improving the estimation of hurricane intensity (as defined by the peak sustained wind anywhere in the storm), which may often go un-observed due to sampling limitations.

  10. 2D particle-in-cell simulation of the entire process of surface flashover on insulator in vacuum

    Science.gov (United States)

    Wang, Hongguang; Zhang, Jianwei; Li, Yongdong; Lin, Shu; Zhong, Pengfeng; Liu, Chunliang

    2018-04-01

    With the introduction of an external circuit model and a gas desorption model, the surface flashover on the plane insulator-vacuum interface perpendicular to parallel electrodes is simulated by a Particle-In-Cell method. It can be seen from simulations that when the secondary electron emission avalanche (SEEA) occurs, the current sharply increases because of the influence of the insulator surface charge on the cathode field emission. With the introduction of the gas desorption model, the current keeps on increasing after SEEA, and then the feedback of the external circuit causes the voltage between the two electrodes to decrease. The cathode emission current decreases, while the anode current keeps growing. With the definition that flashover occurs when the diode voltage drops by more than 20%, we obtained the simulated flashover voltage which agrees with the experimental value with the use of the field enhancement factor β = 145 and the gas molecule desorption coefficient γ=0.25 . From the simulation results, we can also see that the time delay of flashover decreases exponentially with voltage. In addition, from the gas desorption model, the gas density on the insulator surface is found to be proportional to the square of the gas desorption rate and linear with time.

  11. Flood Simulations and Uncertainty Analysis for the Pearl River Basin Using the Coupled Land Surface and Hydrological Model System

    Directory of Open Access Journals (Sweden)

    Yongnan Zhu

    2017-06-01

    Full Text Available The performances of hydrological simulations for the Pearl River Basin in China were analysed using the Coupled Land Surface and Hydrological Model System (CLHMS. Three datasets, including East Asia (EA, high-resolution gauge satellite-merged China Merged Precipitation Analysis (CMPA-Daily, and the Asian Precipitation Highly-Resolved Observational Data Integration Towards Evaluation (APHRODITE daily precipitation were used to drive the CLHMS model to simulate daily hydrological processes from 1998 to 2006. The results indicate that the precipitation data was the most important source of uncertainty in the hydrological simulation. The simulated streamflow driven by the CMPA-Daily agreed well with observations, with a Pearson correlation coefficient (PMC greater than 0.70 and an index of agreement (IOA similarity coefficient greater than 0.82 at Liuzhou, Shijiao, and Wuzhou Stations. Comparison of the Nash-Sutcliffe efficiency coefficient (NSE shows that the peak flow simulation ability of CLHMS driven with the CMPA-Daily rainfall is relatively superior to that with the EA and APHRODITE datasets. The simulation results for the high-flow periods in 1998 and 2005 indicate that the CLHMS is promising for its future application in the flood simulation and prediction.

  12. Simulation of trace metals and PAH atmospheric pollution over Greater Paris: Concentrations and deposition on urban surfaces

    Science.gov (United States)

    Thouron, L.; Seigneur, C.; Kim, Y.; Legorgeu, C.; Roustan, Y.; Bruge, B.

    2017-10-01

    Urban areas can be subject not only to poor air quality, but also to contamination of other environmental media by air pollutants. Here, we address the potential transfer of selected air pollutants (two metals and three PAH) to urban surfaces. To that end, we simulate meteorology and air pollution from Europe to a Paris suburban neighborhood, using a four-level one-way nesting approach. The meteorological and air quality simulations use urban canopy sub-models in order to better represent the effect of the urban morphology on the air flow, atmospheric dispersion, and deposition of air pollutants to urban surfaces. This modeling approach allows us to distinguish air pollutant deposition among various urban surfaces (roofs, roads, and walls). Meteorological model performance is satisfactory, showing improved results compared to earlier simulations, although precipitation amounts are underestimated. Concentration simulation results are also satisfactory for both metals, with a fractional bias Paris region. The model simulation results suggest that both wet and dry deposition processes need to be considered when estimating the transfer of air pollutants to other environmental media. Dry deposition fluxes to various urban surfaces are mostly uniform for PAH, which are entirely present in fine particles. However, there is significantly less wall deposition compared to deposition to roofs and roads for trace metals, due to their coarse fraction. Meteorology, particle size distribution, and urban morphology are all important factors affecting air pollutant deposition. Future work should focus on the collection of data suitable to evaluate the performance of atmospheric models for both wet and dry deposition with fine spatial resolution.

  13. Role of Surface Energy Exchange for Simulating Wind Turbine Inflow: A Case Study in the Southern Great Plains, USA

    Directory of Open Access Journals (Sweden)

    Sonia Wharton

    2014-12-01

    Full Text Available The Weather Research and Forecasting (WRF model is used to investigate choice of land surface model (LSM on the near surface wind profile, including heights reached by multi-megawatt (MW wind turbines. Simulations of wind profiles and surface energy fluxes were made using five LSMs of varying degrees of sophistication in dealing with soil–plant–atmosphere feedbacks for the Department of Energy (DOE Southern Great Plains (SGP Atmospheric Radiation Measurement Program (ARM Central Facility in Oklahoma, USA. Surface flux and wind profile measurements were available for validation. WRF was run for three, two-week periods covering varying canopy and meteorological conditions. The LSMs predicted a wide range of energy flux and wind shear magnitudes even during the cool autumn period when we expected less variability. Simulations of energy fluxes varied in accuracy by model sophistication, whereby LSMs with very simple or no soil–plant–atmosphere feedbacks were the least accurate; however, the most complex models did not consistently produce more accurate results. Errors in wind shear were also sensitive to LSM choice and were partially related to energy flux accuracy. The variability of LSM performance was relatively high suggesting that LSM representation of energy fluxes in WRF remains a large source of model uncertainty for simulating wind turbine inflow conditions.

  14. Comparison of energy fluxes at the land surface-atmosphere interface in an Alpine valley as simulated with different models

    Directory of Open Access Journals (Sweden)

    G. Grossi

    2003-01-01

    Full Text Available Within the framework of a research project coupling meteorological and hydrological models in mountainous areas a distributed Snow-Soil-Vegetation-Atmosphere Transfer model was developed and applied to simulate the energy fluxes at the land surface – atmosphere interface in an Alpine valley (Toce Valley - North Italy during selected flood events in the last decade. Energy fluxes simulated by the distributed energy transfer model were compared with those simulated by a limited area meteorological model for the event of June 1997 and the differences in the spatial and temporal distribution. The Snow/Soil-Vegetation-Atmosphere Transfer model was also applied to simulate the energy fluxes at the land surface-atmosphere interface for a single cell, assumed to be representative of the Siberia site (Toce Valley, where a micro-meteorological station was installed and operated for 2.5 months in autumn 1999. The Siberia site is very close to the Nosere site, where a standard meteorological station was measuring precipitation, air temperature and humidity, global and net radiation and wind speed during the same special observing period. Data recorded by the standard meteorological station were used to force the energy transfer model and simulate the point energy fluxes at the Siberia site, while turbulent fluxes observed at the Siberia site were used to derive the latent heat flux from the energy balance equation. Finally, the hourly evapotranspiration flux computed by this procedure was compared to the evapotranspiration flux simulated by the energy transfer model. Keywords: energy exchange processes, land surface-atmosphere interactions, turbulent fluxes

  15. Response surface method applied to the thermoeconomic optimization of a complex cogeneration system modeled in a process simulator

    International Nuclear Information System (INIS)

    Pires, Thiago S.; Cruz, Manuel E.; Colaço, Marcelo J.

    2013-01-01

    This work presents the application of a surrogate model – a response surface – to replace the objective function to be minimized in the thermoeconomic optimization of a complex thermal system modeled with the aid of an expert process simulator. The objective function accounts for fuel, capital, operation and maintenance costs of the thermal system, and depends on nine decision variables. The minimization task is performed through the computational integration of two professional programs, a process simulator and a mathematical platform. Five algorithms are used to perform the optimization: the pattern search and genetic algorithms, both available in the mathematical platform, plus three custom-coded algorithms, differential evolution, particle swarm and simulated annealing. A comparative analysis of the performance of all five methods is presented, together with a critical appraisal of the surrogate model effectiveness. In the course of the optimization procedure, the process simulator computes the thermodynamic properties of all flows of the thermal system and solves the mass and energy balances each time the objective function has to be evaluated. By handling a set of radial basis functions as an approximation model to the original computationally expensive objective function, it is found here that the number of function evaluations can be appreciably reduced without significant deviation of the optimal value. The present study indicates that, for a thermoeconomic system optimization problem with a large number of decision variables and/or a costly objective function, the application of the response surface surrogate may prove more efficient than the original simulation model, reducing substantially the computational time involved in the optimization. - Highlights: ► A successful response surface method was proposed. ► The surrogate model may be more efficient than the original simulation model. ► Relative differences of less than 5% were found for the

  16. Linear and non-linear simulation of joints contact surface using ...

    African Journals Online (AJOL)

    The joint modelling including non-linear effects needs accurate and precise study of their behaviors. When joints are under the dynamic loading, micro, macro- slip happens in contact surface which is non-linear reason of the joint contact surface. The non-linear effects of joint contact surface on total behavior of structure are ...

  17. The SURFEXv7.2 land and ocean surface platform for coupled or offline simulation of earth surface variables and fluxes

    Directory of Open Access Journals (Sweden)

    V. Masson

    2013-07-01

    Full Text Available SURFEX is a new externalized land and ocean surface platform that describes the surface fluxes and the evolution of four types of surfaces: nature, town, inland water and ocean. It is mostly based on pre-existing, well-validated scientific models that are continuously improved. The motivation for the building of SURFEX is to use strictly identical scientific models in a high range of applications in order to mutualise the research and development efforts. SURFEX can be run in offline mode (0-D or 2-D runs or in coupled mode (from mesoscale models to numerical weather prediction and climate models. An assimilation mode is included for numerical weather prediction and monitoring. In addition to momentum, heat and water fluxes, SURFEX is able to simulate fluxes of carbon dioxide, chemical species, continental aerosols, sea salt and snow particles. The main principles of the organisation of the surface are described first. Then, a survey is made of the scientific module (including the coupling strategy. Finally, the main applications of the code are summarised. The validation work undertaken shows that replacing the pre-existing surface models by SURFEX in these applications is usually associated with improved skill, as the numerous scientific developments contained in this community code are used to good advantage.

  18. The SURFEXv7.2 land and ocean surface platform for coupled or offline simulation of earth surface variables and fluxes

    Science.gov (United States)

    Masson, V.; Le Moigne, P.; Martin, E.; Faroux, S.; Alias, A.; Alkama, R.; Belamari, S.; Barbu, A.; Boone, A.; Bouyssel, F.; Brousseau, P.; Brun, E.; Calvet, J.-C.; Carrer, D.; Decharme, B.; Delire, C.; Donier, S.; Essaouini, K.; Gibelin, A.-L.; Giordani, H.; Habets, F.; Jidane, M.; Kerdraon, G.; Kourzeneva, E.; Lafaysse, M.; Lafont, S.; Lebeaupin Brossier, C.; Lemonsu, A.; Mahfouf, J.-F.; Marguinaud, P.; Mokhtari, M.; Morin, S.; Pigeon, G.; Salgado, R.; Seity, Y.; Taillefer, F.; Tanguy, G.; Tulet, P.; Vincendon, B.; Vionnet, V.; Voldoire, A.

    2013-07-01

    SURFEX is a new externalized land and ocean surface platform that describes the surface fluxes and the evolution of four types of surfaces: nature, town, inland water and ocean. It is mostly based on pre-existing, well-validated scientific models that are continuously improved. The motivation for the building of SURFEX is to use strictly identical scientific models in a high range of applications in order to mutualise the research and development efforts. SURFEX can be run in offline mode (0-D or 2-D runs) or in coupled mode (from mesoscale models to numerical weather prediction and climate models). An assimilation mode is included for numerical weather prediction and monitoring. In addition to momentum, heat and water fluxes, SURFEX is able to simulate fluxes of carbon dioxide, chemical species, continental aerosols, sea salt and snow particles. The main principles of the organisation of the surface are described first. Then, a survey is made of the scientific module (including the coupling strategy). Finally, the main applications of the code are summarised. The validation work undertaken shows that replacing the pre-existing surface models by SURFEX in these applications is usually associated with improved skill, as the numerous scientific developments contained in this community code are used to good advantage.

  19. Molecular dynamics simulations of the calcite/solution interface as a means to explore surface modifications induced by nitrate

    Energy Technology Data Exchange (ETDEWEB)

    Hofmann, Sascha; Schmidt, Moritz [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Div. Surface Processes; Spijker, P. [Aalto Univ., Helsinki (Finland). Dept. of Applied Physics; Voitchovsky, K. [Durham Univ. (United Kingdom). Physics Dept.

    2016-07-01

    The reactivity of calcite, one of the most abundant minerals in the earth's crust, is determined by the molecular details of its interface with the contacting solution. Recently, it has been found that trace concentrations of NaNO{sub 3} severely affect calcite's (104) surface and its reactivity. Molecular dynamics (MD) simulations reveal density profiles of different ions near calcite's surface, with NO{sub 3}{sup -} able to reach closer to the surface than CO{sub 3}{sup 2-} and in higher concentrations. Additionally, incorporation of NO{sub 3}{sup -} into the surface significantly disturbs the water structure at the interface.

  20. Searching for stable Si(n)C(n) clusters: combination of stochastic potential surface search and pseudopotential plane-wave Car-Parinello simulated annealing simulations.

    Science.gov (United States)

    Duan, Xiaofeng F; Burggraf, Larry W; Huang, Lingyu

    2013-07-22

    To find low energy Si(n)C(n) structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA). We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each Si(n)C(n) cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to Si(n)C(n) (n = 4-12) clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each Si(n)C(n) cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

  1. Searching for Stable SinCn Clusters: Combination of Stochastic Potential Surface Search and Pseudopotential Plane-Wave Car-Parinello Simulated Annealing Simulations

    Directory of Open Access Journals (Sweden)

    Larry W. Burggraf

    2013-07-01

    Full Text Available To find low energy SinCn structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA. We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each SinCn cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to SinCn (n = 4–12 clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each SinCn cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

  2. A software tool for simulation of surfaces generated by ball nose end milling

    DEFF Research Database (Denmark)

    Bissacco, Giuliano

    2004-01-01

    , for prediction of surface topography of ball nose end milled surfaces, was developed. Such software tool is based on a simplified model of the ideal tool motion and neglects the effects due to run-out, static and dynamic deflections and error motions, but has the merit of generating in output a file in a format...... readable by a surface processor software (SPIP [2]), for calculation of a number of surface roughness parameters. In the next paragraph a description of the basic features of ball nose end milled surfaces is given, while in paragraph 3 the model is described....

  3. Reconstructing the Surface Permittivity Distribution from Data Measured by the CONSERT Instrument aboard Rosetta: Method and Simulations

    Science.gov (United States)

    Plettemeier, D.; Statz, C.; Hegler, S.; Herique, A.; Kofman, W. W.

    2014-12-01

    One of the main scientific objectives of the Comet Nucleus Sounding Experiment by Radiowave Transmission (CONSERT) aboard Rosetta is to perform a dielectric characterization of comet 67P/Chuyurmov-Gerasimenko's nucleus by means of a bi-static sounding between the lander Philae launched onto the comet's surface and the orbiter Rosetta. For the sounding, the lander part of CONSERT will receive and process the radio signal emitted by the orbiter part of the instrument and transmit a signal to the orbiter to be received by CONSERT. CONSERT will also be operated as bi-static RADAR during the descent of the lander Philae onto the comet's surface. From data measured during the descent, we aim at reconstructing a surface permittivity map of the comet at the landing site and along the path below the descent trajectory. This surface permittivity map will give information on the bulk material right below and around the landing site and the surface roughness in areas covered by the instrument along the descent. The proposed method to estimate the surface permittivity distribution is based on a least-squares based inversion approach in frequency domain. The direct problem of simulating the wave-propagation between lander and orbiter at line-of-sight and the signal reflected on the comet's surface is modelled using a dielectric physical optics approximation. Restrictions on the measurement positions by the descent orbitography and limitations on the instrument dynamic range will be dealt with by application of a regularization technique where the surface permittivity distribution and the gradient with regard to the permittivity is projected in a domain defined by a viable model of the spatial material and roughness distribution. The least-squares optimization step of the reconstruction is performed in such domain on a reduced set of parameters yielding stable results. The viability of the proposed method is demonstrated by reconstruction results based on simulated data.

  4. Simulating the influence of snow surface processes on soil moisture dynamics and streamflow generation in an alpine catchment

    Directory of Open Access Journals (Sweden)

    N. Wever

    2017-08-01

    Full Text Available The assessment of flood risks in alpine, snow-covered catchments requires an understanding of the linkage between the snow cover, soil and discharge in the stream network. Here, we apply the comprehensive, distributed model Alpine3D to investigate the role of soil moisture in the predisposition of the Dischma catchment in Switzerland to high flows from rainfall and snowmelt. The recently updated soil module of the physics-based multilayer snow cover model SNOWPACK, which solves the surface energy and mass balance in Alpine3D, is verified against soil moisture measurements at seven sites and various depths inside and in close proximity to the Dischma catchment. Measurements and simulations in such terrain are difficult and consequently, soil moisture was simulated with varying degrees of success. Differences between simulated and measured soil moisture mainly arise from an overestimation of soil freezing and an absence of a groundwater description in the Alpine3D model. Both were found to have an influence in the soil moisture measurements. Using the Alpine3D simulation as the surface scheme for a spatially explicit hydrologic response model using a travel time distribution approach for interflow and baseflow, streamflow simulations were performed for the discharge from the catchment. The streamflow simulations provided a closer agreement with observed streamflow when driving the hydrologic response model with soil water fluxes at 30 cm depth in the Alpine3D model. Performance decreased when using the 2 cm soil water flux, thereby mostly ignoring soil processes. This illustrates that the role of soil moisture is important to take into account when understanding the relationship between both snowpack runoff and rainfall and catchment discharge in high alpine terrain. However, using the soil water flux at 60 cm depth to drive the hydrologic response model also decreased its performance, indicating that an optimal soil depth to include in

  5. Mass-velocity and size-velocity distributions of ejecta cloud from shock-loaded tin surface using atomistic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Durand, O.; Soulard, L. [CEA, DAM, DIF, F-91297 Arpajon (France)

    2015-04-28

    The mass (volume and areal densities) versus velocity as well as the size versus velocity distributions of a shock-induced cloud of particles are investigated using large scale molecular dynamics simulations. A generic three-dimensional tin crystal with a sinusoidal free surface roughness (single wavelength) is set in contact with vacuum and shock-loaded so that it melts directly on shock. At the reflection of the shock wave onto the perturbations of the free surface, two-dimensional sheets/jets of liquid metal are ejected. The simulations show that the distributions may be described by an analytical model based on the propagation of a fragmentation zone, from the tip of the sheets to the free surface, in which the kinetic energy of the atoms decreases as this zone comes closer to the free surface on late times. As this kinetic energy drives (i) the (self-similar) expansion of the zone once it has broken away from the sheet and (ii) the average size of the particles which result from fragmentation in the zone, the ejected mass and the average size of the particles progressively increase in the cloud as fragmentation occurs closer to the free surface. Though relative to nanometric scales, our model may help in the analysis of experimental profiles.

  6. Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials

    International Nuclear Information System (INIS)

    Noordhoek, Mark J.; Liang, Tao; Chiang, Tsu-Wu; Sinnott, Susan B.; Phillpot, Simon R.

    2014-01-01

    Highlights: • An interatomic potential for zirconium–zirconium oxide–zirconium hydride is presented. • Diffusion of oxygen and hydrogen into Zr (0 0 0 1). • Deposition of O 2 and H 2 O on low-index Zr surfaces. • Surface structure affects resulting corrosion behavior. - Abstract: A charge-optimized many-body (COMB) potential is proposed for the zirconium–zirconium oxide–zirconium hydride system. This potential is developed to describe the energetics of the interactions of oxygen and hydrogen with zirconium metal. We perform classical molecular dynamics simulations showing the initial corrosion behavior of three low-index zirconium surfaces via the deposition of O 2 and H 2 O molecules. The basal (0 0 0 1) surface shows greater resistance to oxygen diffusion than the prism (101 ¯ 0) and (112 ¯ 0) surfaces. We suggest ways in which the surface structure has a unique role in the experimentally observed enhanced corrosion of the prism surfaces

  7. Effect of Ultrasonic Surface Impact on the Fatigue Behavior of Ti-6Al-4V Subject to Simulated Body Fluid

    Directory of Open Access Journals (Sweden)

    Xiaojian Cao

    2017-10-01

    Full Text Available The effect of ultrasonic nanocrystal surface modification (UNSM on the fatigue behavior of Ti6Al4V (TC4 in simulated body fluid (SBF was investigated. UNSM with the condition of a static load of 25 N, vibration amplitude of 30 μm and 36,000 strikes per unit produced about 35 μm surface severe plastic deformation (SPD layers on the TC4 specimens. One group was treated with a hybrid surface treatment (UNSM + TiN film. UNSM technique improves the micro hardness and the compressive residual stress. The surface roughness is increased slightly, but it can be remarkably improved by the TiN film. The fatigue strength of TC4 is improved by about 7.9% after UNSM. Though the current density of corrosion is increased and the pitting corrosion is accelerated, UNSM still improved the fatigue strength of TC4 after pre-soaking in SBF by 10.8%. Interior cracks initiate at the deformed carbide and oxide inclusions due to the ultrasonic impacts of UNSM. Corrosion products are always observed at the edge of fracture surface to both interior cracks and surface cracks. Coating a TiN film on the UNSMed surface helps to improve the whole properties of TC4 further.

  8. Evaluation of surface roughness of a nanofill resin composite after simulated brushing and immersion in mouthrinses, alcohol and water

    Directory of Open Access Journals (Sweden)

    Ana Carolina de Carvalho Rocha

    2010-03-01

    Full Text Available This study investigated the alteration of surface roughness of the nanofill composite Filtek Z350 3M/ESPE®, caused by simulated brushing associated with the use of mouthrinses with or without alcohol. Sixty specimens were prepared and distributed into six groups: distilled water, ethylic alcohol, Listerine® Vanilla Mint, Plax® without alcohol, Oral B® without alcohol and a control group. Each group was submitted to two intercalary 5,000 simulated brushing cycles. At the end of each cycle, the specimens were washed in tap water and immersed for two cycles of six hours equivalent to one year of daily use of the solution for 2 minutes. It was possible to verify significant alteration in surface roughness of the composite influenced by ethylic alcohol. It was not significant for distilled water and the mouthrinses.

  9. Simulation optimization of filament parameters for uniform depositions of diamond films on surfaces of ultra-large circular holes

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xinchang, E-mail: wangxinchangz@163.com; Shen, Xiaotian; Sun, Fanghong; Shen, Bin

    2016-12-01

    Highlights: • A verified simulation model using a novel filament arrangement is constructed. • Influences of filament parameters are clarified. • A coefficient between simulated and experimental results is proposed. • Orthogonal simulations are adopted to optimize filament parameters. • A general filament arrangement suitable for different conditions is determined. - Abstract: Chemical vapor deposition (CVD) diamond films have been widely applied as protective coatings on varieties of anti-frictional and wear-resistant components, owing to their excellent mechanical and tribological properties close to the natural diamond. In applications of some components, the inner hole surface will serve as the working surface that suffers severe frictional or erosive wear. It is difficult to realize uniform depositions of diamond films on surfaces of inner holes, especially ultra-large inner holes. Adopting a SiC compact die with an aperture of 80 mm as an example, a novel filament arrangement with a certain number of filaments evenly distributed on a circle is designed, and specific effects of filament parameters, including the filament number, arrangement direction, filament temperature, filament diameter, circumradius and the downward translation, on the substrate temperature distribution are studied by computational fluid dynamics (CFD) simulations based on the finite volume method (FVM), adopting a modified computational model well consistent with the actual deposition environment. Corresponding temperature measurement experiments are also conducted to verify the rationality of the computational model. From the aspect of depositing uniform boron-doped micro-crystalline, undoped micro-crystalline and undoped fine-grained composite diamond (BDM-UMC-UFGCD) film on such the inner hole surface, filament parameters as mentioned above are accurately optimized and compensated by orthogonal simulations. Moreover, deposition experiments adopting compensated optimized

  10. Quantifying the effect of anode surface roughness on diagnostic x-ray spectra using Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Mehranian, A.; Ay, M. R.; Alam, N. Riyahi; Zaidi, H. [Department of Medical Physics and Biomedical Engineering, Tehran University of Medical Sciences, P.O. Box 14155-6447, Tehran (Iran, Islamic Republic of) and Research Center for Science and Technology in Medicine, Tehran University of Medical Sciences, P.O. Box 14185-615, Tehran (Iran, Islamic Republic of); Department of Medical Physics and Biomedical Engineering, Tehran University of Medical Sciences, P.O. Box 14155-6447, Tehran (Iran, Islamic Republic of); Research Center for Science and Technology in Medicine, Tehran University of Medical Sciences, P.O. Box 14185-615, Tehran (Iran, Islamic Republic of) and Research Institute for Nuclear Medicine, Tehran University of Medical Sciences, P.O. Box 14155-6447, Tehran (Iran, Islamic Republic of); Department of Medical Physics and Biomedical Engineering, Tehran University of Medical Sciences, P.O. Box 14155-6447, Tehran (Iran, Islamic Republic of); Division of Nuclear Medicine, Geneva University Hospital, CH-1211 Geneva (Switzerland) and Geneva Neuroscience Center, Geneva University, CH-1205 Geneva (Switzerland)

    2010-02-15

    Purpose: The accurate prediction of x-ray spectra under typical conditions encountered in clinical x-ray examination procedures and the assessment of factors influencing them has been a long-standing goal of the diagnostic radiology and medical physics communities. In this work, the influence of anode surface roughness on diagnostic x-ray spectra is evaluated using MCNP4C-based Monte Carlo simulations. Methods: An image-based modeling method was used to create realistic models from surface-cracked anodes. An in-house computer program was written to model the geometric pattern of cracks and irregularities from digital images of focal track surface in order to define the modeled anodes into MCNP input file. To consider average roughness and mean crack depth into the models, the surface of anodes was characterized by scanning electron microscopy and surface profilometry. It was found that the average roughness (R{sub a}) in the most aged tube studied is about 50 {mu}m. The correctness of MCNP4C in simulating diagnostic x-ray spectra was thoroughly verified by calling its Gaussian energy broadening card and comparing the simulated spectra with experimentally measured ones. The assessment of anode roughness involved the comparison of simulated spectra in deteriorated anodes with those simulated in perfectly plain anodes considered as reference. From these comparisons, the variations in output intensity, half value layer (HVL), heel effect, and patient dose were studied. Results: An intensity loss of 4.5% and 16.8% was predicted for anodes aged by 5 and 50 {mu}m deep cracks (50 kVp, 6 deg. target angle, and 2.5 mm Al total filtration). The variations in HVL were not significant as the spectra were not hardened by more than 2.5%; however, the trend for this variation was to increase with roughness. By deploying several point detector tallies along the anode-cathode direction and averaging exposure over them, it was found that for a 6 deg. anode, roughened by 50 {mu}m deep

  11. Simulation of mirror surfaces for virtual estimation of visibility lines for 3D motor vehicle collision reconstruction.

    Science.gov (United States)

    Leipner, Anja; Dobler, Erika; Braun, Marcel; Sieberth, Till; Ebert, Lars

    2017-10-01

    3D reconstructions of motor vehicle collisions are used to identify the causes of these events and to identify potential violations of traffic regulations. Thus far, the reconstruction of mirrors has been a problem since they are often based on approximations or inaccurate data. Our aim with this paper was to confirm that structured light scans of a mirror improve the accuracy of simulating the field of view of mirrors. We analyzed the performances of virtual mirror surfaces based on structured light scans using real mirror surfaces and their reflections as references. We used an ATOS GOM III scanner to scan the mirrors and processed the 3D data using Geomagic Wrap. For scene reconstruction and to generate virtual images, we used 3ds Max. We compared the simulated virtual images and photographs of real scenes using Adobe Photoshop. Our results showed that we achieved clear and even mirror results and that the mirrors behaved as expected. The greatest measured deviation between an original photo and the corresponding virtual image was 20 pixels in the transverse direction for an image width of 4256 pixels. We discussed the influences of data processing and alignment of the 3D models on the results. The study was limited to a distance of 1.6m, and the method was not able to simulate an interior mirror. In conclusion, structured light scans of mirror surfaces can be used to simulate virtual mirror surfaces with regard to 3D motor vehicle collision reconstruction. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Simulation of self-assembled nanopatterns in strained 2D alloys on the face centered cubic(111) surface

    Czech Academy of Sciences Publication Activity Database

    Weber, S.; Biehl, M.; Kotrla, Miroslav; Kinzel, W.

    2008-01-01

    Roč. 20, č. 26 (2008), 265004/1-265004/7 ISSN 0953-8984 EU Projects: European Commission(XE) 16447 - MAGDOT Grant - others:NSF DMR(DE) 0502737 Institutional research plan: CEZ:AV0Z10100520 Keywords : nanostructures * surface alloys * Monte Carlo simulation * self-assembling magnetic dots Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.900, year: 2008

  13. Free surface entropic lattice Boltzmann simulations of film condensation on vertical hydrophilic plates

    DEFF Research Database (Denmark)

    Hygum, Morten Arnfeldt; Karlin, Iliya; Popok, Vladimir

    2015-01-01

    A model for vapor condensation on vertical hydrophilic surfaces is developed using the entropic lattice Boltzmann method extended with a free surface formulation of the evaporation–condensation problem. The model is validated with the steady liquid film formation on a flat vertical wall. It is sh......A model for vapor condensation on vertical hydrophilic surfaces is developed using the entropic lattice Boltzmann method extended with a free surface formulation of the evaporation–condensation problem. The model is validated with the steady liquid film formation on a flat vertical wall...

  14. Monte Carlo simulation taking account of surface crack effect for stress corrosion cracking in a stainless steel SUS 304

    International Nuclear Information System (INIS)

    Tohgo, Keiichiro; Suzuki, Hiromitsu; Shimamura, Yoshinobu; Nakayama, Guen; Hirano, Takashi

    2008-01-01

    Stress corrosion cracking (SCC) in structural metal materials occurs by initiation and coalescence of micro cracks, subcritical crack propagation and multiple large crack formation or final failure under the combination of materials, stress and corrosive environment. In this paper, a Monte Carlo simulation for the process of SCC has been proposed based on the stochastic properties of micro crack initiation and fracture mechanics concept for crack coalescence and propagation. The emphasis in the model is put on the influence of semi-elliptical surface cracks. Numerical simulations are carried out based on CBB (creviced bent beam) test results of a sensitized stainless steel SUS 304 and the influence of micro crack initiation rate and coalescence condition on the simulation results is discussed. The numerical examples indicate the applicability of the present model to a prediction of the SCC behavior in real structures. (author)

  15. Eastern equatorial Pacific sea surface temperature annual cycle in the Kiel climate model: simulation benefits from enhancing atmospheric resolution

    Science.gov (United States)

    Wengel, C.; Latif, M.; Park, W.; Harlaß, J.; Bayr, T.

    2018-05-01

    A long-standing difficulty of climate models is to capture the annual cycle (AC) of eastern equatorial Pacific (EEP) sea surface temperature (SST). In this study, we first examine the EEP SST AC in a set of integrations of the coupled Kiel Climate Model, in which only atmosphere model resolution differs. When employing coarse horizontal and vertical atmospheric resolution, significant biases in the EEP SST AC are observed. These are reflected in an erroneous timing of the cold tongue's onset and termination as well as in an underestimation of the boreal spring warming amplitude. A large portion of these biases are linked to a wrong simulation of zonal surface winds, which can be traced back to precipitation biases on both sides of the equator and an erroneous low-level atmospheric circulation over land. Part of the SST biases also is related to shortwave radiation biases related to cloud cover biases. Both wind and cloud cover biases are inherent to the atmospheric component, as shown by companion uncoupled atmosphere model integrations forced by observed SSTs. Enhancing atmosphere model resolution, horizontal and vertical, markedly reduces zonal wind and cloud cover biases in coupled as well as uncoupled mode and generally improves simulation of the EEP SST AC. Enhanced atmospheric resolution reduces convection biases and improves simulation of surface winds over land. Analysis of a subset of models from the Coupled Model Intercomparison Project phase 5 (CMIP5) reveals that in these models, very similar mechanisms are at work in driving EEP SST AC biases.

  16. Response of water temperature to surface wave effects in the Baltic Sea: simulations with the coupled NEMO-WAM model

    Science.gov (United States)

    Alari, Victor; Staneva, Joanna; Breivik, Øyvind; Bidlot, Jean-Raymond; Mogensen, Kristian; Janssen, Peter

    2016-04-01

    The effects of wind waves on the Baltic Sea water temperature has been studied by coupling the hydrodynamical model NEMO with the wave model WAM. The wave forcing terms that have been taken into consideration are: Stokes-Coriolis force, seastate dependent energy flux and sea-state dependent momentum flux. The combined role of these processes as well as their individual contributions on simulated temperature is analysed. The results indicate a pronounced effect of waves on surface temperature, on the distribution of vertical temperature and on upwellinǵs. In northern parts of the Baltic Sea a warming of the surface layer occurs in the wave included simulations. This in turn reduces the cold bias between simulated and measured data. The warming is primarily caused by sea-state dependent energy flux. Wave induced cooling is mostly observed in near coastal areas and is mainly due to Stokes-Coriolis forcing. The latter triggers effect of intensifying upwellings near the coasts, depending on the direction of the wind. The effect of sea-state dependent momentum flux is predominantly to warm the surface layer. During the summer the wave induced water temperature changes were up to 1 °C.

  17. Coupling of kinetic Monte Carlo simulations of surface reactions to transport in a fluid for heterogeneous catalytic reactor modeling

    International Nuclear Information System (INIS)

    Schaefer, C.; Jansen, A. P. J.

    2013-01-01

    We have developed a method to couple kinetic Monte Carlo simulations of surface reactions at a molecular scale to transport equations at a macroscopic scale. This method is applicable to steady state reactors. We use a finite difference upwinding scheme and a gap-tooth scheme to efficiently use a limited amount of kinetic Monte Carlo simulations. In general the stochastic kinetic Monte Carlo results do not obey mass conservation so that unphysical accumulation of mass could occur in the reactor. We have developed a method to perform mass balance corrections that is based on a stoichiometry matrix and a least-squares problem that is reduced to a non-singular set of linear equations that is applicable to any surface catalyzed reaction. The implementation of these methods is validated by comparing numerical results of a reactor simulation with a unimolecular reaction to an analytical solution. Furthermore, the method is applied to two reaction mechanisms. The first is the ZGB model for CO oxidation in which inevitable poisoning of the catalyst limits the performance of the reactor. The second is a model for the oxidation of NO on a Pt(111) surface, which becomes active due to lateral interaction at high coverages of oxygen. This reaction model is based on ab initio density functional theory calculations from literature.

  18. Sensitivity Analysis of the Surface Runoff Coefficient of HiPIMS in Simulating Flood Processes in a Large Basin

    Directory of Open Access Journals (Sweden)

    Yueling Wang

    2018-03-01

    Full Text Available To simulate flood processes at the basin level, the GPU-based High-Performance Integrated Hydrodynamic Modelling System (HiPIMS is gaining interest as computational capability increases. However, the difficulty of coping with rainfall input to HiPIMS reduces the possibility of acquiring a satisfactory simulation accuracy. The objective of this study is to test the sensitivity of the surface runoff coefficient in the HiPIMS source term in the Misai basin with an area of 797 km2 in south China. To achieve this, the basin was divided into 909,824 grid cells, to each of which a Manning coefficient was assigned based on its land use type interpreted from remote sensing data. A sensitivity analysis was conducted for three typical flood processes under four types of surface runoff coefficients, assumed a priori, upon three error functions. The results demonstrate the crucial role of the surface runoff coefficient in achieving better simulation accuracy and reveal that this coefficient varies with flood scale and is unevenly distributed over the basin.

  19. Simulation of extreme rainfall event of November 2009 over Jeddah, Saudi Arabia: the explicit role of topography and surface heating

    Science.gov (United States)

    Almazroui, Mansour; Raju, P. V. S.; Yusef, A.; Hussein, M. A. A.; Omar, M.

    2018-04-01

    In this paper, a nonhydrostatic Weather Research and Forecasting (WRF) model has been used to simulate the extreme precipitation event of 25 November 2009, over Jeddah, Saudi Arabia. The model is integrated in three nested (27, 9, and 3 km) domains with the initial and boundary forcing derived from the NCEP reanalysis datasets. As a control experiment, the model integrated for 48 h initiated at 0000 UTC on 24 November 2009. The simulated rainfall in the control experiment depicts in well agreement with Tropical Rainfall Measurement Mission rainfall estimates in terms of intensity as well as spatio-temporal distribution. Results indicate that a strong low-level (850 hPa) wind over Jeddah and surrounding regions enhanced the moisture and temperature gradient and created a conditionally unstable atmosphere that favored the development of the mesoscale system. The influences of topography and heat exchange process in the atmosphere were investigated on the development of extreme precipitation event; two sensitivity experiments are carried out: one without topography and another without exchange of surface heating to the atmosphere. The results depict that both surface heating and topography played crucial role in determining the spatial distribution and intensity of the extreme rainfall over Jeddah. The topography favored enhanced uplift motion that further strengthened the low-level jet and hence the rainfall over Jeddah and adjacent areas. On the other hand, the absence of surface heating considerably reduced the simulated rainfall by 30% as compared to the observations.

  20. Extra metal adatom surface diffusion simulation on 1/3 ML Si(111) √3×√3 metal-induced surfaces

    International Nuclear Information System (INIS)

    Luniakov, Yu V

    2013-01-01

    A first-principle simulation of the surface diffusion of an extra metal (Me) adatom has been performed on the corresponding 1/3 monolayer (ML) Si(111) √3×√3 Me-induced surfaces. Using the nudged elastic band (NEB) optimization method, the minimum energy paths and the activation energy barrier profiles for all known Me-inducing √3×√3 reconstruction on an Si(111) surface at the 1/3 ML coverage have been obtained and compared with the available experimental data. The activation barrier is shown to depend on the atomic size of the diffusing adatom: the barrier has the highest value for the largest Me adatom, Pb (0.44 eV); lower values for the smaller Me adatoms, Sn (0.36 eV), In (0.22 eV) and Ga (0.13 eV); and the lowest value for the smallest Me adatom, Al (0.08 eV). The Arrhenius pre-exponential factors that were obtained in the harmonic approximation are as large as ∼10 11−13 Hz for all of the investigated surfaces, which supports the single-adatom diffusion model considered here. (paper)

  1. Surface analytical investigations of the release behaviour of volatile fission products during simulated core meltdown accidents and of the reaction behaviour of iodine with silver surfaces

    International Nuclear Information System (INIS)

    Moers, H.

    1986-07-01

    The report presents the results of the analysis of aerosol particles formed in simulated laboratory scale core meltdown experiments. In addition the interaction of silver surfaces with gaseous molecular iodine and with iodide and molecular iodine in aqueous solution was investigated. The composition of the aerosol samples and the progress of the reactions mentioned were determined by use of surface analytical techniques (X-ray photoelectron spectroscopy, Auger electron spectroscopy, secondary ion mass spectroscopy). The major information can be evaluated from X-ray photoelectron spectra which exhibit chemical shifts of the photoelectron lines which allowing a discrimination between different chemical species of the same element. The analyses showed that iodine is present in the aerosol particles mainly as caesium iodide and, to a smaller fraction, as silver iodide. During the adsorption of gaseous molecular iodine at metallic silver surfaces a closed silver iodide overlayer is formed. In aqueous iodide solutions one observes chemisorption of the iodide anions up to a coverage of the metallic silver surface of about half a monolayer. Molecular iodine in aqueous solution is completely converted to silver iodide which covers the substrate irregularly. (orig./HP) [de

  2. Decontamination of chemical-warfare agent simulants by polymer surfaces doped with the singlet oxygen generator zinc octaphenoxyphthalocyanine.

    Science.gov (United States)

    Gephart, Raymond T; Coneski, Peter N; Wynne, James H

    2013-10-23

    Using reactive singlet oxygen (1O2), the oxidation of chemical-warfare agent (CWA) simulants has been demonstrated. The zinc octaphenoxyphthalocyanine (ZnOPPc) complex was demonstrated to be an efficient photosensitizer for converting molecular oxygen (O2) to 1O2 using broad-spectrum light (450-800 nm) from a 250 W halogen lamp. This photosensitization produces 1O2 in solution as well as within polymer matrices. The oxidation of 1-naphthol to naphthoquinone was used to monitor the rate of 1O2 generation in the commercially available polymer film Hydrothane that incorporates ZnOPPc. Using electrospinning, nanofibers of ZnOPPc in Hydrothane and polycarbonate were formed and analyzed for their ability to oxidize demeton-S, a CWA simulant, on the surface of the polymers and were found to have similar reactivity as their corresponding films. The Hydrothane films were then used to oxidize CWA simulants malathion, 2-chloroethyl phenyl sulfide (CEPS), and 2-chloroethyl ethyl sulfide (CEES). Through this oxidation process, the CWA simulants are converted into less toxic compounds, thus decontaminating the surface using only O2 from the air and light.

  3. On-Orbit Planetary Science Laboratories for Simulating Surface Conditions of Planets and Small Bodies

    Science.gov (United States)

    Thangavelautham, J.; Asphaug, E.; Schwartz, S.

    2017-02-01

    Our work has identified the use of on-orbit centrifuge science laboratories as a key enabler towards low-cost, fast-track physical simulation of off-world environments for future planetary science missions.

  4. Simulating Exposure Concentrations of Engineered Nanomaterials in Surface Water Systems: WASP8

    Science.gov (United States)

    The unique properties of engineered nanomaterials led to their increased production and potential release into the environment. Currently available environmental fate models developed for traditional contaminants are limited in their ability to simulate nanomaterials’ envir...

  5. Aggregate strength for bituminous surfacings for low volume roads: a heavy vehicle simulator experience

    CSIR Research Space (South Africa)

    Paige-Green, P

    2004-09-01

    Full Text Available This paper discusses an investigation using the CSIR Transportek Heavy Vehicle Simulator (HVS) to determine the impact of using aggregates softer than specified in chip seals and to propose possible relaxations in the currently specified strength...

  6. Kinetic Monte Carlo simulation of surface segregation in Pd–Cu alloys

    International Nuclear Information System (INIS)

    Cheng, Feng; He, Xiang; Chen, Zhao-Xu; Huang, Yu-Gai

    2015-01-01

    The knowledge of surface composition and atomic arrangement is prerequisite for understanding of catalytic properties of an alloy catalyst. Gaining such knowledge is rather difficult, especially for those possessing surface segregation. Pd–Cu alloy is used in many fields and possesses surface segregation. In this paper kinetic Monte Carlo method is used to explore the surface composition and structure and to examine the effects of bulk composition and temperature on the surface segregation of Pd–Cu alloys. It is shown that the segregation basically completes within 900 s at 500 K. Below 900 K and within 20 min the enriched surface Cu atoms mainly come from the top five layers. For the first time we demonstrate that there exists a “bulk-inside flocking” or clustering phenomenon (the same component element congregates in bulk) in Pd–Cu alloys. Our results indicate that for alloys with higher Cu content there are small Pd ensembles like monomers, dimers and trimers with contiguous subsurface Pd atoms. - Highlights: • Kinetic Monte Carlo was first used to study surface segregation of Pd–Cu alloys. • Bulk-inside flocking (the same component element congregates in bulk) was observed. • Small Pd ensembles with contiguous subsurface Pd exist on surfaces of Cu-rich alloys

  7. Kinetic Monte Carlo simulation of surface segregation in Pd–Cu alloys

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Feng [Institute of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of MOE, Nanjing University (China); He, Xiang [Nanjing Institute of Geography and Limnology, Chinese Academy of Sciences, Nanjing 210008 (China); Chen, Zhao-Xu, E-mail: zxchen@nju.edu.cn [Institute of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of MOE, Nanjing University (China); Huang, Yu-Gai [Institute of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of MOE, Nanjing University (China); JiangSu Second Normal University, Nanjing (China)

    2015-11-05

    The knowledge of surface composition and atomic arrangement is prerequisite for understanding of catalytic properties of an alloy catalyst. Gaining such knowledge is rather difficult, especially for those possessing surface segregation. Pd–Cu alloy is used in many fields and possesses surface segregation. In this paper kinetic Monte Carlo method is used to explore the surface composition and structure and to examine the effects of bulk composition and temperature on the surface segregation of Pd–Cu alloys. It is shown that the segregation basically completes within 900 s at 500 K. Below 900 K and within 20 min the enriched surface Cu atoms mainly come from the top five layers. For the first time we demonstrate that there exists a “bulk-inside flocking” or clustering phenomenon (the same component element congregates in bulk) in Pd–Cu alloys. Our results indicate that for alloys with higher Cu content there are small Pd ensembles like monomers, dimers and trimers with contiguous subsurface Pd atoms. - Highlights: • Kinetic Monte Carlo was first used to study surface segregation of Pd–Cu alloys. • Bulk-inside flocking (the same component element congregates in bulk) was observed. • Small Pd ensembles with contiguous subsurface Pd exist on surfaces of Cu-rich alloys.

  8. Finite Element Simulation of Shot Peening: Prediction of Residual Stresses and Surface Roughness

    Science.gov (United States)

    Gariépy, Alexandre; Perron, Claude; Bocher, Philippe; Lévesque, Martin

    Shot peening is a surface treatment that consists of bombarding a ductile surface with numerous small and hard particles. Each impact creates localized plastic strains that permanently stretch the surface. Since the underlying material constrains this stretching, compressive residual stresses are generated near the surface. This process is commonly used in the automotive and aerospace industries to improve fatigue life. Finite element analyses can be used to predict residual stress profiles and surface roughness created by shot peening. This study investigates further the parameters and capabilities of a random impact model by evaluating the representative volume element and the calculated stress distribution. Using an isotropic-kinematic hardening constitutive law to describe the behaviour of AA2024-T351 aluminium alloy, promising results were achieved in terms of residual stresses.

  9. Simulation study and guidelines to generate Laser-induced Surface Acoustic Waves for human skin feature detection

    Science.gov (United States)

    Li, Tingting; Fu, Xing; Chen, Kun; Dorantes-Gonzalez, Dante J.; Li, Yanning; Wu, Sen; Hu, Xiaotang

    2015-12-01

    Despite the seriously increasing number of people contracting skin cancer every year, limited attention has been given to the investigation of human skin tissues. To this regard, Laser-induced Surface Acoustic Wave (LSAW) technology, with its accurate, non-invasive and rapid testing characteristics, has recently shown promising results in biological and biomedical tissues. In order to improve the measurement accuracy and efficiency of detecting important features in highly opaque and soft surfaces such as human skin, this paper identifies the most important parameters of a pulse laser source, as well as provides practical guidelines to recommended proper ranges to generate Surface Acoustic Waves (SAWs) for characterization purposes. Considering that melanoma is a serious type of skin cancer, we conducted a finite element simulation-based research on the generation and propagation of surface waves in human skin containing a melanoma-like feature, determine best pulse laser parameter ranges of variation, simulation mesh size and time step, working bandwidth, and minimal size of detectable melanoma.

  10. Towards Global Simulation of Irrigation in a Land Surface Model: Multiple Cropping and Rice Paddy in Southeast Asia

    Science.gov (United States)

    Beaudoing, Hiroko Kato; Rodell, Matthew; Ozdogan, Mutlu

    2010-01-01

    Agricultural land use significantly influences the surface water and energy balances. Effects of irrigation on land surface states and fluxes include repartitioning of latent and sensible heat fluxes, an increase in net radiation, and an increase in soil moisture and runoff. We are working on representing irrigation practices in continental- to global-scale land surface simulation in NASA's Global Land Data Assimilation System (GLDAS). Because agricultural practices across the nations are diverse, and complex, we are attempting to capture the first-order reality of the regional practices before achieving a global implementation. This study focuses on two issues in Southeast Asia: multiple cropping and rice paddy irrigation systems. We first characterize agricultural practices in the region (i.e., crop types, growing seasons, and irrigation) using the Global data set of monthly irrigated and rainfed crop areas around the year 2000 (MIRCA2000) dataset. Rice paddy extent is identified using remote sensing products. Whether irrigated or rainfed, flooded fields need to be represented and treated explicitly. By incorporating these properties and processes into a physically based land surface model, we are able to quantify the impacts on the simulated states and fluxes.

  11. Enhancement of a parsimonious water balance model to simulate surface hydrology in a glacierized watershed

    Science.gov (United States)

    Valentin, Melissa M.; Viger, Roland J.; Van Beusekom, Ashley E.; Hay, Lauren E.; Hogue, Terri S.; Foks, Nathan Leon

    2018-01-01

    The U.S. Geological Survey monthly water balance model (MWBM) was enhanced with the capability to simulate glaciers in order to make it more suitable for simulating cold region hydrology. The new model, MWBMglacier, is demonstrated in the heavily glacierized and ecologically important Copper River watershed in Southcentral Alaska. Simulated water budget components compared well to satellite‐based observations and ground measurements of streamflow, evapotranspiration, snow extent, and total water storage, with differences ranging from 0.2% to 7% of the precipitation flux. Nash Sutcliffe efficiency for simulated and observed streamflow was greater than 0.8 for six of eight stream gages. Snow extent matched satellite‐based observations with Nash Sutcliffe efficiency values of greater than 0.89 in the four Copper River ecoregions represented. During the simulation period 1949 to 2009, glacier ice melt contributed 25% of total runoff, ranging from 12% to 45% in different tributaries, and glacierized area was reduced by 6%. Statistically significant (p < 0.05) decreasing and increasing trends in annual glacier mass balance occurred during the multidecade cool and warm phases of the Pacific Decadal Oscillation, respectively, reinforcing the link between climate perturbations and glacier mass balance change. The simulations of glaciers and total runoff for a large, remote region of Alaska provide useful data to evaluate hydrologic, cryospheric, ecologic, and climatic trends. MWBM glacier is a valuable tool to understand when, and to what extent, streamflow may increase or decrease as glaciers respond to a changing climate.

  12. The use of simulated rainfall to study the discharge process and the influence factors of urban surface runoff pollution loads.

    Science.gov (United States)

    Qinqin, Li; Qiao, Chen; Jiancai, Deng; Weiping, Hu

    2015-01-01

    An understanding of the characteristics of pollutants on impervious surfaces is essential to estimate pollution loads and to design methods to minimize the impacts of pollutants on the environment. In this study, simulated rainfall equipment was constructed to investigate the pollutant discharge process and the influence factors of urban surface runoff (USR). The results indicated that concentrations of total suspended solids (TSS), total nitrogen (TN), total phosphorus (TP) and chemical oxygen demand (COD) appeared to be higher in the early period and then decreased gradually with rainfall duration until finally stabilized. The capacity and particle size of surface dust, rainfall intensity and urban surface slopes affected runoff pollution loads to a variable extent. The loads of TP, TN and COD showed a positive relationship with the surface dust capacity, whereas the maximum TSS load appeared when the surface dust was 0.0317 g·cm⁻². Smaller particle sizes (pollution carrying capacity of runoff, leading to higher pollution loads. Knowledge of the influence factors could assist in the management of USR pollution loads.

  13. Electromigration-Induced Surface Drift and Slit Propagation in Polycrystalline Interconnects: Insights from Phase-Field Simulations

    Science.gov (United States)

    Mukherjee, Arnab; Ankit, Kumar; Selzer, Michael; Nestler, Britta

    2018-04-01

    We employ the phase-field method to assess electromigration (EM) damage in wide polycrystalline interconnects due to grain-boundary grooving. An interplay of surface and grain-boundary diffusion is shown to drastically influence the mode of progressive EM damage. Rapid atomic transport along the surface leads to shape-preserving surface drift reminiscent of Blech drift-velocity experiments. On the other hand, a comparatively faster grain-boundary transport localizes the damage, resulting in the proliferation of intergranular slits with a shape-preserving tip. At steady state, the two regimes exhibit exponents of 1 and 3 /2 , respectively, in Black's law. While surface drift obeys an inverse scaling with grain size, slits exhibit a direct relationship at small sizes, with the dependence becoming weaker at larger ones. Furthermore, we explain the influence of curvature- or EM-mediated healing fluxes running along the surface on groove replenishment. Insights derived from phase-field simulations of EM in bicrystals are extended to investigate the multiphysics of mixed-mode damage of a polycrystalline interconnect line that is characterized by a drift of small grain surfaces, slit propagation, and coarsening. The triple and quadruple junctions are identified as prominent sites of failure.

  14. Structure of layered C[sub 60] on Si(100) surface studied by ab initio and classical molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Kawazoe, Yoshiyuki (Inst. for Materials Research, Tohoku Univ., Sendai (Japan)); Maruyama, Yutaka (Inst. for Materials Research, Tohoku Univ., Sendai (Japan)); Rafii-Tabar, H. (Inst. for Materials Research, Tohoku Univ., Sendai (Japan)); Ikeda, Makoto (Inst. for Materials Research, Tohoku Univ., Sendai (Japan)); Kamiyama, Hiroshi (Inst. for Materials Research, Tohoku Univ., Sendai (Japan)); Ohno, Kaoru (Inst. for Materials Research, Tohoku Univ., Sendai (Japan))

    1993-04-19

    The recent scanning tunnelling microscopy (STM) observations by Hashizume et al. concerning C[sub 60] buckeyballs deposited on an Si(100) surface revealed self-aligned c(4 x 4) and c(4 x 3) structures. Specific stripes on the buckeyballs in the STM images are also reported and this result proves that the buckeyballs on the Si surface are standing still, showing them to be pseudoatoms. A mixed-basis, all-electron calculation with the Car-Parinnello formalism has been introduced and performed to obtain a detailed understanding of the electronic states and dynamics of a single buckeyball. Based on the knowledge concerning a single buckeyball, a band structure calculation using the same formalism has been carried out and the experimental results have been explained clearly. A classical molecular dynamics simulation has also been performed to obtain the dynamics of the buckeyball motion on the Si surface. (orig.)

  15. Enhanced Dynamics of Hydrated tRNA on Nanodiamond Surfaces: A Combined Neutron Scattering and MD Simulation Study.

    Science.gov (United States)

    Dhindsa, Gurpreet K; Bhowmik, Debsindhu; Goswami, Monojoy; O'Neill, Hugh; Mamontov, Eugene; Sumpter, Bobby G; Hong, Liang; Ganesh, Panchapakesan; Chu, Xiang-Qiang

    2016-09-14

    Nontoxic, biocompatible nanodiamonds (ND) have recently been implemented in rational, systematic design of optimal therapeutic use in nanomedicines. However, hydrophilicity of the ND surface strongly influences structure and dynamics of biomolecules that restrict in situ applications of ND. Therefore, fundamental understanding of the impact of hydrophilic ND surface on biomolecules at the molecular level is essential. For tRNA, we observe an enhancement of dynamical behavior in the presence of ND contrary to generally observed slow motion at strongly interacting interfaces. We took advantage of neutron scattering experiments and computer simulations to demonstrate this atypical faster dynamics of tRNA on ND surface. The strong attractive interactions between ND, tRNA, and water give rise to unlike dynamical behavior and structural changes of tRNA in front of ND compared to without ND. Our new findings may provide new design principles for safer, improved drug delivery platforms.

  16. The effect of simulated inflammatory conditions on the surface properties of titanium and stainless steel and their importance as biomaterials

    International Nuclear Information System (INIS)

    Fonseca-García, Abril; Pérez-Alvarez, J.; Barrera, C.C.; Medina, J.C.; Almaguer-Flores, A.; Sánchez, R. Basurto

    2016-01-01

    This work compares the surface modifications induced by the immersion in solutions that simulate inflammatory conditions of pure titanium (cpTi) and medical grade stainless steel (SS). The inflammatory conditions were simulated using a mixture of Hartman solution and 50 mM of hydrogen peroxide (H_2O_2) at pH = 5.2. The samples were immersed by 7 days refreshing the solution every day to keep the reactivity of the H_2O_2. The surface characteristics that were investigated were: elemental composition by X-ray photoelectron spectroscopy (XPS); topography by atomic force microscopy (AFM) and profilometry; wettability and surface energy by sessile drop contact angle and point of zero charge by titration. Moreover, the variations in the electrochemical response were evaluated by open circuit potential (OCP), electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PP) performed before and after the treatment using the Hartman solution as the electrolyte. The XPS results indicated that for both metallic samples, oxidation of the surface was promoted and/or the oxide layer was thicker after the immersion. The roughness and the solid-liquid surface energy were increased; the samples showed a more hydrophilic character after the treatment. However, the surface energy of the solid estimated using the Van Oss–Chaudhury–Good approach showed different trends between the cpTi and the SS surfaces; the polar component decreased for cpTi, while it increased for SS. Finally, the electrochemical results indicated that the corrosion resistance (R_c_o_r) and the pore resistance (R_p_o) significantly decreased for cpTi, while both resistances were not significantly different for the SS. This is indicative of a higher dissolution of the cpTi compared to SS and the lower R_p_o means that the species are easily transported through the surface layer, which can be explained in terms of the formation of a porous TiO_x layer, not observed on the SS. The cpTi surface

  17. Evaluation of land surface model simulations of evapotranspiration over a 12 year crop succession: impact of the soil hydraulic properties

    Science.gov (United States)

    Garrigues, S.; Olioso, A.; Calvet, J.-C.; Martin, E.; Lafont, S.; Moulin, S.; Chanzy, A.; Marloie, O.; Desfonds, V.; Bertrand, N.; Renard, D.

    2014-10-01

    Evapotranspiration has been recognized as one of the most uncertain term in the surface water balance simulated by land surface models. In this study, the SURFEX/ISBA-A-gs simulations of evapotranspiration are assessed at local scale over a 12 year Mediterranean crop succession. The model is evaluated in its standard implementation which relies on the use of the ISBA pedotransfer estimates of the soil properties. The originality of this work consists in explicitly representing the succession of crop cycles and inter-crop bare soil periods in the simulations and assessing its impact on the dynamic of simulated and measured evapotranspiration over a long period of time. The analysis focuses on key soil parameters which drive the simulation of evapotranspiration, namely the rooting depth, the soil moisture at saturation, the soil moisture at field capacity and the soil moisture at wilting point. The simulations achieved with the standard values of these parameters are compared to those achieved with the in situ values. The portability of the ISBA pedotransfer functions is evaluated over a typical Mediterranean crop site. Various in situ estimates of the soil parameters are considered and distinct parametrization strategies are tested to represent the evapotranspiration dynamic over the crop succession. This work shows that evapotranspiration mainly results from the soil evaporation when it is continuously simulated over a Mediterranean crop succession. The evapotranspiration simulated with the standard surface and soil parameters of the model is largely underestimated. The deficit in cumulative evapotranspiration amounts to 24% over 12 years. The bias in daily daytime evapotranspiration is -0.24 mm day-1. The ISBA pedotransfer estimates of the soil moisture at saturation and at wilting point are overestimated which explains most of the evapotranspiration underestimation. The overestimation of the soil moisture at wilting point causes the underestimation of

  18. Using sea surface temperatures to improve performance of single dynamical downscaling model in flood simulation under climate change

    Science.gov (United States)

    Chao, Y.; Cheng, C. T.; Hsiao, Y. H.; Hsu, C. T.; Yeh, K. C.; Liu, P. L.

    2017-12-01

    There are 5.3 typhoons hit Taiwan per year on average in last decade. Typhoon Morakot in 2009, the most severe typhoon, causes huge damage in Taiwan, including 677 casualties and roughly NT 110 billion (3.3 billion USD) in economic loss. Some researches documented that typhoon frequency will decrease but increase in intensity in western North Pacific region. It is usually preferred to use high resolution dynamical model to get better projection of extreme events; because coarse resolution models cannot simulate intense extreme events. Under that consideration, dynamical downscaling climate data was chosen to describe typhoon satisfactorily, this research used the simulation data from AGCM of Meteorological Research Institute (MRI-AGCM). Considering dynamical downscaling methods consume massive computing power, and typhoon number is very limited in a single model simulation, using dynamical downscaling data could cause uncertainty in disaster risk assessment. In order to improve the problem, this research used four sea surfaces temperatures (SSTs) to increase the climate change scenarios under RCP 8.5. In this way, MRI-AGCMs project 191 extreme typhoons in Taiwan (when typhoon center touches 300 km sea area of Taiwan) in late 21th century. SOBEK, a two dimensions flood simulation model, was used to assess the flood risk under four SSTs climate change scenarios in Tainan, Taiwan. The results show the uncertainty of future flood risk assessment is significantly decreased in Tainan, Taiwan in late 21th century. Four SSTs could efficiently improve the problems of limited typhoon numbers in single model simulation.

  19. Effect of Non-Equilibrium Surface Thermochemistry in Simulation of Carbon Based Ablators

    Science.gov (United States)

    Chen, Yih-Kanq; Gokcen, Tahir

    2012-01-01

    This study demonstrates that coupling of a material thermal response code and a flow solver using non-equilibrium gas/surface interaction model provides time-accurate solutions for the multidimensional ablation of carbon based charring ablators. The material thermal response code used in this study is the Two-dimensional Implicit Thermal-response and AblatioN Program (TITAN), which predicts charring material thermal response and shape change on hypersonic space vehicles. Its governing equations include total energy balance, pyrolysis gas mass conservation, and a three-component decomposition model. The flow code solves the reacting Navier-Stokes equations using Data Parallel Line Relaxation (DPLR) method. Loose coupling between the material response and flow codes is performed by solving the surface mass balance in DPLR and the surface energy balance in TITAN. Thus, the material surface recession is predicted by finite-rate gas/surface interaction boundary conditions implemented in DPLR, and the surface temperature and pyrolysis gas injection rate are computed in TITAN. Two sets of nonequilibrium gas/surface interaction chemistry between air and the carbon surface developed by Park and Zhluktov, respectively, are studied. Coupled fluid-material response analyses of stagnation tests conducted in NASA Ames Research Center arc-jet facilities are considered. The ablating material used in these arc-jet tests was Phenolic Impregnated Carbon Ablator (PICA). Computational predictions of in-depth material thermal response and surface recession are compared with the experimental measurements for stagnation cold wall heat flux ranging from 107 to 1100 Watts per square centimeter.

  20. SPATKIN: a simulator for rule-based modeling of biomolecular site dynamics on surfaces.

    Science.gov (United States)

    Kochanczyk, Marek; Hlavacek, William S; Lipniacki, Tomasz

    2017-11-15

    Rule-based modeling is a powerful approach for studying biomolecular site dynamics. Here, we present SPATKIN, a general-purpose simulator for rule-based modeling in two spatial dimensions. The simulation algorithm is a lattice-based method that tracks Brownian motion of individual molecules and the stochastic firing of rule-defined reaction events. Because rules are used as event generators, the algorithm is network-free, meaning that it does not require to generate the complete reaction network implied by rules prior to simulation. In a simulation, each molecule (or complex of molecules) is taken to occupy a single lattice site that cannot be shared with another molecule (or complex). SPATKIN is capable of simulating a wide array of membrane-associated processes, including adsorption, desorption and crowding. Models are specified using an extension of the BioNetGen language, which allows to account for spatial features of the simulated process. The C ++ source code for SPATKIN is distributed freely under the terms of the GNU GPLv3 license. The source code can be compiled for execution on popular platforms (Windows, Mac and Linux). An installer for 64-bit Windows and a macOS app are available. The source code and precompiled binaries are available at the SPATKIN Web site (http://pmbm.ippt.pan.pl/software/spatkin). spatkin.simulator@gmail.com. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

  1. Simulation

    DEFF Research Database (Denmark)

    Gould, Derek A; Chalmers, Nicholas; Johnson, Sheena J

    2012-01-01

    Recognition of the many limitations of traditional apprenticeship training is driving new approaches to learning medical procedural skills. Among simulation technologies and methods available today, computer-based systems are topical and bring the benefits of automated, repeatable, and reliable p...... performance assessments. Human factors research is central to simulator model development that is relevant to real-world imaging-guided interventional tasks and to the credentialing programs in which it would be used....

  2. Simulating forest productivity and surface-atmosphere carbon exchange in the BOREAS study region.

    Science.gov (United States)

    Kimball, John S.; Thornton, Peter E.; White, Mike A.; Running, Steven W.

    1997-01-01

    A process-based, general ecosystem model (BIOME-BGC) was used to simulate daily gross primary production, maintenance and heterotrophic respiration, net primary production and net ecosystem carbon exchange of boreal aspen, jack pine and black spruce stands. Model simulations of daily net carbon exchange of the ecosystem (NEE) explained 51.7% (SE = 1.32 g C m(-2) day(-1)) of the variance in daily NEE derived from stand eddy flux measurements of CO(2) during 1994. Differences between measured and simulated results were attributed to several factors including difficulties associated with measuring nighttime CO(2) fluxes and model assumptions of site homogeneity. However, comparisons between simulations and field data improved markedly at coarser time-scales. Model simulations explained 66.1% (SE = 0.97 g C m(-2) day(-1)) of the variance in measured NEE when 5-day means of daily results were compared. Annual simulations of aboveground net primary production ranged from 0.6-2.4 Mg C ha(-1) year(-1) and were concurrent with results derived from tree increment core measurements and allometric equations. Model simulations showed that all of the sites were net sinks (0.1-4.1 Mg C ha(-1) year(-1)) of atmospheric carbon for 1994. Older conifer stands showed narrow margins between uptake of carbon by net photosynthesis and carbon release through respiration. Younger stands were more productive than older stands, primarily because of lower maintenance respiration costs. However, all sites appeared to be less productive than temperate forests. Productivity simulations were strongly linked to stand morphology and site conditions. Old jack pine and aspen stands showed decreased productivity in response to simulated low soil water contents near the end of the 1994 growing season. Compared with the aspen stand, the jack pine stand appeared better adapted to conserve soil water through lower daily evapotranspiration losses but also exhibited a narrower margin between daily net

  3. Simulated X-ray galaxy clusters at the virial radius: Slopes of the gas density, temperature and surface brightness profiles

    Science.gov (United States)

    Roncarelli, M.; Ettori, S.; Dolag, K.; Moscardini, L.; Borgani, S.; Murante, G.

    2006-12-01

    Using a set of hydrodynamical simulations of nine galaxy clusters with masses in the range 1.5 × 1014 matter of tension between simulated and observed properties, and up to the virial radius and beyond, where present observations are unable to provide any constraints. We have modelled the radial profiles between 0.3R200 and 3R200 with power laws with one index, two indexes and a rolling index. The simulated temperature and [0.5-2] keV surface brightness profiles well reproduce the observed behaviours outside the core. The shape of all these profiles in the radial range considered depends mainly on the activity of the gravitational collapse, with no significant difference among models including extraphysics. The profiles steepen in the outskirts, with the slope of the power-law fit that changes from -2.5 to -3.4 in the gas density, from -0.5 to -1.8 in the gas temperature and from -3.5 to -5.0 in the X-ray soft surface brightness. We predict that the gas density, temperature and [0.5-2] keV surface brightness values at R200 are, on average, 0.05, 0.60, 0.008 times the measured values at 0.3R200. At 2R200, these values decrease by an order of magnitude in the gas density and surface brightness, by a factor of 2 in the temperature, putting stringent limits on the detectable properties of the intracluster-medium (ICM) in the virial regions.

  4. Application of Laser Pulse Heating to Simulate Thermomechanical Damage at Gun Bore Surfaces

    National Research Council Canada - National Science Library

    Cote, Paul

    2003-01-01

    Laser pulse heating experiments were performed to provide insights into the thermomechanical damage effects that occur at the surface of coated and uncoated gun steel under cyclic rapid heating and cooling...

  5. GSFLOW model simulations used to evaluate the impact of irrigated agriculture on surface water - groundwater interaction

    Data.gov (United States)

    Department of the Interior — Watershed-scale coupled surface water (SW) – groundwater (GW) flow modeling was used to examine changes in streamflow and SW – GW interaction resulting from...

  6. An algorithm for three-dimensional Monte-Carlo simulation of charge distribution at biofunctionalized surfaces

    KAUST Repository

    Bulyha, Alena; Heitzinger, Clemens

    2011-01-01

    In this work, a Monte-Carlo algorithm in the constant-voltage ensemble for the calculation of 3d charge concentrations at charged surfaces functionalized with biomolecules is presented. The motivation for this work is the theoretical understanding

  7. Simulation of dynamic processes when machining transition surfaces of stepped shafts

    Science.gov (United States)

    Maksarov, V. V.; Krasnyy, V. A.; Viushin, R. V.

    2018-03-01

    The paper addresses the characteristics of stepped surfaces of parts categorized as "solids of revolution". It is noted that in the conditions of transition modes during the switch to end surface machining, there is cutting with varied load intensity in the section of the cut layer, which leads to change in cutting force, onset of vibrations, an increase in surface layer roughness, a decrease of size precision, and increased wear of a tool's cutting edge. This work proposes a method that consists in developing a CNC program output code that allows one to process complex forms of stepped shafts with only one machine setup. The authors developed and justified a mathematical model of a technological system for mechanical processing with consideration for the resolution of tool movement at the stages of transition processes to assess the dynamical stability of a system in the process of manufacturing stepped surfaces of parts of “solid of revolution” type.

  8. Mass and heat transfer between evaporation and condensation surfaces: Atomistic simulation and solution of Boltzmann kinetic equation.

    Science.gov (United States)

    Zhakhovsky, Vasily V; Kryukov, Alexei P; Levashov, Vladimir Yu; Shishkova, Irina N; Anisimov, Sergey I

    2018-04-16

    Boundary conditions required for numerical solution of the Boltzmann kinetic equation (BKE) for mass/heat transfer between evaporation and condensation surfaces are analyzed by comparison of BKE results with molecular dynamics (MD) simulations. Lennard-Jones potential with parameters corresponding to solid argon is used to simulate evaporation from the hot side, nonequilibrium vapor flow with a Knudsen number of about 0.02, and condensation on the cold side of the condensed phase. The equilibrium density of vapor obtained in MD simulation of phase coexistence is used in BKE calculations for consistency of BKE results with MD data. The collision cross-section is also adjusted to provide a thermal flux in vapor identical to that in MD. Our MD simulations of evaporation toward a nonreflective absorbing boundary show that the velocity distribution function (VDF) of evaporated atoms has the nearly semi-Maxwellian shape because the binding energy of atoms evaporated from the interphase layer between bulk phase and vapor is much smaller than the cohesive energy in the condensed phase. Indeed, the calculated temperature and density profiles within the interphase layer indicate that the averaged kinetic energy of atoms remains near-constant with decreasing density almost until the interphase edge. Using consistent BKE and MD methods, the profiles of gas density, mass velocity, and temperatures together with VDFs in a gap of many mean free paths between the evaporation and condensation surfaces are obtained and compared. We demonstrate that the best fit of BKE results with MD simulations can be achieved with the evaporation and condensation coefficients both close to unity.

  9. Influence of soil surface structure on simulated infiltration and subsequent evaporation

    International Nuclear Information System (INIS)

    Verplancke, H.; Hartmann, R.; Boodt, M. de

    1983-01-01

    A laboratory rainfall and evaporation experiment was conducted to study the effectiveness of the soil surface structure on infiltration and subsequent evaporation. The stability of the surface layer was improved through the application of synthetic additives such as bituminous emulsion and a prepolymer of polyurea (Uresol). The soil column where the soil surface was treated with a bituminous emulsion shows a decrease in depth of wetting owing to the water repellency of that additive, and consequently an increased runoff. However, the application of Uresol to the surface layer improved the infiltration. The main reason for these differences is that in the untreated soils there is a greater clogging of macropores originating from aggregate breakdown under raindrop impact in the top layer. The evaporation experiment started after all columns were wetted to a similar soil-water content and was carried out in a controlled environmental tunnel. Soil-water content profiles were established during evaporation by means of a fully automatic γ-ray scanner. It appears that in both treatments the cumulative evaporation was less than in the untreated soil. This was due to the effect of an aggregated and stabilized surface layer. Under a treated soil surface the evaporation remains constant during the whole experiment. However, under an untreated soil surface different evaporation stages were recorded. From these experiments the impression is gained that the effect of aggregating the soil surface is an increase of the saturated hydraulic conductivity under conditions near saturation. On the other hand, a finely structured layer exhibits a greater hydraulic conductivity during evaporation in the lower soil-water potential range than a coarsely aggregated layer. So it may be concluded that, to obtain the maximum benefit from the available water - optimal water conservation - much attention must be given to the aggregation of the top soil and its stability. (author)

  10. Adsorption and Desorption of Chemical Warfare Agent Simulants on Silica Surfaces with Hydrophobic Coating

    International Nuclear Information System (INIS)

    Park, Eun Ji; Kim, Young Dok

    2013-01-01

    Aim of our study is finding adsorbents suitable for pre-concentration of chemical warfare agents (CWAs). We considered Tenax, bare silica and polydimethylsiloxane (PDMS)-coated silica as adsorbents for dimethyl methylphosphon