Quantifying the impacts of land surface schemes and dynamic vegetation on the model dependency of projected changes in surface energy and water budgets

DOE PAGES

Yu, Miao; Wang, Guiling; Chen, Haishan

2016-03-01

Assessing and quantifying the uncertainties in projected future changes of energy and water budgets over land surface are important steps toward improving our confidence in climate change projections. In our study, the contribution of land surface models to the inter-GCM variation of projected future changes in land surface energy and water fluxes are assessed based on output from 19 global climate models (GCMs) and offline Community Land Model version 4 (CLM4) simulations driven by meteorological forcing from the 19 GCMs. Similar offline simulations using CLM4 with its dynamic vegetation submodel are also conducted to investigate how dynamic vegetation feedback, amore » process that is being added to more earth system models, may amplify or moderate the intermodel variations of projected future changes. Projected changes are quantified as the difference between the 2081–2100 period from the Representative Concentration Pathway 8.5 (RCP8.5) future experiment and the 1981–2000 period from the historical simulation. Under RCP8.5, projected changes in surface water and heat fluxes show a high degree of model dependency across the globe. Although precipitation is very likely to increase in the high latitudes of the Northern Hemisphere, a high degree of model-related uncertainty exists for evapotranspiration, soil water content, and surface runoff, suggesting discrepancy among land surface models (LSMs) in simulating the surface hydrological processes and snow-related processes. Large model-related uncertainties for the surface water budget also exist in the Tropics including southeastern South America and Central Africa. Moreover, these uncertainties would be reduced in the hypothetical scenario of a single near-perfect land surface model being used across all GCMs, suggesting the potential to reduce uncertainties through the use of more consistent approaches toward land surface model development. Under such a scenario, the most significant reduction is likely to be seen in the Northern Hemisphere high latitudes. Including representation of vegetation dynamics is expected to further amplify the model-related uncertainties in projected future changes in surface water and heat fluxes as well as soil moisture content. This is especially the case in the high latitudes of the Northern Hemisphere (e.g., northwestern North America and central North Asia) where the projected vegetation changes are uncertain and in the Tropics (e.g., the Amazon and Congo Basins) where dense vegetation exists. Finally, findings from this study highlight the importance of improving land surface model parameterizations related to soil and snow processes, as well as the importance of improving the accuracy of dynamic vegetation models.« less

Investigation of dynamic characteristics of a rotor system with surface coatings

NASA Astrophysics Data System (ADS)

Yang, Yang; Cao, Dengqing; Wang, Deyou

2017-02-01

A Jeffcott rotor system with surface coatings capable of describing the mechanical vibration resulting from unbalance and rub-impact is formulated in this article. A contact force model proposed recently to describe the impact force between the disc and casing with coatings is employed to do the dynamic analysis for the rotor system with rubbing fault. Due to the variation of penetration, the contact force model is correspondingly modified. Meanwhile, the Coulomb friction model is applied to simulate the friction characteristics. Then, the case study of rub-impact with surface coatings is simulated by the Runge-Kutta method, in which a linear interpolation method is adopted to predict the rubbing instant. Moreover, the dynamic characteristics of the rotor system with surface coatings are analyzed in terms of bifurcation plot, waveform, whirl orbit, Poincaré map and spectrum plot. And the effects of the hardness of surface coatings on the response are investigated as well. Finally, compared with the classical models, the modified contact force model is shown to be more suitable to solve the rub-impact of aero-engine with surface coatings.

Further Investigations of Gravity Modeling on Surface-Interacting Vehicle Simulations

NASA Technical Reports Server (NTRS)

Madden, Michael M.

2009-01-01

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. The dynamics of surface-interacting simulations are influenced by the modeling of gravity. Gravity is the sum of gravitation and the centrifugal acceleration due to the world s rotation. Both components are functions of position relative to the world s center and that position for a given set of geodetic coordinates (latitude, longitude, and altitude) depends on the world model (world shape and dynamics). Thus, gravity fidelity depends on the fidelities of the gravitation model and the world model and on the interaction of the gravitation and world model. A surface-interacting simulation cannot treat the gravitation separately from the world model. This paper examines the actual performance of different pairs of world and gravitation models (or direct gravity models) on the travel of a subsonic civil transport in level flight under various starting conditions.

Gravity Modeling Effects on Surface-Interacting Vehicles in Supersonic Flight

NASA Technical Reports Server (NTRS)

Madden, Michael M.

2010-01-01

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 per-form ascent, entry, descent, landing, surface travel, or atmospheric flight. The dynamics of surface-interacting simulations are influenced by the modeling of gravity. Gravity is the sum of gravitation and the centrifugal acceleration due to the world s rotation. Both components are functions of position relative to the world s center and that position for a given set of geodetic coordinates (latitude, longitude, and altitude) depends on the world model (world shape and dynamics). Thus, gravity fidelity depends on the fidelities of the gravitation model and the world model and on the interaction of these two models. A surface-interacting simulation cannot treat gravitation separately from the world model. This paper examines the actual performance of different pairs of world and gravitation models (or direct gravity models) on the travel of a supersonic aircraft in level flight under various start-ing conditions.

Using land-cover change as dynamic variables in surface-water and water-quality models

USGS Publications Warehouse

Karstensen, Krista A.; Warner, Kelly L.; Kuhn, Anne

2010-01-01

Land-cover data are typically used in hydrologic modeling to establish or describe land surface dynamics. This project is designed to demonstrate the use of land-cover change data in surface-water and water-quality models by incorporating land-cover as a variable condition. The project incorporates three different scenarios that vary hydrologically and geographically: 1) Agriculture in the Plains, 2) Loon habitat in New England, and 3) Forestry in the Ozarks.

Integrated approach to estimate the ocean's time variable dynamic topography including its covariance matrix

NASA Astrophysics Data System (ADS)

Müller, Silvia; Brockmann, Jan Martin; Schuh, Wolf-Dieter

2015-04-01

The ocean's dynamic topography as the difference between the sea surface and the geoid reflects many characteristics of the general ocean circulation. Consequently, it provides valuable information for evaluating or tuning ocean circulation models. The sea surface is directly observed by satellite radar altimetry while the geoid cannot be observed directly. The satellite-based gravity field determination requires different measurement principles (satellite-to-satellite tracking (e.g. GRACE), satellite-gravity-gradiometry (GOCE)). In addition, hydrographic measurements (salinity, temperature and pressure; near-surface velocities) provide information on the dynamic topography. The observation types have different representations and spatial as well as temporal resolutions. Therefore, the determination of the dynamic topography is not straightforward. Furthermore, the integration of the dynamic topography into ocean circulation models requires not only the dynamic topography itself but also its inverse covariance matrix on the ocean model grid. We developed a rigorous combination method in which the dynamic topography is parameterized in space as well as in time. The altimetric sea surface heights are expressed as a sum of geoid heights represented in terms of spherical harmonics and the dynamic topography parameterized by a finite element method which can be directly related to the particular ocean model grid. Besides the difficult task of combining altimetry data with a gravity field model, a major aspect is the consistent combination of satellite data and in-situ observations. The particular characteristics and the signal content of the different observations must be adequately considered requiring the introduction of auxiliary parameters. Within our model the individual observation groups are combined in terms of normal equations considering their full covariance information; i.e. a rigorous variance/covariance propagation from the original measurements to the final product is accomplished. In conclusion, the developed integrated approach allows for estimating the dynamic topography and its inverse covariance matrix on arbitrary grids in space and time. The inverse covariance matrix contains the appropriate weights for model-data misfits in least-squares ocean model inversions. The focus of this study is on the North Atlantic Ocean. We will present the conceptual design and dynamic topography estimates based on time variable data from seven satellite altimeter missions (Jason-1, Jason-2, Topex/Poseidon, Envisat, ERS-2, GFO, Cryosat2) in combination with the latest GOCE gravity field model and in-situ data from the Argo floats and near-surface drifting buoys.

A Huygens immersed-finite-element particle-in-cell method for modeling plasma-surface interactions with moving interface

NASA Astrophysics Data System (ADS)

Cao, Huijun; Cao, Yong; Chu, Yuchuan; He, Xiaoming; Lin, Tao

2018-06-01

Surface evolution is an unavoidable issue in engineering plasma applications. In this article an iterative method for modeling plasma-surface interactions with moving interface is proposed and validated. In this method, the plasma dynamics is simulated by an immersed finite element particle-in-cell (IFE-PIC) method, and the surface evolution is modeled by the Huygens wavelet method which is coupled with the iteration of the IFE-PIC method. Numerical experiments, including prototypical engineering applications, such as the erosion of Hall thruster channel wall, are presented to demonstrate features of this Huygens IFE-PIC method for simulating the dynamic plasma-surface interactions.

Dynamics of Poly(methyl methacrylate) and Polystyrene Thin Films on Hydrophobic and Hydrophilic Surfaces

NASA Astrophysics Data System (ADS)

Tsige, Mesfin

While an extensive literature dealing with the structure and dynamics of polymers at surfaces and interfaces exist, there has been a paucity of information regarding the length scale of the influence of the surface on polymer mobility and its dependence on polymer-surface interaction. To address this issue, we have investigated using molecular dynamics simulations the dynamics of PMMA and PS films of similar system sizes on two different surfaces as a function of film thickness, polymer molecular weight, and temperature. The dynamics of the polymer chains in the film on two different surfaces will be discussed in the context of a three-layer model. This work was supported by NSF Grant DMR1410290.

Measuring and modeling surface sorption dynamics of organophosphate flame retardants on impervious surfaces.

PubMed

Liang, Y; Liu, X; Allen, M R

2018-02-01

Understanding the sorption mechanisms for organophosphate flame retardants (OPFRs) on impervious surfaces is important to improve our knowledge of the fate and transport of OPFRs in indoor environments. The sorption processes of semivolatile organic compounds (SVOCs) on indoor surfaces are heterogeneous (multilayer sorption) or homogeneous (monolayer sorption). In this study, we adopted simplified Langmuir isotherm and Freundlich isotherm in a dynamic sink model to characterize the sorption dynamics of OPFRs on impervious surfaces such as stainless steel and made comparisons between the two models through a series of empty chamber studies. The tests involve two types of stainless steel chambers (53-L small chambers and 44-mL micro chambers) using tris(2-chloroethyl)phosphate (TCEP) and tris(1-chloro-2-propyl)phosphate (TCPP) as target compounds. Our test results show that the dynamic sink model using Freundlich isotherm can better represent the sorption process in the empty small chamber. Micro chamber test results from this study show that the sink model using both simplified Langmuir isotherm and Freundlich isotherm can well fit the measured gas-phase concentrations of OPFRs. We further applied both models and the parameters obtained to predict the gas phase concentrations of OPFRs in a small chamber with an emission source. Comparisons between model predictions and measurements demonstrate the reliability and applicability of the sorption parameters. Published by Elsevier Ltd.

Diffusion dynamics of the Li+ ion on a model surface of amorphous carbon: a direct molecular orbital dynamics study.

PubMed

Tachikawa, Hiroto; Shimizu, Akira

2005-07-14

Diffusion processes of the Li+ ion on a model surface of amorphous carbon (Li+C96H24 system) have been investigated by means of the direct molecular orbital (MO) dynamics method at the semiempirical AM1 level. The total energy and energy gradient on the full-dimensional AM1 potential energy surface were calculated at each time step in the dynamics calculation. The optimized structure, where Li+ is located in the center of the cluster, was used as the initial structure at time zero. The dynamics calculation was carried out in the temperature range 100-1000 K. The calculations showed that the Li+ ion vibrates around the equilibrium point below 200 K, while the Li+ ion moves on the surface above 250 K. At intermediate temperatures (300 K < T < 400 K), the ion moves on the surface and falls in the edge regions of the cluster. At higher temperatures (600 K < T), the Li+ ion transfers freely on the surface and edge regions. The diffusion pathway of the Li+ ion was discussed on the basis of theoretical results.

A corrected model for static and dynamic electromechanical instability of narrow nanotweezers: Incorporation of size effect, surface layer and finite dimensions

NASA Astrophysics Data System (ADS)

Koochi, Ali; Hosseini-Toudeshky, Hossein; Abadyan, Mohamadreza

2018-03-01

Herein, a corrected theoretical model is proposed for modeling the static and dynamic behavior of electrostatically actuated narrow-width nanotweezers considering the correction due to finite dimensions, size dependency and surface energy. The Gurtin-Murdoch surface elasticity in conjunction with the modified couple stress theory is employed to consider the coupling effect of surface stresses and size phenomenon. In addition, the model accounts for the external force corrections by incorporating the impact of narrow width on the distribution of Casimir attraction, van der Waals (vdW) force and the fringing field effect. The proposed model is beneficial for the precise modeling of the narrow nanotweezers in nano-scale.

Reactive solute transport in streams: A surface complexation approach for trace metal sorption

USGS Publications Warehouse

Runkel, Robert L.; Kimball, Briant A.; McKnight, Diane M.; Bencala, Kenneth E.

1999-01-01

A model for trace metals that considers in-stream transport, metal oxide precipitation-dissolution, and pH-dependent sorption is presented. Linkage between a surface complexation submodel and the stream transport equations provides a framework for modeling sorption onto static and/or dynamic surfaces. A static surface (e.g., an iron- oxide-coated streambed) is defined as a surface with a temporally constant solid concentration. Limited contact between solutes in the water column and the static surface is considered using a pseudokinetic approach. A dynamic surface (e.g., freshly precipitated metal oxides) has a temporally variable solid concentration and is in equilibrium with the water column. Transport and deposition of solute mass sorbed to the dynamic surface is represented in the stream transport equations that include precipitate settling. The model is applied to a pH-modification experiment in an acid mine drainage stream. Dissolved copper concentrations were depressed for a 3 hour period in response to the experimentally elevated pH. After passage of the pH front, copper was desorbed, and dissolved concentrations returned to ambient levels. Copper sorption is modeled by considering sorption to aged hydrous ferric oxide (HFO) on the streambed (static surface) and freshly precipitated HFO in the water column (dynamic surface). Comparison of parameter estimates with reported values suggests that naturally formed iron oxides may be more effective in removing trace metals than synthetic oxides used in laboratory studies. The model's ability to simulate pH, metal oxide precipitation-dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between trace metal chemistry and hydrologic transport at the field scale.

Steering of Upper Ocean Currents and Fronts by the Topographically Constrained Abyssal Circulation

DTIC Science & Technology

2008-07-06

a) Mean surface dynamic height relative to 1000 m from version 2.5 of the Generalized Digital Environmental Model ( GDEM ) oceanic climatology, an...NLOM simulations in comparison to the mean surface dynamic height with respect to 1000 m from the Generalized Digital Environmental Model ( GDEM ...the Kuroshio pathway east of Japan, giving much better agreement with the pathway in the GDEM climatology. Dynamics of the topographic impact on

Dynamics of solid thin-film dewetting in the silicon-on-insulator system

NASA Astrophysics Data System (ADS)

Bussmann, E.; Cheynis, F.; Leroy, F.; Müller, P.; Pierre-Louis, O.

2011-04-01

Using low-energy electron microscopy movies, we have measured the dewetting dynamics of single-crystal Si(001) thin films on SiO2 substrates. During annealing (T>700 °C), voids open in the Si, exposing the oxide. The voids grow, evolving Si fingers that subsequently break apart into self-organized three-dimensional (3D) Si nanocrystals. A kinetic Monte Carlo model incorporating surface and interfacial free energies reproduces all the salient features of the morphological evolution. The dewetting dynamics is described using an analytic surface-diffusion-based model. We demonstrate quantitatively that Si dewetting from SiO2 is mediated by surface-diffusion driven by surface free-energy minimization.

Enhanced Arctic Mean Sea Surface and Mean Dynamic Topography including retracked CryoSat-2 Data

NASA Astrophysics Data System (ADS)

Andersen, O. B.; Jain, M.; Stenseng, L.; Knudsen, P.

2014-12-01

A reliable mean sea surface (MSS) is essential to derive a good mean dynamic topography (MDT) and for the estimation of short and long-term changes in the sea surface. The lack of satellite radar altimetry observations above 82 degrees latitude means that existing mean sea surface models have been unreliable in the Arctic Ocean. We here present the latest DTU mean sea surface and mean dynamic topography models combining conventional altimetry with retracked CryoSat-2 data to improve the reliability in the Arctic Ocean. For the derivation of a mean dynamic topography the ESA GOCE derived geoid model have been used to constrain the longer wavelength. We present the retracking of C2 SAR data using various retrackes and how we have been able to combine data from various retrackers under various sea ice conditions. DTU13MSS and DTU13MDT are the newest state of the art global high-resolution models including CryoSat-2 data to extend the satellite radar altimetry coverage up to 88 degrees latitude and through combination with a GOCE geoid model completes coverage all the way to the North Pole. Furthermore the SAR and SARin capability of CryoSat-2 dramatically increases the amount of useable sea surface returns in sea-ice covered areas compared to conventional radar altimeters like ENVISAT and ERS-1/2. With the inclusion of CryoSat-2 data the new mean sea surface is improved by more than 20 cm above 82 degrees latitude compared with the previous generation of mean sea surfaces.

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

PubMed

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.

Quantum dynamics of water dissociative chemisorption on rigid Ni(111): An approximate nine-dimensional treatment

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

Jiang, Bin, E-mail: bjiangch@ustc.edu.cn, E-mail: hguo@unm.edu; Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131; Song, Hongwei

The quantum dynamics of water dissociative chemisorption on the rigid Ni(111) surface is investigated using a recently developed nine-dimensional potential energy surface. The quantum dynamical model includes explicitly seven degrees of freedom of D{sub 2}O at fixed surface sites, and the final results were obtained with a site-averaging model. The mode specificity in the site-specific results is reported and analyzed. Finally, the approximate sticking probabilities for various vibrationally excited states of D{sub 2}O are obtained considering surface lattice effects and formally all nine degrees of freedom. The comparison with experiment reveals the inaccuracy of the density functional theory and suggestsmore » the need to improve the potential energy surface.« less

Dynamic model of the force driving kinesin to move along microtubule-Simulation with a model system

NASA Astrophysics Data System (ADS)

Chou, Y. C.; Hsiao, Yi-Feng; To, Kiwing

2015-09-01

A dynamic model for the motility of kinesin, including stochastic-force generation and step formation is proposed. The force driving the motion of kinesin motor is generated by the impulse from the collision between the randomly moving long-chain stalk and the ratchet-shaped outer surface of microtubule. Most of the dynamical and statistical features of the motility of kinesin are reproduced in a simulation system, with (a) ratchet structures similar to the outer surface of microtubule, (b) a bead chain connected to two heads, similarly to the stalk of the real kinesin motor, and (c) the interaction between the heads of the simulated kinesin and microtubule. We also propose an experiment to discriminate between the conventional hand-over-hand model and the dynamic model.

Subsonic and transonic pressure measurements on a high-aspect-ratio supercritical-wing model with oscillating control surfaces

NASA Technical Reports Server (NTRS)

Sandford, M. C.; Ricketts, R. H.; Watson, J. J.

1981-01-01

A high aspect ratio supercritical wing with oscillating control surfaces is described. The semispan wing model was instrumented with 252 static orifices and 164 in situ dynamic pressure gases for studying the effects of control surface position and sinusoidal motion on steady and unsteady pressures. Data from the present test (this is the second in a series of tests on this model) were obtained in the Langley Transonic Dynamics Tunnel at Mach numbers of 0.60 and 0.78 and are presented in tabular form.

Time-resolved spectroscopy at surfaces and adsorbate dynamics:insights from a model-system approach

NASA Astrophysics Data System (ADS)

Boström, Emil; Mikkelsen, Anders; Verdozzi, Claudio

We introduce a finite-system, model description of the initial stages of femtosecond laser induced desorption at surfaces. Using the exact many-body time evolution and also results from a novel time-dependent DFT description for electron-nuclear systems, we analyse the competition between several surface-response mechanisms and electronic correlations in the transient and longer time dynamics under the influence of dipole-coupled fields. Our model allows us to explore how coherent multiple-pulse protocols impact desorption in a variety of prototypical experiments.

Influence of foundation mass and surface roughness on dynamic response of beam on dynamic foundation subjected to the moving load

NASA Astrophysics Data System (ADS)

Tran Quoc, Tinh; Khong Trong, Toan; Luong Van, Hai

2018-04-01

In this paper, Improved Moving Element Method (IMEM) is used to analyze the dynamic response of Euler-Bernoulli beam structures on the dynamic foundation model subjected to the moving load. The effects of characteristic foundation model parameters such as Winkler stiffness, shear layer based on the Pasternak model, viscoelastic dashpot and characteristic parameter of mass on foundation. Beams are modeled by moving elements while the load is fixed. Based on the principle of the publicly virtual balancing and the theory of moving element method, the motion differential equation of the system is established and solved by means of the numerical integration based on the Newmark algorithm. The influence of mass on foundation and the roughness of the beam surface on the dynamic response of beam are examined in details.

Modeling apple surface temperature dynamics based on weather data.

PubMed

Li, Lei; Peters, Troy; Zhang, Qin; Zhang, Jingjin; Huang, Danfeng

2014-10-27

The exposure of fruit surfaces to direct sunlight during the summer months can result in sunburn damage. Losses due to sunburn damage are a major economic problem when marketing fresh apples. The objective of this study was to develop and validate a model for simulating fruit surface temperature (FST) dynamics based on energy balance and measured weather data. A series of weather data (air temperature, humidity, solar radiation, and wind speed) was recorded for seven hours between 11:00-18:00 for two months at fifteen minute intervals. To validate the model, the FSTs of "Fuji" apples were monitored using an infrared camera in a natural orchard environment. The FST dynamics were measured using a series of thermal images. For the apples that were completely exposed to the sun, the RMSE of the model for estimating FST was less than 2.0 °C. A sensitivity analysis of the emissivity of the apple surface and the conductance of the fruit surface to water vapour showed that accurate estimations of the apple surface emissivity were important for the model. The validation results showed that the model was capable of accurately describing the thermal performances of apples under different solar radiation intensities. Thus, this model could be used to more accurately estimate the FST relative to estimates that only consider the air temperature. In addition, this model provides useful information for sunburn protection management.

Modeling Apple Surface Temperature Dynamics Based on Weather Data

PubMed Central

Li, Lei; Peters, Troy; Zhang, Qin; Zhang, Jingjin; Huang, Danfeng

2014-01-01

The exposure of fruit surfaces to direct sunlight during the summer months can result in sunburn damage. Losses due to sunburn damage are a major economic problem when marketing fresh apples. The objective of this study was to develop and validate a model for simulating fruit surface temperature (FST) dynamics based on energy balance and measured weather data. A series of weather data (air temperature, humidity, solar radiation, and wind speed) was recorded for seven hours between 11:00–18:00 for two months at fifteen minute intervals. To validate the model, the FSTs of “Fuji” apples were monitored using an infrared camera in a natural orchard environment. The FST dynamics were measured using a series of thermal images. For the apples that were completely exposed to the sun, the RMSE of the model for estimating FST was less than 2.0 °C. A sensitivity analysis of the emissivity of the apple surface and the conductance of the fruit surface to water vapour showed that accurate estimations of the apple surface emissivity were important for the model. The validation results showed that the model was capable of accurately describing the thermal performances of apples under different solar radiation intensities. Thus, this model could be used to more accurately estimate the FST relative to estimates that only consider the air temperature. In addition, this model provides useful information for sunburn protection management. PMID:25350507

Modeling and simulation of dynamics of a planar-motion rigid body with friction and surface contact

NASA Astrophysics Data System (ADS)

Wang, Xiaojun; Lv, Jing

2017-07-01

The modeling and numerical method for the dynamics of a planar-motion rigid body with frictional contact between plane surfaces were presented based on the theory of contact mechanics and the algorithm of linear complementarity problem (LCP). The Coulomb’s dry friction model is adopted as the friction law, and the normal contact forces are expressed as functions of the local deformations and their speeds in contact bodies. The dynamic equations of the rigid body are obtained by the Lagrange equation. The transition problem of stick-slip motions between contact surfaces is formulated and solved as LCP through establishing the complementary conditions of the friction law. Finally, a numerical example is presented as an example to show the application.

Effect of fullerenol surface chemistry on nanoparticle binding-induced protein misfolding

NASA Astrophysics Data System (ADS)

Radic, Slaven; Nedumpully-Govindan, Praveen; Chen, Ran; Salonen, Emppu; Brown, Jared M.; Ke, Pu Chun; Ding, Feng

2014-06-01

Fullerene and its derivatives with different surface chemistry have great potential in biomedical applications. Accordingly, it is important to delineate the impact of these carbon-based nanoparticles on protein structure, dynamics, and subsequently function. Here, we focused on the effect of hydroxylation -- a common strategy for solubilizing and functionalizing fullerene -- on protein-nanoparticle interactions using a model protein, ubiquitin. We applied a set of complementary computational modeling methods, including docking and molecular dynamics simulations with both explicit and implicit solvent, to illustrate the impact of hydroxylated fullerenes on the structure and dynamics of ubiquitin. We found that all derivatives bound to the model protein. Specifically, the more hydrophilic nanoparticles with a higher number of hydroxyl groups bound to the surface of the protein via hydrogen bonds, which stabilized the protein without inducing large conformational changes in the protein structure. In contrast, fullerene derivatives with a smaller number of hydroxyl groups buried their hydrophobic surface inside the protein, thereby causing protein denaturation. Overall, our results revealed a distinct role of surface chemistry on nanoparticle-protein binding and binding-induced protein misfolding.Fullerene and its derivatives with different surface chemistry have great potential in biomedical applications. Accordingly, it is important to delineate the impact of these carbon-based nanoparticles on protein structure, dynamics, and subsequently function. Here, we focused on the effect of hydroxylation -- a common strategy for solubilizing and functionalizing fullerene -- on protein-nanoparticle interactions using a model protein, ubiquitin. We applied a set of complementary computational modeling methods, including docking and molecular dynamics simulations with both explicit and implicit solvent, to illustrate the impact of hydroxylated fullerenes on the structure and dynamics of ubiquitin. We found that all derivatives bound to the model protein. Specifically, the more hydrophilic nanoparticles with a higher number of hydroxyl groups bound to the surface of the protein via hydrogen bonds, which stabilized the protein without inducing large conformational changes in the protein structure. In contrast, fullerene derivatives with a smaller number of hydroxyl groups buried their hydrophobic surface inside the protein, thereby causing protein denaturation. Overall, our results revealed a distinct role of surface chemistry on nanoparticle-protein binding and binding-induced protein misfolding. Electronic supplementary information (ESI) is available: Fluorescence spectra, ITC, CD spectra and other data as described in the text. See DOI: 10.1039/c4nr01544d

Towards A Synthesis Of Land Dynamics And Hydrological Processes Across Central Asia

NASA Astrophysics Data System (ADS)

Sokolik, I. N.; Tatarskii, V.; Shiklomanov, A. I.; Henebry, G. M.; de Beurs, K.; Laruelle, M.

2016-12-01

We present results from an ongoing project that aims to synthesize land dynamics, hydrological processes, and socio-economic changes across the five countries of Central Asia. We have developed a fully coupled model that takes into account the reconstructed land cover and land use dynamics to simulate dust emissions. A comparable model has been developed to model smoke emissions from wildfires. Both models incorporate land dynamics explicitly. We also present a characterization of land surface change based on a suite of MODIS products including vegetation indices, evapotranspiration, land surface temperature, and albedo. These results are connected with ongoing land privatization reforms that different across the region. We also present a regional analysis of water resources, including the significant impact of using surface water for irrigation in an arid landscape. We applied the University of New Hampshire hydrological model to understand the consequences of changes in climate, water, and land use on regional hydrological processes and water use. Water security and its dynamic have been estimated through an analysis of multiple indices and variables characterizing the water availability and water use. The economic consequences of the water privatization processes will be presented.

Incorporating human-water dynamics in a hyper-resolution land surface model

NASA Astrophysics Data System (ADS)

Vergopolan, N.; Chaney, N.; Wanders, N.; Sheffield, J.; Wood, E. F.

2017-12-01

The increasing demand for water, energy, and food is leading to unsustainable groundwater and surface water exploitation. As a result, the human interactions with the environment, through alteration of land and water resources dynamics, need to be reflected in hydrologic and land surface models (LSMs). Advancements in representing human-water dynamics still leave challenges related to the lack of water use data, water allocation algorithms, and modeling scales. This leads to an over-simplistic representation of human water use in large-scale models; this is in turn leads to an inability to capture extreme events signatures and to provide reliable information at stakeholder-level spatial scales. The emergence of hyper-resolution models allows one to address these challenges by simulating the hydrological processes and interactions with the human impacts at field scales. We integrated human-water dynamics into HydroBlocks - a hyper-resolution, field-scale resolving LSM. HydroBlocks explicitly solves the field-scale spatial heterogeneity of land surface processes through interacting hydrologic response units (HRUs); and its HRU-based model parallelization allows computationally efficient long-term simulations as well as ensemble predictions. The implemented human-water dynamics include groundwater and surface water abstraction to meet agricultural, domestic and industrial water demands. Furthermore, a supply-demand water allocation scheme based on relative costs helps to determine sectoral water use requirements and tradeoffs. A set of HydroBlocks simulations over the Midwest United States (daily, at 30-m spatial resolution for 30 years) are used to quantify the irrigation impacts on water availability. The model captures large reductions in total soil moisture and water table levels, as well as spatiotemporal changes in evapotranspiration and runoff peaks, with their intensity related to the adopted water management strategy. By incorporating human-water dynamics in a hyper-resolution LSM this work allows for progress on hydrological monitoring and predictions, as well as drought preparedness and water impact assessments at relevant decision-making scales.

Dynamical analysis of surface-insulated planar wire array Z-pinches

NASA Astrophysics Data System (ADS)

Li, Yang; Sheng, Liang; Hei, Dongwei; Li, Xingwen; Zhang, Jinhai; Li, Mo; Qiu, Aici

2018-05-01

The ablation and implosion dynamics of planar wire array Z-pinches with and without surface insulation are compared and discussed in this paper. This paper first presents a phenomenological model named the ablation and cascade snowplow implosion (ACSI) model, which accounts for the ablation and implosion phases of a planar wire array Z-pinch in a single simulation. The comparison between experimental data and simulation results shows that the ACSI model could give a fairly good description about the dynamical characteristics of planar wire array Z-pinches. Surface insulation introduces notable differences in the ablation phase of planar wire array Z-pinches. The ablation phase is divided into two stages: insulation layer ablation and tungsten wire ablation. The two-stage ablation process of insulated wires is simulated in the ACSI model by updating the formulas describing the ablation process.

Collective Surfing of Chemically Active Particles

NASA Astrophysics Data System (ADS)

Masoud, Hassan; Shelley, Michael J.

2014-03-01

We study theoretically the collective dynamics of immotile particles bound to a 2D surface atop a 3D fluid layer. These particles are chemically active and produce a chemical concentration field that creates surface-tension gradients along the surface. The resultant Marangoni stresses create flows that carry the particles, possibly concentrating them. For a 3D diffusion-dominated concentration field and Stokesian fluid we show that the surface dynamics of active particle density can be determined using nonlocal 2D surface operators. Remarkably, we also show that for both deep or shallow fluid layers this surface dynamics reduces to the 2D Keller-Segel model for the collective chemotactic aggregation of slime mold colonies. Mathematical analysis has established that the Keller-Segel model can yield finite-time, finite-mass concentration singularities. We show that such singular behavior occurs in our finite-depth system, and study the associated 3D flow structures.

Effect of Surface Tension Anisotropy and Welding Parameters on Initial Instability Dynamics During Solidification: A Phase-Field Study

NASA Astrophysics Data System (ADS)

Yu, Fengyi; Wei, Yanhong

2018-05-01

The effects of surface tension anisotropy and welding parameters on initial instability dynamics during gas tungsten arc welding of an Al-alloy are investigated by a quantitative phase-field model. The results show that the surface tension anisotropy and welding parameters affect the initial instability dynamics in different ways during welding. The surface tension anisotropy does not influence the solute diffusion process but does affect the stability of the solid/liquid interface during solidification. The welding parameters affect the initial instability dynamics by varying the growth rate and thermal gradient. The incubation time decreases, and the initial wavelength remains stable as the welding speed increases. When welding power increases, the incubation time increases and the initial wavelength slightly increases. Experiments were performed for the same set of welding parameters used in modeling, and the results of the experiments and simulations were in good agreement.

Dynamic Topography at Earth's Surface: Fact or Fiction? (Invited)

NASA Astrophysics Data System (ADS)

Lithgow-Bertelloni, C. R.; Silver, P. G.

2009-12-01

Contributions to Earth’s surface topography range from short-wavelength uncompensated features due to tectonic activity, to variations in crustal structure and long-wavelength deflections of the lithosphere caused by mantle dynamics. The latter we call dynamic topography. Dynamic topography elevates or depresses the surface even if the density anomaly giving rise to flow is deep in the mantle. Dynamic topography is also a major contributor to Earth’s gravitational potential and to surface deformation. However, direct observations of dynamic topography are elusive, because signals are obscured by the isostatic contribution due to crustal and lithospheric structure. The only seemingly unequivocal signals of dynamically supported topography have been found over mantle upwellings on both continents (Africa [Lithgow-Bertelloni and Silver, 1998] and Arabia [Daradich et al., 2004]) and oceanic basins (North-Atlantic [Conrad et al., 2004]). Recent work on Africa’s geomorphic history [Moore et al., 2009] and North Atlantic gravity and topography have called even these results into questions. In downwelling regions (near slabs) no clear signals have been found. I will explore why this dichotomy may exist and relate it to the need for dynamic topography in mantle flow models, with an eye towards the effects of phase transitions, lateral variations in viscosity and layered convection. I will also present recent results on dynamic topography over flat slab segments that overturn the conventional wisdom and explain basin topography in the Andean foreland. Along with the new models I will discuss a recent global lithospheric structure model with which to compute the residual topography, i.e. the “observed” dynamic topography.

Proton exchange membrane fuel cell model for aging predictions: Simulated equivalent active surface area loss and comparisons with durability tests

NASA Astrophysics Data System (ADS)

Robin, C.; Gérard, M.; Quinaud, M.; d'Arbigny, J.; Bultel, Y.

2016-09-01

The prediction of Proton Exchange Membrane Fuel Cell (PEMFC) lifetime is one of the major challenges to optimize both material properties and dynamic control of the fuel cell system. In this study, by a multiscale modeling approach, a mechanistic catalyst dissolution model is coupled to a dynamic PEMFC cell model to predict the performance loss of the PEMFC. Results are compared to two 2000-h experimental aging tests. More precisely, an original approach is introduced to estimate the loss of an equivalent active surface area during an aging test. Indeed, when the computed Electrochemical Catalyst Surface Area profile is fitted on the experimental measures from Cyclic Voltammetry, the computed performance loss of the PEMFC is underestimated. To be able to predict the performance loss measured by polarization curves during the aging test, an equivalent active surface area is obtained by a model inversion. This methodology enables to successfully find back the experimental cell voltage decay during time. The model parameters are fitted from the polarization curves so that they include the global degradation. Moreover, the model captures the aging heterogeneities along the surface of the cell observed experimentally. Finally, a second 2000-h durability test in dynamic operating conditions validates the approach.

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

NASA Astrophysics Data System (ADS)

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.

Marangoni-driven chemotaxis, chemotactic collapse, and the Keller-Segel equation

NASA Astrophysics Data System (ADS)

Shelley, Michael; Masoud, Hassan

2013-11-01

Almost by definition, chemotaxis involves the biased motion of motile particles along gradients of a chemical concentration field. Perhaps the most famous model for collective chemotaxis in mathematical biology is the Keller-Segel model, conceived to describe collective aggregation of slime mold colonies in response to an intrinsically produced, and diffusing, chemo-attractant. Heavily studied, particularly in 2D where the system is ``super-critical'', it has been proved that the KS model can develop finite-time singularities - so-called chemotactic collapse - of delta-function type. Here, we study the collective dynamics of immotile particles bound to a 2D interface above a 3D fluid. These particles are chemically active and produce a diffusing field that creates surface-tension gradients along the surface. The resultant Marangoni stresses create flows that carry the particles, possibly concentrating them. Remarkably, we show that this system involving 3D diffusion and fluid dynamics, exactly yields the 2D Keller-Segel model for the surface-flow of active particles. We discuss the consequences of collapse on the 3D fluid dynamics, and generalizations of the fluid-dynamical model.

Local stability of galactic discs in modified dynamics

NASA Astrophysics Data System (ADS)

Shenavar, Hossein; Ghafourian, Neda

2018-04-01

The local stability of stellar and fluid discs, under a new modified dynamical model, is surveyed by using WKB approximation. The exact form of the modified Toomre criterion is derived for both types of systems and it is shown that the new model is, in all situations, more locally stable than Newtonian model. In addition, it has been proved that the central surface density of the galaxies plays an important role in the local stability in the sense that low surface brightness (LSB) galaxies are more stable than high surface brightness (HSBs). Furthermore, the growth rate in the new model is found to be lower than the Newtonian one. We found that, according to this model, the local instability is related to the ratio of surface density of the disc to a critical surface density Σcrit. We provide observational evidence to support this result based on star formation rate in HSBs and LSBs.

A smoothed particle hydrodynamics model for droplet and film flow on smooth and rough fracture surfaces

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

Kordilla, Jannes; Tartakovsky, Alexandre M.; Geyer, Tobias

2013-09-01

Flow on fracture surfaces has been identified by many authors as an important flow process in unsaturated fractured rock formations. Given the complexity of flow dynamics on such small scales, robust numerical methods have to be employed in order to capture the highly dynamic interfaces and flow intermittency. In this work we present microscale free-surface flow simulations using a three-dimensional multiphase Smoothed Particle Hydrodynamics (SPH) code. Pairwise solid-fluid and fluid-fluid interaction forces are used to control the wetting behavior and cover a wide range of static and transient contact angles as well as Reynolds numbers encountered in droplet flow onmore » rock surfaces. We validate our model via comparison with existing empirical and semi-analyical solutions for droplet flow. We use the model to investigate the occurence of adsorbed trailing films of droplets under various flow conditions and its importance for the flow dynamics when films and droplets coexist. We show that flow velocities are higher on prewetted surfaces covered by a thin film which is qualitatively attributed to the enhanced dynamic wetting and dewetting at the trailing and advancing contact line.« less

Enhancing the Arctic Mean Sea Surface and Mean Dynamic Topography with CryoSat-2 Data

NASA Astrophysics Data System (ADS)

Stenseng, Lars; Andersen, Ole B.; Knudsen, Per

2014-05-01

A reliable mean sea surface (MSS) is essential to derive a good mean dynamic topography (MDT) and for the estimation of short and long-term changes in the sea surface. The lack of satellite radar altimetry observations above 82 degrees latitude means that existing mean sea surface models have been unreliable in the Arctic Ocean. We here present the latest DTU mean sea surface and mean dynamic topography models that includes CryoSat-2 data to improve the reliability in the Arctic Ocean. In an attempt to extrapolate across the gap above 82 degrees latitude the previously models included ICESat data, gravimetrical geoids, ocean circulation models and various combinations hereof. Unfortunately cloud cover and the short periods of operation has a negative effect on the number of ICESat sea surface observations. DTU13MSS and DTU13MDT are the new generation of state of the art global high-resolution models that includes CryoSat-2 data to extend the satellite radar altimetry coverage up to 88 degrees latitude. Furthermore the SAR and SARin capability of CryoSat-2 dramatically increases the amount of useable sea surface returns in sea-ice covered areas compared to conventional radar altimeters like ENVISAT and ERS-1/2. With the inclusion of CryoSat-2 data the new mean sea surface is improved by more than 20 cm above 82 degrees latitude compared with the previous generation of mean sea surfaces.

Interfacial welding of dynamic covalent network polymers

NASA Astrophysics Data System (ADS)

Yu, Kai; Shi, Qian; Li, Hao; Jabour, John; Yang, Hua; Dunn, Martin L.; Wang, Tiejun; Qi, H. Jerry

2016-09-01

Dynamic covalent network (or covalent adaptable network) polymers can rearrange their macromolecular chain network by bond exchange reactions (BERs) where an active unit replaces a unit in an existing bond to form a new bond. Such macromolecular events, when they occur in large amounts, can attribute to unusual properties that are not seen in conventional covalent network polymers, such as shape reforming and surface welding; the latter further enables the important attributes of material malleability and powder-based reprocessing. In this paper, a multiscale modeling framework is developed to study the surface welding of thermally induced dynamic covalent network polymers. At the macromolecular network level, a lattice model is developed to describe the chain density evolution across the interface and its connection to bulk stress relaxation due to BERs. The chain density evolution rule is then fed into a continuum level interfacial model that takes into account surface roughness and applied pressure to predict the effective elastic modulus and interfacial fracture energy of welded polymers. The model yields particularly accessible results where the moduli and interfacial strength of the welded samples as a function of temperature and pressure can be predicted with four parameters, three of which can be measured directly. The model identifies the dependency of surface welding efficiency on the applied thermal and mechanical fields: the pressure will affect the real contact area under the consideration of surface roughness of dynamic covalent network polymers; the chain density increment on the real contact area of interface is only dependent on the welding time and temperature. The modeling approach shows good agreement with experiments and can be extended to other types of dynamic covalent network polymers using different stimuli for BERs, such as light and moisture etc.

Insights into structural and dynamical features of water at halloysite interfaces probed by DFT and classical molecular dynamics simulations.

PubMed

Presti, Davide; Pedone, Alfonso; Mancini, Giordano; Duce, Celia; Tiné, Maria Rosaria; Barone, Vincenzo

2016-01-21

Density functional theory calculations and classical molecular dynamics simulations have been used to investigate the structure and dynamics of water molecules on kaolinite surfaces and confined in the interlayer of a halloysite model of nanometric dimension. The first technique allowed us to accurately describe the structure of the tetrahedral-octahedral slab of kaolinite in vacuum and in interaction with water molecules and to assess the performance of two widely employed empirical force fields to model water/clay interfaces. Classical molecular dynamics simulations were used to study the hydrogen bond network structure and dynamics of water adsorbed on kaolinite surfaces and confined in the halloysite interlayer. The results are in nice agreement with the few experimental data available in the literature, showing a pronounced ordering and reduced mobility of water molecules at the hydrophilic octahedral surfaces of kaolinite and confined in the halloysite interlayer, with respect to water interacting with the hydrophobic tetrahedral surfaces and in the bulk. Finally, this investigation provides new atomistic insights into the structural and dynamical properties of water-clay interfaces, which are of fundamental importance for both natural processes and industrial applications.

Dynamic sea surface topography, gravity and improved orbit accuracies from the direct evaluation of SEASAT altimeter data

NASA Technical Reports Server (NTRS)

Marsh, J. G.; Lerch, F.; Koblinsky, C. J.; Klosko, S. M.; Robbins, J. W.; Williamson, R. G.; Patel, G. B.

1989-01-01

A method for the simultaneous solution of dynamic ocean topography, gravity and orbits using satellite altimeter data is described. A GEM-T1 based gravitational model called PGS-3337 that incorporates Seasat altimetry, surface gravimetry and satellite tracking data has been determined complete to degree and order 50. The altimeter data is utilized as a dynamic observation of the satellite's height above the sea surface with a degree 10 model of dynamic topography being recovered simultaneously with the orbit parameters, gravity and tidal terms in this model. PGS-3337 has a geoid uncertainty of 60 cm root-mean-square (RMS) globally, with the uncertainty over the altimeter tracked ocean being in the 25 cm range. Doppler determined orbits for Seasat, show large improvements, with the sub-30 cm radial accuracies being achieved. When altimeter data is used in orbit determination, radial orbital accuracies of 20 cm are achieved. The RMS of fit to the altimeter data directly gives 30 cm fits for Seasat when using PGS-3337 and its geoid and dynamic topography model. This performance level is two to three times better than that achieved with earlier Goddard earth models (GEM) using the dynamic topography from long-term oceanographic averages. The recovered dynamic topography reveals the global long wavelength circulation of the oceans with a resolution of 1500 km. The power in the dynamic topography recovery is now found to be closer to that of oceanographic studies than for previous satellite solutions. This is attributed primarily to the improved modeling of the geoid which has occurred. Study of the altimeter residuals reveals regions where tidal models are poor and sea state effects are major limitations.

High-resolution climate and land surface interactions modeling over Belgium: current state and decennial scale projections

NASA Astrophysics Data System (ADS)

Jacquemin, Ingrid; Henrot, Alexandra-Jane; Beckers, Veronique; Berckmans, Julie; Debusscher, Bos; Dury, Marie; Minet, Julien; Hamdi, Rafiq; Dendoncker, Nicolas; Tychon, Bernard; Hambuckers, Alain; François, Louis

2016-04-01

The interactions between land surface and climate are complex. Climate changes can affect ecosystem structure and functions, by altering photosynthesis and productivity or inducing thermal and hydric stresses on plant species. These changes then impact socio-economic systems, through e.g., lower farming or forestry incomes. Ultimately, it can lead to permanent changes in land use structure, especially when associated with other non-climatic factors, such as urbanization pressure. These interactions and changes have feedbacks on the climate systems, in terms of changing: (1) surface properties (albedo, roughness, evapotranspiration, etc.) and (2) greenhouse gas emissions (mainly CO2, CH4, N2O). In the framework of the MASC project (« Modelling and Assessing Surface Change impacts on Belgian and Western European climate »), we aim at improving regional climate model projections at the decennial scale over Belgium and Western Europe by combining high-resolution models of climate, land surface dynamics and socio-economic processes. The land surface dynamics (LSD) module is composed of a dynamic vegetation model (CARAIB) calculating the productivity and growth of natural and managed vegetation, and an agent-based model (CRAFTY), determining the shifts in land use and land cover. This up-scaled LSD module is made consistent with the surface scheme of the regional climate model (RCM: ALARO) to allow simulations of the RCM with a fully dynamic land surface for the recent past and the period 2000-2030. In this contribution, we analyze the results of the first simulations performed with the CARAIB dynamic vegetation model over Belgium at a resolution of 1km. This analysis is performed at the species level, using a set of 17 species for natural vegetation (trees and grasses) and 10 crops, especially designed to represent the Belgian vegetation. The CARAIB model is forced with surface atmospheric variables derived from the monthly global CRU climatology or ALARO outputs (from a 4 km resolution simulation) for the recent past and the decennial projections. Evidently, these simulations lead to a first analysis of the impact of climate change on carbon stocks (e.g., biomass, soil carbon) and fluxes (e.g., gross and net primary productivities (GPP and NPP) and net ecosystem production (NEP)). The surface scheme is based on two land use/land cover databases, ECOPLAN for the Flemish region and, for the Walloon region, the COS-Wallonia database and the Belgian agricultural statistics for agricultural land. Land use and land cover are fixed through time (reference year: 2007) in these simulations, but a first attempt of coupling between CARAIB and CRAFTY will be made to establish dynamic land use change scenarios for the next decades. A simulation with variable land use would allow an analysis of land use change impacts not only on crop yields and the land carbon budget, but also on climate relevant parameters, such as surface albedo, roughness length and evapotranspiration towards a coupling with the RCM.

Modeling Climate Dynamically

ERIC Educational Resources Information Center

Walsh, Jim; McGehee, Richard

2013-01-01

A dynamical systems approach to energy balance models of climate is presented, focusing on low order, or conceptual, models. Included are global average and latitude-dependent, surface temperature models. The development and analysis of the differential equations and corresponding bifurcation diagrams provides a host of appropriate material for…

Steady- and unsteady-pressure measurements on a supercritical-wing model with oscillating control surfaces at subsonic and transonic speeds

NASA Technical Reports Server (NTRS)

Sandford, M. C.; Ricketts, R. H.

1983-01-01

A high aspect ratio supercritical wing with oscillating control surfaces is described. The semispan wing model was instrumented with 252 static pressure orifices and 164 in situ dynamic pressure gages for studying the effects of control surface position and sinusoidal motion on steady and unsteady pressures. Results from the present test (the third in a series of tests on this model) were obtained in the Langley Transonic Dynamics Tunnel at Mach numbers of 0.60, 0.78, and 0.86 and are presented in tabular form.

Modeling equine race surface vertical mechanical behaviors in a musculoskeletal modeling environment.

PubMed

Symons, Jennifer E; Fyhrie, David P; Hawkins, David A; Upadhyaya, Shrinivasa K; Stover, Susan M

2015-02-26

Race surfaces have been associated with the incidence of racehorse musculoskeletal injury, the leading cause of racehorse attrition. Optimal race surface mechanical behaviors that minimize injury risk are unknown. Computational models are an economical method to determine optimal mechanical behaviors. Previously developed equine musculoskeletal models utilized ground reaction floor models designed to simulate a stiff, smooth floor appropriate for a human gait laboratory. Our objective was to develop a computational race surface model (two force-displacement functions, one linear and one nonlinear) that reproduced experimental race surface mechanical behaviors for incorporation in equine musculoskeletal models. Soil impact tests were simulated in a musculoskeletal modeling environment and compared to experimental force and displacement data collected during initial and repeat impacts at two racetracks with differing race surfaces - (i) dirt and (ii) synthetic. Best-fit model coefficients (7 total) were compared between surface types and initial and repeat impacts using a mixed model ANCOVA. Model simulation results closely matched empirical force, displacement and velocity data (Mean R(2)=0.930-0.997). Many model coefficients were statistically different between surface types and impacts. Principal component analysis of model coefficients showed systematic differences based on surface type and impact. In the future, the race surface model may be used in conjunction with previously developed the equine musculoskeletal models to understand the effects of race surface mechanical behaviors on limb dynamics, and determine race surface mechanical behaviors that reduce the incidence of racehorse musculoskeletal injury through modulation of limb dynamics. Copyright © 2015 Elsevier Ltd. All rights reserved.

Predictive model for ice formation on superhydrophobic surfaces.

PubMed

Bahadur, Vaibhav; Mishchenko, Lidiya; Hatton, Benjamin; Taylor, J Ashley; Aizenberg, Joanna; Krupenkin, Tom

2011-12-06

The prevention and control of ice accumulation has important applications in aviation, building construction, and energy conversion devices. One area of active research concerns the use of superhydrophobic surfaces for preventing ice formation. The present work develops a physics-based modeling framework to predict ice formation on cooled superhydrophobic surfaces resulting from the impact of supercooled water droplets. This modeling approach analyzes the multiple phenomena influencing ice formation on superhydrophobic surfaces through the development of submodels describing droplet impact dynamics, heat transfer, and heterogeneous ice nucleation. These models are then integrated together to achieve a comprehensive understanding of ice formation upon impact of liquid droplets at freezing conditions. The accuracy of this model is validated by its successful prediction of the experimental findings that demonstrate that superhydrophobic surfaces can fully prevent the freezing of impacting water droplets down to surface temperatures of as low as -20 to -25 °C. The model can be used to study the influence of surface morphology, surface chemistry, and fluid and thermal properties on dynamic ice formation and identify parameters critical to achieving icephobic surfaces. The framework of the present work is the first detailed modeling tool developed for the design and analysis of surfaces for various ice prevention/reduction strategies. © 2011 American Chemical Society

Large eddy simulation of a boundary layer with concave streamwise curvature

NASA Technical Reports Server (NTRS)

Lund, Thomas S.

1993-01-01

One of the most exciting recent developments in the field of large eddy simulation (LES) is the dynamic subgrid-scale model. The dynamic model concept is a general procedure for evaluating model constants by sampling a band of the smallest scales actually resolved in the simulation. To date, the procedure has been used primarily in conjunction with the Smagorinsky model. The dynamic procedure has the advantage that the value of the model constant need not be specified a priori, but rather is calculated as a function of space and time as the simulation progresses. This feature makes the dynamic model especially attractive for flows in complex geometries where it is difficult or impossible to calibrate model constants. The dynamic model was highly successful in benchmark tests involving homogeneous and channel flows. Having demonstrated the potential of the dynamic model in these simple flows, the overall direction of the LES effort at CTR shifted toward an evaluation of the model in more complex situations. The current test cases are basic engineering-type flows for which Reynolds averaged approaches were unable to model the turbulence to within engineering accuracy. Flows currently under investigation include a backward-facing step, wake behind a circular cylinder, airfoil at high angles of attack, separated flow in a diffuser, and boundary layer over a concave surface. Preliminary results from the backward-facing step and cylinder wake simulations are encouraging. Progress on the LES of a boundary layer on a concave surface is discussed. Although the geometry of a concave wall is not very complex, the boundary layer that develops on its surface is difficult to model due to the presence of streamwise Taylor-Gortler vortices. These vortices arise as a result of a centrifugal instability associated with the convex curvature.

SIMULATION OF SUMMER-TIME DIURNAL BACTERIAL DYNAMICS IN THE ATMOSPHERIC SURFACE LAYER

EPA Science Inventory

A model was prepared to simulate the observed concentration dynamics of culturable bacteria in the diurnal summer atmosphere at a Willamette River Valley, Oregon location. The meteorological and bacterial mechanisms included in a dynamic null-dimensional model with one-second tim...

Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site

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

Shen, Xiangjian; State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023; Zhang, Zhaojun, E-mail: zhangzhj@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn

2016-03-14

Understanding the role of reactant ro-vibrational degrees of freedom (DOFs) in reaction dynamics of polyatomic molecular dissociation on metal surfaces is of great importance to explore the complex chemical reaction mechanism. Here, we present an expensive quantum dynamics study of the dissociative chemisorption of CH{sub 4} on a rigid Ni(111) surface by developing an accurate nine-dimensional quantum dynamical model including the DOF of azimuth. Based on a highly accurate fifteen-dimensional potential energy surface built from first principles, our simulations elucidate that the dissociation probability of CH{sub 4} has the strong dependence on azimuth and surface impact site. Some improvements aremore » suggested to obtain the accurate dissociation probability from quantum dynamics simulations.« less

Collective effects of torsion in FtsZ filaments

NASA Astrophysics Data System (ADS)

González de Prado Salas, Pablo; Tarazona, Pedro

2016-04-01

Recent evidence points to the presence of torsion in FtsZ bonds. In addition, experiments with FtsZ mutants on surfaces resulted in new aggregates that cannot be explained by older models for FtsZ dynamics. We use an interaction model for FtsZ derived from molecular dynamics simulations and expand a fine-grained lattice model used to describe FtsZ aggregates on a surface. This new model includes different anchoring angles for the monomers and allows bond twist, two ingredients that oppose each other resulting in a more dynamic and interesting system. We study the role and importance of these conflicting elements and how the aggregates are characterized by the different interaction parameters.

An efficient approach to the analysis of rail surface irregularities accounting for dynamic train-track interaction and inelastic deformations

NASA Astrophysics Data System (ADS)

Andersson, Robin; Torstensson, Peter T.; Kabo, Elena; Larsson, Fredrik

2015-11-01

A two-dimensional computational model for assessment of rolling contact fatigue induced by discrete rail surface irregularities, especially in the context of so-called squats, is presented. Dynamic excitation in a wide frequency range is considered in computationally efficient time-domain simulations of high-frequency dynamic vehicle-track interaction accounting for transient non-Hertzian wheel-rail contact. Results from dynamic simulations are mapped onto a finite element model to resolve the cyclic, elastoplastic stress response in the rail. Ratcheting under multiple wheel passages is quantified. In addition, low cycle fatigue impact is quantified using the Jiang-Sehitoglu fatigue parameter. The functionality of the model is demonstrated by numerical examples.

Individual-Based Model of Microbial Life on Hydrated Rough Soil Surfaces

PubMed Central

Kim, Minsu; Or, Dani

2016-01-01

Microbial life in soil is perceived as one of the most interesting ecological systems, with microbial communities exhibiting remarkable adaptability to vast dynamic environmental conditions. At the same time, it is a notoriously challenging system to understand due to its complexity including physical, chemical, and biological factors in synchrony. This study presents a spatially-resolved model of microbial dynamics on idealised rough soil surfaces represented as patches with different (roughness) properties that preserve the salient hydration physics of real surfaces. Cell level microbial interactions are considered within an individual-based formulation including dispersion and various forms of trophic dependencies (competition, mutualism). The model provides new insights into mechanisms affecting microbial community dynamics and gives rise to spontaneous formation of microbial community spatial patterns. The framework is capable of representing many interacting species and provides diversity metrics reflecting surface conditions and their evolution over time. A key feature of the model is its spatial scalability that permits representation of microbial processes from cell-level (micro-metric scales) to soil representative volumes at sub-metre scales. Several illustrative examples of microbial trophic interactions and population dynamics highlight the potential of the proposed modelling framework to quantitatively study soil microbial processes. The model is highly applicable in a wide range spanning from quantifying spatial organisation of multiple species under various hydration conditions to predicting microbial diversity residing in different soils. PMID:26807803

Three-dimensional curved grid finite-difference modelling for non-planar rupture dynamics

NASA Astrophysics Data System (ADS)

Zhang, Zhenguo; Zhang, Wei; Chen, Xiaofei

2014-11-01

In this study, we present a new method for simulating the 3-D dynamic rupture process occurring on a non-planar fault. The method is based on the curved-grid finite-difference method (CG-FDM) proposed by Zhang & Chen and Zhang et al. to simulate the propagation of seismic waves in media with arbitrary irregular surface topography. While keeping the advantages of conventional FDM, that is computational efficiency and easy implementation, the CG-FDM also is flexible in modelling the complex fault model by using general curvilinear grids, and thus is able to model the rupture dynamics of a fault with complex geometry, such as oblique dipping fault, non-planar fault, fault with step-over, fault branching, even if irregular topography exists. The accuracy and robustness of this new method have been validated by comparing with the previous results of Day et al., and benchmarks for rupture dynamics simulations. Finally, two simulations of rupture dynamics with complex fault geometry, that is a non-planar fault and a fault rupturing a free surface with topography, are presented. A very interesting phenomenon was observed that topography can weaken the tendency for supershear transition to occur when rupture breaks out at a free surface. Undoubtedly, this new method provides an effective, at least an alternative, tool to simulate the rupture dynamics of a complex non-planar fault, and can be applied to model the rupture dynamics of a real earthquake with complex geometry.

An Isopycnal Box Model with predictive deep-ocean structure for biogeochemical cycling applications

NASA Astrophysics Data System (ADS)

Goodwin, Philip

2012-07-01

To simulate global ocean biogeochemical tracer budgets a model must accurately determine both the volume and surface origins of each water-mass. Water-mass volumes are dynamically linked to the ocean circulation in General Circulation Models, but at the cost of high computational load. In computationally efficient Box Models the water-mass volumes are simply prescribed and do not vary when the circulation transport rates or water mass densities are perturbed. A new computationally efficient Isopycnal Box Model is presented in which the sub-surface box volumes are internally calculated from the prescribed circulation using a diffusive conceptual model of the thermocline, in which upwelling of cold dense water is balanced by a downward diffusion of heat. The volumes of the sub-surface boxes are set so that the density stratification satisfies an assumed link between diapycnal diffusivity, κd, and buoyancy frequency, N: κd = c/(Nα), where c and α are user prescribed parameters. In contrast to conventional Box Models, the volumes of the sub-surface ocean boxes in the Isopycnal Box Model are dynamically linked to circulation, and automatically respond to circulation perturbations. This dynamical link allows an important facet of ocean biogeochemical cycling to be simulated in a highly computationally efficient model framework.

Effects of surface motion and electron-hole pair excitations in CO2 dissociation and scattering on Ni(100)

NASA Astrophysics Data System (ADS)

Luo, Xuan; Zhou, Xueyao; Jiang, Bin

2018-05-01

The energy transfer between different channels is an important aspect in chemical reactions at surfaces. We investigate here in detail the energy transfer dynamics in a prototypical system, i.e., reactive and nonreactive scattering of CO2 on Ni(100), which is related to heterogeneous catalytic processes with Ni-based catalysts for CO2 reduction. On the basis of our earlier nine-dimensional potential energy surface for CO2/Ni(100), dynamical calculations have been done using the generalized Langevin oscillator (GLO) model combined with local density friction approximation (LDFA), in which the former accounts for the surface motion and the latter accounts for the low-energy electron-hole pair (EHP) excitation. In spite of its simplicity, it is found that the GLO model yields quite satisfactory results, including the significant energy loss and product energy disposal, trapping, and steering dynamics, all of which agree well with the ab initio molecular dynamics ones where many surface atoms are explicitly involved with high computational cost. However, the GLO model fails to describe the reactivity enhancement due to the lattice motion because it intrinsically does not incorporate the variance of barrier height on the surface atom displacement. On the other hand, in LDFA, the energy transferred to EHPs is found to play a minor role and barely alter the dynamics, except for slightly reducing the dissociation probabilities. In addition, vibrational state-selected dissociative sticking probabilities are calculated and previously observed strong mode specificity is confirmed. Our work suggests that further improvement of the GLO model is needed to consider the lattice-induced barrier lowering.

Nonlinear dynamic model of a gear-rotor-bearing system considering the flash temperature

NASA Astrophysics Data System (ADS)

Gou, Xiangfeng; Zhu, Lingyun; Qi, Changjun

2017-12-01

The instantaneous flash temperature is an important factor for gears in service. To investigate the effect of the flash temperature of a tooth surface on the dynamics of the spur gear system, a modified nonlinear dynamic model of a gear-rotor-bearing system is established. The factors such as the contact temperature of the tooth surface, time-varying stiffness, tooth surface friction, backlash, the comprehensive transmission error and so on are considered. The flash temperature of a tooth surface of pinion and gear is formulated according to Blok's flash temperature theory. The mathematical expression of the contact temperature of the tooth surface varied with time is derived and the tooth profile deformation caused by the change of the flash temperature of the tooth surface is calculated. The expression of the mesh stiffness varied with the flash temperature of the tooth surface is derived based on Hertz contact theory. The temperature stiffness is proposed and added to the nonlinear dynamic model of the system. The influence of load on the flash temperature of the tooth surface is analyzed in the parameters plane. The variation of the flash temperature of the tooth surface is studied. The numerical results indicate that the calculated method of the flash temperature of the gear tooth surface is effective and it can reflect the rules for the change of gear meshing temperature and sliding of the gear tooth surface. The effects of frequency, backlash, bearing clearance, comprehensive transmission error and time-varying stiffness on the nonlinear dynamics of the system are analyzed according to the bifurcation diagrams, Top Lyapunov Exponent (TLE) spectrums, phase portraits and Poincaré maps. Some nonlinear phenomena such as periodic bifurcation, grazing bifurcation, quasi-periodic bifurcation, chaos and its routes to chaos are investigated and the critical parameters are identified. The results provide an understanding of the system and serve as a useful reference in designing such systems.

Multibody dynamic simulation of knee contact mechanics

PubMed Central

Bei, Yanhong; Fregly, Benjamin J.

2006-01-01

Multibody dynamic musculoskeletal models capable of predicting muscle forces and joint contact pressures simultaneously would be valuable for studying clinical issues related to knee joint degeneration and restoration. Current three-dimensional multi-body knee models are either quasi-static with deformable contact or dynamic with rigid contact. This study proposes a computationally efficient methodology for combining multibody dynamic simulation methods with a deformable contact knee model. The methodology requires preparation of the articular surface geometry, development of efficient methods to calculate distances between contact surfaces, implementation of an efficient contact solver that accounts for the unique characteristics of human joints, and specification of an application programming interface for integration with any multibody dynamic simulation environment. The current implementation accommodates natural or artificial tibiofemoral joint models, small or large strain contact models, and linear or nonlinear material models. Applications are presented for static analysis (via dynamic simulation) of a natural knee model created from MRI and CT data and dynamic simulation of an artificial knee model produced from manufacturer’s CAD data. Small and large strain natural knee static analyses required 1 min of CPU time and predicted similar contact conditions except for peak pressure, which was higher for the large strain model. Linear and nonlinear artificial knee dynamic simulations required 10 min of CPU time and predicted similar contact force and torque but different contact pressures, which were lower for the nonlinear model due to increased contact area. This methodology provides an important step toward the realization of dynamic musculoskeletal models that can predict in vivo knee joint motion and loading simultaneously. PMID:15564115

The Potsdam Parallel Ice Sheet Model (PISM-PIK) - Part 2: Dynamic equilibrium simulation of the Antarctic ice sheet

NASA Astrophysics Data System (ADS)

Martin, M. A.; Winkelmann, R.; Haseloff, M.; Albrecht, T.; Bueler, E.; Khroulev, C.; Levermann, A.

2010-08-01

We present a dynamic equilibrium simulation of the ice sheet-shelf system on Antarctica with the Potsdam Parallel Ice Sheet Model (PISM-PIK). The simulation is initialized with present-day conditions for topography and ice thickness and then run to steady state with constant present-day surface mass balance. Surface temperature and basal melt distribution are parameterized. Grounding lines and calving fronts are free to evolve, and their modeled equilibrium state is compared to observational data. A physically-motivated dynamic calving law based on horizontal spreading rates allows for realistic calving fronts for various types of shelves. Steady-state dynamics including surface velocity and ice flux are analyzed for whole Antarctica and the Ronne-Filchner and Ross ice shelf areas in particular. The results show that the different flow regimes in sheet and shelves, and the transition zone between them, are captured reasonably well, supporting the approach of superposition of SIA and SSA for the representation of fast motion of grounded ice. This approach also leads to a natural emergence of streams in this new 3-D marine ice sheet model.

MODELING THE INTERACTION OF AGROCHEMICALS WITH ENVIRONMENTAL SURFACES: PESTICIDES ON RUTILE AND ORGANO-RUTILE SURFACES

EPA Science Inventory

Non-bonded interactions between model pesticides and organo-mineral surfaces have been studied using molecular mechanical conformational calculations and molecular dynamics simulations. The minimum energy conformations and relative binding energies for the interaction of atrazine...

Combining surface reanalysis and remote sensing data for monitoring evapotranspiration

USGS Publications Warehouse

Marshall, M.; Tu, K.; Funk, C.; Michaelsen, J.; Williams, Pat; Williams, C.; Ardö, J.; Marie, B.; Cappelaere, B.; Grandcourt, A.; Nickless, A.; Noubellon, Y.; Scholes, R.; Kutsch, W.

2012-01-01

Climate change is expected to have the greatest impact on the world's poor. In the Sahel, a climatically sensitive region where rain-fed agriculture is the primary livelihood, expected decreases in water supply will increase food insecurity. Studies on climate change and the intensification of the water cycle in sub-Saharan Africa are few. This is due in part to poor calibration of modeled actual evapotranspiration (AET), a key input in continental-scale hydrologic models. In this study, a model driven by dynamic canopy AET was combined with the Global Land Data Assimilation System realization of the NOAH Land Surface Model (GNOAH) wet canopy and soil AET for monitoring purposes in sub-Saharan Africa. The performance of the hybrid model was compared against AET from the GNOAH model and dynamic model using eight eddy flux towers representing major biomes of sub-Saharan Africa. The greatest improvements in model performance are at humid sites with dense vegetation, while performance at semi-arid sites is poor, but better than individual models. The reduction in errors using the hybrid model can be attributed to the integration of a dynamic vegetation component with land surface model estimates, improved model parameterization, and reduction of multiplicative effects of uncertain data.

Dynamic slip of polydisperse linear polymers using partitioned plate

NASA Astrophysics Data System (ADS)

Ebrahimi, Marzieh; Konaganti, Vinod Kumar; Hatzikiriakos, Savvas G.

2018-03-01

The slip velocity of an industrial grade high molecular weight high-density polyethylene (HDPE) is studied in steady and dynamic shear experiments using a stress/strain controlled rotational rheometer equipped with a parallel partitioned plate geometry. Moreover, fluoroalkyl silane-based coating is used to understand the effect of surface energy on slip in steady and dynamic conditions. The multimode integral Kaye-Bernstein-Kearsley-Zapas constitutive model is applied to predict the transient shear response of the HDPE melt obtained from rotational rheometer. It is found that a dynamic slip model with a slip relaxation time is needed to adequately predict the experimental data at large shear deformations. Comparison of the results before and after coating shows that the slip velocity is largely affected by surface energy. Decreasing surface energy by coating increases slip velocity and decreases the slip relaxation time.

Applying Parallel Adaptive Methods with GeoFEST/PYRAMID to Simulate Earth Surface Crustal Dynamics

NASA Technical Reports Server (NTRS)

Norton, Charles D.; Lyzenga, Greg; Parker, Jay; Glasscoe, Margaret; Donnellan, Andrea; Li, Peggy

2006-01-01

This viewgraph presentation reviews the use Adaptive Mesh Refinement (AMR) in simulating the Crustal Dynamics of Earth's Surface. AMR simultaneously improves solution quality, time to solution, and computer memory requirements when compared to generating/running on a globally fine mesh. The use of AMR in simulating the dynamics of the Earth's Surface is spurred by future proposed NASA missions, such as InSAR for Earth surface deformation and other measurements. These missions will require support for large-scale adaptive numerical methods using AMR to model observations. AMR was chosen because it has been successful in computation fluid dynamics for predictive simulation of complex flows around complex structures.

New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach

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

Shakib, Farnaz A.; Hanna, Gabriel, E-mail: gabriel.hanna@ualberta.ca

In a previous study [F. A. Shakib and G. Hanna, J. Chem. Phys. 141, 044122 (2014)], we investigated a model proton-coupled electron transfer (PCET) reaction via the mixed quantum-classical Liouville (MQCL) approach and found that the trajectories spend the majority of their time on the mean of two coherently coupled adiabatic potential energy surfaces. This suggested a need for mean surface evolution to accurately simulate observables related to ultrafast PCET processes. In this study, we simulate the time-dependent populations of the three lowest adiabatic states in the ET-PT (i.e., electron transfer preceding proton transfer) version of the same PCET modelmore » via the MQCL approach and compare them to the exact quantum results and those obtained via the fewest switches surface hopping (FSSH) approach. We find that the MQCL population profiles are in good agreement with the exact quantum results and show a significant improvement over the FSSH results. All of the mean surfaces are shown to play a direct role in the dynamics of the state populations. Interestingly, our results indicate that the population transfer to the second-excited state can be mediated by dynamics on the mean of the ground and second-excited state surfaces, as part of a sequence of nonadiabatic transitions that bypasses the first-excited state surface altogether. This is made possible through nonadiabatic transitions between different mean surfaces, which is the manifestation of coherence transfer in MQCL dynamics. We also investigate the effect of the strength of the coupling between the proton/electron and the solvent coordinate on the state population dynamics. Drastic changes in the population dynamics are observed, which can be understood in terms of the changes in the potential energy surfaces and the nonadiabatic couplings. Finally, we investigate the state population dynamics in the PT-ET (i.e., proton transfer preceding electron transfer) and concerted versions of the model. The PT-ET results confirm the participation of all of the mean surfaces, albeit in different proportions compared to the ET-PT case, while the concerted results indicate that the mean of the ground- and first-excited state surfaces only plays a role, due to the large energy gaps between the ground- and second-excited state surfaces.« less

Study on a Dynamic Vegetation Model for Simulating Land Surface Flux Exchanges at Lien-Hua-Chih Flux Observation Site in Taiwan

NASA Astrophysics Data System (ADS)

Yeh, T. Y.; Li, M. H.; Chen, Y. Y.; Ryder, J.; McGrath, M.; Otto, J.; Naudts, K.; Luyssaert, S.; MacBean, N.; Bastrikov, V.

2016-12-01

Dynamic vegetation model ORCHIDEE (Organizing Carbon and Hydrology In Dynamic EcosystEms) is a state of art land surface component of the IPSL (Institute Pierre Simon Laplace) Earth System Model. It has been used world-wide to investigate variations of water, carbon, and energy exchanges between the land surface and the atmosphere. In this study we assessed the applicability of using ORCHIDEE-CAN, a new feature with 3-D CANopy structure (Naudts et al., 2015; Ryder et al., 2016), to simulate surface fluxes measured at tower-based eddy covariance fluxes at the Lien-Hua-Chih experimental watershed in Taiwan. The atmospheric forcing including radiation, air temperature, wind speed, and the dynamics of vertical canopy structure for driving the model were obtained from the observations site. Suitable combinations of default plant function types were examined to meet in-situ observations of soil moisture and leaf area index from 2009 to 2013. The simulated top layer soil moisture was ranging from 0.1 to 0.4 and total leaf area was ranging from 2.2 to 4.4, respectively. A sensitivity analysis was performed to investigate the sensitive of model parameters and model skills of ORCHIDEE-CAN on capturing seasonal variations of surface fluxes. The most sensitive parameters were suggested and calibrated by an automatic data assimilation tool ORCHDAS (ORCHIDEE Data Assimilation Systems; http://orchidas.lsce.ipsl.fr/). Latent heat, sensible heat, and carbon fluxes simulated by the model were compared with long-term observations at the site. ORCHIDEE-CAN by making use of calibrated surface parameters was used to study variations of land-atmosphere interactions on a variety of temporal scale in associations with changes in both land and atmospheric conditions. Ref: Naudts, K., et al.,: A vertically discretised canopy description for ORCHIDEE (SVN r2290) and the modifications to the energy, water and carbon fluxes, Geoscientific Model Development, 8, 2035-2065, doi:10.5194/gmd-8-2035-2015,2015. Ryder, J., et al. : A multi-layer land surface energy budget model for implicit coupling with global atmospheric simulations, Geoscientific Model Development, 9, 223-245, doi:10.5194/gmd-9-223-2016, 2016.

Modelling and investigation of partial wetting surfaces for drop dynamics using lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Pravinraj, T.; Patrikar, Rajendra

2017-07-01

Partial wetting surfaces and its influence on the droplet movement of micro and nano scale being contemplated for many useful applications. The dynamics of the droplet usually analyzed with a multiphase lattice Boltzmann method (LBM). In this paper, the influence of partial wetting surface on the dynamics of droplet is systematically analyzed for various cases. Splitting of droplets due to chemical gradient of the surface is studied and analyses of splitting time for various widths of the strips for different Weber numbers are computed. With the proposed model one can tune the splitting volume and time by carefully choosing a strip width and droplet position. The droplet spreading on chemically heterogeneous surfaces shows that the spreading can be controlled not only by parameters of Weber number but also by tuning strip width ratio. The transportation of the droplet from hydrophobic surface to hydrophilic surface due to chemical gradient is simulated and analyzed using our hybrid thermodynamic-image processing technique. The results prove that with the progress of time the surface free energy decreases with increase in spreading area. Finally, the transportation of a droplet on microstructure gradient is demonstrated. The model explains the temporal behaviour of droplet during the spreading, recoiling and translation along with tracking of contact angle hysteresis phenomenon.

Dynamic properties of interfaces in soft matter: Experiments and theory

NASA Astrophysics Data System (ADS)

Sagis, Leonard M. C.

2011-10-01

The dynamic properties of interfaces often play a crucial role in the macroscopic dynamics of multiphase soft condensed matter systems. These properties affect the dynamics of emulsions, of dispersions of vesicles, of biological fluids, of coatings, of free surface flows, of immiscible polymer blends, and of many other complex systems. The study of interfacial dynamic properties, surface rheology, is therefore a relevant discipline for many branches of physics, chemistry, engineering, and life sciences. In the past three to four decades a vast amount of literature has been produced dealing with the rheological properties of interfaces stabilized by low molecular weight surfactants, proteins, (bio)polymers, lipids, colloidal particles, and various mixtures of these surface active components. In this paper recent experiments are reviewed in the field of surface rheology, with particular emphasis on the models used to analyze surface rheological data. Most of the models currently used are straightforward generalizations of models developed for the analysis of rheological data of bulk phases. In general the limits on the validity of these generalizations are not discussed. Not much use is being made of recent advances in nonequilibrium thermodynamic formalisms for multiphase systems, to construct admissible models for the stress-deformation behavior of interfaces. These formalisms are ideally suited to construct thermodynamically admissible constitutive equations for rheological behavior that include the often relevant couplings to other fluxes in the interface (heat and mass), and couplings to the transfer of mass from the bulk phase to the interface. In this review recent advances in the application of classical irreversible thermodynamics, extended irreversible thermodynamics, rational thermodynamics, extended rational thermodynamics, and the general equation for the nonequilibrium reversible-irreversible coupling formalism to multiphase systems are also discussed, and shown how these formalisms can be used to generate a wide range of thermodynamically admissible constitutive models for the surface stress tensor. Some of the generalizations currently in use are shown to have only limited validity. The aim of this review is to stimulate new developments in the fields of experimental surface rheology and constitutive modeling of multiphase systems using nonequilibrium thermodynamic formalisms and to promote a closer integration of these disciplines.

How well-connected is the surface of the global ocean?

PubMed

Froyland, Gary; Stuart, Robyn M; van Sebille, Erik

2014-09-01

The Ekman dynamics of the ocean surface circulation is known to contain attracting regions such as the great oceanic gyres and the associated garbage patches. Less well-known are the extents of the basins of attractions of these regions and how strongly attracting they are. Understanding the shape and extent of the basins of attraction sheds light on the question of the strength of connectivity of different regions of the ocean, which helps in understanding the flow of buoyant material like plastic litter. Using short flow time trajectory data from a global ocean model, we create a Markov chain model of the surface ocean dynamics. The surface ocean is not a conservative dynamical system as water in the ocean follows three-dimensional pathways, with upwelling and downwelling in certain regions. Using our Markov chain model, we easily compute net surface upwelling and downwelling, and verify that it matches observed patterns of upwelling and downwelling in the real ocean. We analyze the Markov chain to determine multiple attracting regions. Finally, using an eigenvector approach, we (i) identify the five major ocean garbage patches, (ii) partition the ocean into basins of attraction for each of the garbage patches, and (iii) partition the ocean into regions that demonstrate transient dynamics modulo the attracting garbage patches.

Inferring Ice Thickness from a Glacier Dynamics Model and Multiple Surface Datasets.

NASA Astrophysics Data System (ADS)

Guan, Y.; Haran, M.; Pollard, D.

2017-12-01

The future behavior of the West Antarctic Ice Sheet (WAIS) may have a major impact on future climate. For instance, ice sheet melt may contribute significantly to global sea level rise. Understanding the current state of WAIS is therefore of great interest. WAIS is drained by fast-flowing glaciers which are major contributors to ice loss. Hence, understanding the stability and dynamics of glaciers is critical for predicting the future of the ice sheet. Glacier dynamics are driven by the interplay between the topography, temperature and basal conditions beneath the ice. A glacier dynamics model describes the interactions between these processes. We develop a hierarchical Bayesian model that integrates multiple ice sheet surface data sets with a glacier dynamics model. Our approach allows us to (1) infer important parameters describing the glacier dynamics, (2) learn about ice sheet thickness, and (3) account for errors in the observations and the model. Because we have relatively dense and accurate ice thickness data from the Thwaites Glacier in West Antarctica, we use these data to validate the proposed approach. The long-term goal of this work is to have a general model that may be used to study multiple glaciers in the Antarctic.

Groundwater–surface water mixing shifts ecological assembly processes and stimulates organic carbon turnover

DOE PAGES

Stegen, James C.; Fredrickson, James K.; Wilkins, Michael J.; ...

2016-04-07

Environmental transition zones are associated with geochemical gradients that overcome energy limitations to microbial metabolism, resulting in biogeochemical hot spots and moments. Riverine systems where groundwater mixes with surface water (the hyporheic zone) are spatially complex and temporally dynamic, making development of predictive models challenging. Spatial and temporal variations in hyporheic zone microbial communities are a key, but understudied, component of riverine biogeochemical function. To investigate the coupling among groundwater-surface water mixing, microbial communities, and biogeochemistry we applied ecological theory, aqueous biogeochemistry, DNA sequencing, and ultra-high resolution organic carbon profiling to field samples collected across times and locations representing amore » broad range of mixing conditions. Mixing of groundwater and surface water resulted in a shift from transport-driven stochastic dynamics to a deterministic microbial structure associated with elevated biogeochemical rates. While the dynamics of the hyporheic make predictive modeling a challenge, we provide new knowledge that can improve the tractability of such models.« less

Fibronectin module FN(III)9 adsorption at contrasting solid model surfaces studied by atomistic molecular dynamics.

PubMed

Kubiak-Ossowska, Karina; Mulheran, Paul A; Nowak, Wieslaw

2014-08-21

The mechanism of human fibronectin adhesion synergy region (known as integrin binding region) in repeat 9 (FN(III)9) domain adsorption at pH 7 onto various and contrasting model surfaces has been studied using atomistic molecular dynamics simulations. We use an ionic model to mimic mica surface charge density but without a long-range electric field above the surface, a silica model with a long-range electric field similar to that found experimentally, and an Au {111} model with no partial charges or electric field. A detailed description of the adsorption processes and the contrasts between the various model surfaces is provided. In the case of our model silica surface with a long-range electrostatic field, the adsorption is rapid and primarily driven by electrostatics. Because it is negatively charged (-1e), FN(III)9 readily adsorbs to a positively charged surface. However, due to its partial charge distribution, FN(III)9 can also adsorb to the negatively charged mica model because of the absence of a long-range repulsive electric field. The protein dipole moment dictates its contrasting orientation at these surfaces, and the anchoring residues have opposite charges to the surface. Adsorption on the model Au {111} surface is possible, but less specific, and various protein regions might be involved in the interactions with the surface. Despite strongly influencing the protein mobility, adsorption at these model surfaces does not require wholesale FN(III)9 conformational changes, which suggests that the biological activity of the adsorbed protein might be preserved.

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

PubMed

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.

Predictive Finite Rate Model for Oxygen-Carbon Interactions at High Temperature

NASA Astrophysics Data System (ADS)

Poovathingal, Savio

An oxidation model for carbon surfaces is developed to predict ablation rates for carbon heat shields used in hypersonic vehicles. Unlike existing empirical models, the approach used here was to probe gas-surface interactions individually and then based on an understanding of the relevant fundamental processes, build a predictive model that would be accurate over a wide range of pressures and temperatures, and even microstructures. Initially, molecular dynamics was used to understand the oxidation processes on the surface. The molecular dynamics simulations were compared to molecular beam experiments and good qualitative agreement was observed. The simulations reproduced cylindrical pitting observed in the experiments where oxidation was rapid and primarily occurred around a defect. However, the studies were limited to small systems at low temperatures and could simulate time scales only of the order of nanoseconds. Molecular beam experiments at high surface temperature indicated that a majority of surface reaction products were produced through thermal mechanisms. Since the reactions were thermal, they occurred over long time scales which were computationally prohibitive for molecular dynamics to simulate. The experiments provided detailed dynamical data on the scattering of O, O2, CO, and CO2 and it was found that the data from molecular beam experiments could be used directly to build a model. The data was initially used to deduce surface reaction probabilities at 800 K. The reaction probabilities were then incorporated into the direct simulation Monte Carlo (DSMC) method. Simulations were performed where the microstructure was resolved and dissociated oxygen convected and diffused towards it. For a gas-surface temperature of 800 K, it was found that despite CO being the dominant surface reaction product, a gas-phase reaction forms significant CO2 within the microstructure region. It was also found that surface area did not play any role in concentration of reaction products because the reaction probabilities were in the diffusion dominant regime. The molecular beam data at different surface temperatures was then used to build a finite rate model. Each reaction mechanism and all rate parameters of the new model were determined individually based on the molecular beam data. Despite the experiments being performed at near vacuum conditions, the finite rate model developed using the data could be used at pressures and temperatures relevant to hypersonic conditions. The new model was implemented in a computational fluid dynamics (CFD) solver and flow over a hypersonic vehicle was simulated. The new model predicted similar overall mass loss rates compared to existing models, however, the individual species production rates were completely different. The most notable difference was that the new model (based on molecular beam data) predicts CO as the oxidation reaction product with virtually no CO2 production, whereas existing models predict the exact opposite trend. CO being the dominant oxidation product is consistent with recent high enthalpy wind tunnel experiments. The discovery that measurements taken in molecular beam facilities are able to determine individual reaction mechanisms, including dependence on surface coverage, opens up an entirely new way of constructing ablation models.

Characterizing heterogeneous dynamics at hydrated electrode surfaces.

PubMed

Willard, Adam P; Limmer, David T; Madden, Paul A; Chandler, David

2013-05-14

In models of Pt 111 and Pt 100 surfaces in water, motions of molecules in the first hydration layer are spatially and temporally correlated. To interpret these collective motions, we apply quantitative measures of dynamic heterogeneity that are standard tools for considering glassy systems. Specifically, we carry out an analysis in terms of mobility fields and distributions of persistence times and exchange times. In so doing, we show that dynamics in these systems is facilitated by transient disorder in frustrated two-dimensional hydrogen bonding networks. The frustration is the result of unfavorable geometry imposed by strong metal-water bonding. The geometry depends upon the structure of the underlying metal surface. Dynamic heterogeneity of water on the Pt 111 surface is therefore qualitatively different than that for water on the Pt 100 surface. In both cases, statistics of this ad-layer dynamic heterogeneity responds asymmetrically to applied voltage.

Characterizing heterogeneous dynamics at hydrated electrode surfaces

NASA Astrophysics Data System (ADS)

Willard, Adam P.; Limmer, David T.; Madden, Paul A.; Chandler, David

2013-05-01

In models of Pt 111 and Pt 100 surfaces in water, motions of molecules in the first hydration layer are spatially and temporally correlated. To interpret these collective motions, we apply quantitative measures of dynamic heterogeneity that are standard tools for considering glassy systems. Specifically, we carry out an analysis in terms of mobility fields and distributions of persistence times and exchange times. In so doing, we show that dynamics in these systems is facilitated by transient disorder in frustrated two-dimensional hydrogen bonding networks. The frustration is the result of unfavorable geometry imposed by strong metal-water bonding. The geometry depends upon the structure of the underlying metal surface. Dynamic heterogeneity of water on the Pt 111 surface is therefore qualitatively different than that for water on the Pt 100 surface. In both cases, statistics of this ad-layer dynamic heterogeneity responds asymmetrically to applied voltage.

The Influence of Dynamic Contact Angle on Wetting Dynamics

NASA Technical Reports Server (NTRS)

Rame, Enrique; Garoff, Steven

2005-01-01

When surface tension forces dominate, and regardless of whether the situation is static or dynamic, the contact angle (the angle the interface between two immiscible fluids makes when it contacts a solid) is the key parameter that determines the shape of a fluid-fluid interface. The static contact angle is easy to measure and implement in models predicting static capillary surface shapes and such associated quantities as pressure drops. By contrast, when the interface moves relative to the solid (as in dynamic wetting processes) the dynamic contact angle is not identified unambiguously because it depends on the geometry of the system Consequently, its determination becomes problematic and measurements in one geometry cannot be applied in another for prediction purposes. However, knowing how to measure and use the dynamic contact angle is crucial to determine such dynamics as a microsystem throughput reliably. In this talk we will present experimental and analytical efforts aimed at resolving modeling issues present in dynamic wetting. We will review experiments that show the inadequacy of the usual hydrodynamic model when a fluid-fluid meniscus moves over a solid surface such as the wall of a small tube or duct. We will then present analytical results that show how to parametrize these problems in a predictive manner. We will illustrate these ideas by showing how to implement the method in numerical fluid mechanical calculations.

Numerical modelling of surface waves generated by low frequency electromagnetic field for silicon refinement process

NASA Astrophysics Data System (ADS)

Geža, V.; Venčels, J.; Zāģeris, Ģ.; Pavlovs, S.

2018-05-01

One of the most perspective methods to produce SoG-Si is refinement via metallurgical route. The most critical part of this route is refinement from boron and phosphorus, therefore, approach under development will address this problem. An approach of creating surface waves on silicon melt’s surface is proposed in order to enlarge its area and accelerate removal of boron via chemical reactions and evaporation of phosphorus. A two dimensional numerical model is created which include coupling of electromagnetic and fluid dynamic simulations with free surface dynamics. First results show behaviour similar to experimental results from literature.

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

PubMed

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.

Robust passive dynamics of the musculoskeletal system compensate for unexpected surface changes during human hopping

PubMed Central

van der Krogt, Marjolein M.; de Graaf, Wendy W.; Farley, Claire T.; Moritz, Chet T.; Richard Casius, L. J.; Bobbert, Maarten F.

2009-01-01

When human hoppers are surprised by a change in surface stiffness, they adapt almost instantly by changing leg stiffness, implying that neural feedback is not necessary. The goal of this simulation study was first to investigate whether leg stiffness can change without neural control adjustment when landing on an unexpected hard or unexpected compliant (soft) surface, and second to determine what underlying mechanisms are responsible for this change in leg stiffness. The muscle stimulation pattern of a forward dynamic musculoskeletal model was optimized to make the model match experimental hopping kinematics on hard and soft surfaces. Next, only surface stiffness was changed to determine how the mechanical interaction of the musculoskeletal model with the unexpected surface affected leg stiffness. It was found that leg stiffness adapted passively to both unexpected surfaces. On the unexpected hard surface, leg stiffness was lower than on the soft surface, resulting in close-to-normal center of mass displacement. This reduction in leg stiffness was a result of reduced joint stiffness caused by lower effective muscle stiffness. Faster flexion of the joints due to the interaction with the hard surface led to larger changes in muscle length, while the prescribed increase in active state and resulting muscle force remained nearly constant in time. Opposite effects were found on the unexpected soft surface, demonstrating the bidirectional stabilizing properties of passive dynamics. These passive adaptations to unexpected surfaces may be critical when negotiating disturbances during locomotion across variable terrain. PMID:19589956

Modeling and Testing of Phase Transition-Based Deployable Systems for Small Body Sample Capture

NASA Technical Reports Server (NTRS)

Quadrelli, Marco; Backes, Paul; Wilkie, Keats; Giersch, Lou; Quijano, Ubaldo; Keim, Jason; Mukherjee, Rudranarayan

2009-01-01

This paper summarizes the modeling, simulation, and testing work related to the development of technology to investigate the potential that shape memory actuation has to provide mechanically simple and affordable solutions for delivering assets to a surface and for sample capture and return. We investigate the structural dynamics and controllability aspects of an adaptive beam carrying an end-effector which, by changing equilibrium phases is able to actively decouple the end-effector dynamics from the spacecraft dynamics during the surface contact phase. Asset delivery and sample capture and return are at the heart of several emerging potential missions to small bodies, such as asteroids and comets, and to the surface of large bodies, such as Titan.

On the physically based modeling of surface tension and moving contact lines with dynamic contact angles on the continuum scale

NASA Astrophysics Data System (ADS)

Huber, M.; Keller, F.; Säckel, W.; Hirschler, M.; Kunz, P.; Hassanizadeh, S. M.; Nieken, U.

2016-04-01

The description of wetting phenomena is a challenging problem on every considerable length-scale. The behavior of interfaces and contact lines on the continuum scale is caused by intermolecular interactions like the Van der Waals forces. Therefore, to describe surface tension and the resulting dynamics of interfaces and contact lines on the continuum scale, appropriate formulations must be developed. While the Continuum Surface Force (CSF) model is well-engineered for the description of interfaces, there is still a lack of treatment of contact lines, which are defined by the intersection of an ending fluid interface and a solid boundary surface. In our approach we use a balance equation for the contact line and extend the Navier-Stokes equations in analogy to the extension of a two-phase interface in the CSF model. Since this model depicts a physically motivated approach on the continuum scale, no fitting parameters are introduced and the deterministic description leads to a dynamical evolution of the system. As verification of our theory, we show a Smoothed Particle Hydrodynamics (SPH) model and simulate the evolution of droplet shapes and their corresponding contact angles.

The influence of subsurface hydrodynamics on convective precipitation

NASA Astrophysics Data System (ADS)

Rahman, A. S. M. M.; Sulis, M.; Kollet, S. J.

2014-12-01

The terrestrial hydrological cycle comprises complex processes in the subsurface, land surface, and atmosphere, which are connected via complex non-linear feedback mechanisms. The influence of subsurface hydrodynamics on land surface mass and energy fluxes has been the subject of previous studies. Several studies have also investigated the soil moisture-precipitation feedback, neglecting however the connection with groundwater dynamics. The objective of this study is to examine the impact of subsurface hydrodynamics on convective precipitation events via shallow soil moisture and land surface processes. A scale-consistent Terrestrial System Modeling Platform (TerrSysMP) that consists of an atmospheric model (COSMO), a land surface model (CLM), and a three-dimensional variably saturated groundwater-surface water flow model (ParFlow), is used to simulate hourly mass and energy fluxes over days with convective rainfall events over the Rur catchment, Germany. In order to isolate the effect of groundwater dynamics on convective precipitation, two different model configurations with identical initial conditions are considered. The first configuration allows the groundwater table to evolve through time, while a spatially distributed, temporally constant groundwater table is prescribed as a lower boundary condition in the second configuration. The simulation results suggest that groundwater dynamics influence land surface soil moisture, which in turn affects the atmospheric boundary layer (ABL) height by modifying atmospheric thermals. It is demonstrated that because of this sensitivity of ABL height to soil moisture-temperature feedback, the onset and magnitude of convective precipitation is influenced by subsurface hydrodynamics. Thus, the results provide insight into the soil moisture-precipitation feedback including groundwater dynamics in a physically consistent manner by closing the water cycle from aquifers to the atmosphere.

The Static and Dynamic Rotary Stability Derivatives at Subsonic Speeds of an Airplane Model Having Wing and Tail Surfaces Swept Back 45 degrees

NASA Technical Reports Server (NTRS)

Lopez, Armando E.; Buell, Donald A.; Tinling, Bruce E.

1959-01-01

Wind-tunnel measurements were made of the static and dynamic rotary stability derivatives of an airplane model having sweptback wing and tail surfaces. The Mach number range of the tests was from 0.23 to 0.94. The components of the model were tested in various combinations so that the separate contribution to the stability derivatives of the component parts and the interference effects could be determined. Estimates of the dynamic rotary derivatives based on some of the simpler existing procedures which utilize static force data were found to be in reasonable agreement with the experimental results at low angles of attack. The results of the static and dynamic measurements were used to compute the short-period oscillatory characteristics of an airplane geometrically similar to the test model. The results of these calculations are compared with military flying qualities requirements.

Modeling thermal dynamics of active layer soils and near-surface permafrost using a fully coupled water and heat transport model

USGS Publications Warehouse

Jiang, Yueyang; Zhuang, Qianlai; O'Donnell, Jonathan A.

2012-01-01

Thawing and freezing processes are key components in permafrost dynamics, and these processes play an important role in regulating the hydrological and carbon cycles in the northern high latitudes. In the present study, we apply a well-developed soil thermal model that fully couples heat and water transport, to simulate the thawing and freezing processes at daily time steps across multiple sites that vary with vegetation cover, disturbance history, and climate. The model performance was evaluated by comparing modeled and measured soil temperatures at different depths. We use the model to explore the influence of climate, fire disturbance, and topography (north- and south-facing slopes) on soil thermal dynamics. Modeled soil temperatures agree well with measured values for both boreal forest and tundra ecosystems at the site level. Combustion of organic-soil horizons during wildfire alters the surface energy balance and increases the downward heat flux through the soil profile, resulting in the warming and thawing of near-surface permafrost. A projection of 21st century permafrost dynamics indicates that as the climate warms, active layer thickness will likely increase to more than 3 meters in the boreal forest site and deeper than one meter in the tundra site. Results from this coupled heat-water modeling approach represent faster thaw rates than previously simulated in other studies. We conclude that the discussed soil thermal model is able to well simulate the permafrost dynamics and could be used as a tool to analyze the influence of climate change and wildfire disturbance on permafrost thawing.

Surface Adsorption in Nonpolarizable Atomic Models.

PubMed

Whitmer, Jonathan K; Joshi, Abhijeet A; Carlton, Rebecca J; Abbott, Nicholas L; de Pablo, Juan J

2014-12-09

Many ionic solutions exhibit species-dependent properties, including surface tension and the salting-out of proteins. These effects may be loosely quantified in terms of the Hofmeister series, first identified in the context of protein solubility. Here, our interest is to develop atomistic models capable of capturing Hofmeister effects rigorously. Importantly, we aim to capture this dependence in computationally cheap "hard" ionic models, which do not exhibit dynamic polarization. To do this, we have performed an investigation detailing the effects of the water model on these properties. Though incredibly important, the role of water models in simulation of ionic solutions and biological systems is essentially unexplored. We quantify this via the ion-dependent surface attraction of the halide series (Cl, Br, I) and, in so doing, determine the relative importance of various hypothesized contributions to ionic surface free energies. Importantly, we demonstrate surface adsorption can result in hard ionic models combined with a thermodynamically accurate representation of the water molecule (TIP4Q). The effect observed in simulations of iodide is commensurate with previous calculations of the surface potential of mean force in rigid molecular dynamics and polarizable density-functional models. Our calculations are direct simulation evidence of the subtle but sensitive role of water thermodynamics in atomistic simulations.

Modeling Oblique Impact Dynamics of Particle-Laden Nanodroplets

NASA Astrophysics Data System (ADS)

Yong, Xin; Qin, Shiyi

2016-11-01

A fundamental understanding of the impact dynamics of nanoscopic droplets laden with nanoparticles has important implications for materials printing and thin film processing. Using many-body dissipative particle dynamics (MDPD), we model nanometer sized suspension droplets imping on dry solid substrate with oblique angles, and compare their behavior with pure liquid droplets. Equilibrated floating droplets containing two types of nanoparticles, namely fully-wetted hydrophilic particles and surface-active Janus particles, impact onto the solid surface with varying initial velocities and impact angles. The velocity components in the normal and tangential directions to the substrate defines normal and tangential Reynolds and Weber numbers, which are used to classify impact regimes. Droplets with nanoparticles dispersed in the bulk and covering the droplet surface (resembling liquid marbles) exhibit quite different behavior in the course of impact. We also reveal the influences of substrate wettability and its interaction with nanoparticles on the impact dynamics. In addition, the vapor film beneath an impinging droplet shows no significant effect on the impact dynamics in our MDPD simulations.

Self-Assembled Magnetic Surface Swimmers: Theoretical Model

NASA Astrophysics Data System (ADS)

Aranson, Igor; Belkin, Maxim; Snezhko, Alexey

2009-03-01

The mechanisms of self-propulsion of living microorganisms are a fascinating phenomenon attracting enormous attention in the physics community. A new type of self-assembled micro-swimmers, magnetic snakes, is an excellent tool to model locomotion in a simple table-top experiment. The snakes self-assemble from a dispersion of magnetic microparticles suspended on the liquid-air interface and subjected to an alternating magnetic field. Formation and dynamics of these swimmers are captured in the framework of theoretical model coupling paradigm equation for the amplitude of surface waves, conservation law for the density of particles, and the Navier-Stokes equation for hydrodynamic flows. The results of continuum modeling are supported by hybrid molecular dynamics simulations of magnetic particles floating on the surface of fluid.

Computer Simulation of the Forces Acting on a Submerged Polystyrene Probe as it Approaches the Succinonitrile Melt-Solid Interface

NASA Technical Reports Server (NTRS)

Bune, Andris V.; Kaukler, William; Whitaker, Ann (Technical Monitor)

2001-01-01

A Modeling approach to simulate both mesoscale and microscopic forces acting in a typical AFM experiment is presented. A mesoscale level interaction between the cantilever tip and the sample surface is primarily described by the balance of attractive Van der Waals and repulsive forces. Ultimately, the goal is to measure the forces between a particle and the crystal-melt interface. Two modes of AFM operation are considered in this paper - a stationary and a "tapping" one. The continuous mechanics approach to model tip-surface interaction is presented. At microscopic levels, tip contamination and details of tip-surface interaction are modeled using a molecular dynamics approach for the case of polystyrene - succinonitrile contact. Integration of the mesoscale model with a molecular dynamic model is discussed.

Femtosecond-laser induced dynamics of CO on Ru(0001): Deep insights from a hot-electron friction model including surface motion

NASA Astrophysics Data System (ADS)

Scholz, Robert; Floß, Gereon; Saalfrank, Peter; Füchsel, Gernot; Lončarić, Ivor; Juaristi, J. I.

2016-10-01

A Langevin model accounting for all six molecular degrees of freedom is applied to femtosecond-laser induced, hot-electron driven dynamics of Ru(0001)(2 ×2 ):CO. In our molecular dynamics with electronic friction approach, a recently developed potential energy surface based on gradient-corrected density functional theory accounting for van der Waals interactions is adopted. Electronic friction due to the coupling of molecular degrees of freedom to electron-hole pairs in the metal are included via a local density friction approximation, and surface phonons by a generalized Langevin oscillator model. The action of ultrashort laser pulses enters through a substrate-mediated, hot-electron mechanism via a time-dependent electronic temperature (derived from a two-temperature model), causing random forces acting on the molecule. The model is applied to laser induced lateral diffusion of CO on the surface, "hot adsorbate" formation, and laser induced desorption. Reaction probabilities are strongly enhanced compared to purely thermal processes, both for diffusion and desorption. Reaction yields depend in a characteristic (nonlinear) fashion on the applied laser fluence, as well as branching ratios for various reaction channels. Computed two-pulse correlation traces for desorption and other indicators suggest that aside from electron-hole pairs, phonons play a non-negligible role for laser induced dynamics in this system, acting on a surprisingly short time scale. Our simulations on precomputed potentials allow for good statistics and the treatment of long-time dynamics (300 ps), giving insight into this system which hitherto has not been reached. We find generally good agreement with experimental data where available and make predictions in addition. A recently proposed laser induced population of physisorbed precursor states could not be observed with the present low-coverage model.

Dynamics of two-dimensional monolayer water confined in hydrophobic and charged environments.

PubMed

Kumar, Pradeep; Han, Sungho

2012-09-21

We perform molecular dynamics simulations to study the effect of charged surfaces on the intermediate and long time dynamics of water in nanoconfinements. Here, we use the transferable interaction potential with five points (TIP5P) model of a water molecule confined in both hydrophobic and charged surfaces. For a single molecular layer of water between the surfaces, we find that the temperature dependence of the lateral diffusion constant of water up to very high temperatures remains Arrhenius with a high activation energy. In case of charged surfaces, however, the dynamics of water in the intermediate time regime is drastically modified presumably due to the transient coupling of dipoles of water molecules with electric field fluctuations induced by charges on the confining surfaces. Specifically, the lateral mean square displacements display a distinct super-diffusive behavior at intermediate time scale, defined as the time scale between ballistic and diffusive regimes. This change in the intermediate time-scale dynamics in the charged confinement leads to the enhancement of long-time dynamics as reflected in increasing diffusion constant. We introduce a simple model for a possible explanation of the super-diffusive behavior and find it to be in good agreement with our simulation results. Furthermore, we find that confinement and the surface polarity enhance the low frequency vibration in confinement compared to bulk water. By introducing a new effective length scale of coupling between translational and orientational motions, we find that the length scale increases with the increasing strength of the surface polarity. Further, we calculate the correlation between the diffusion constant and the excess entropy and find a disordering effect of polar surfaces on the structure of water. Finally, we find that the empirical relation between the diffusion constant and the excess entropy holds for a monolayer of water in nanoconfinement.

Light-Activated Gigahertz Ferroelectric Domain Dynamics

NASA Astrophysics Data System (ADS)

Akamatsu, Hirofumi; Yuan, Yakun; Stoica, Vladimir A.; Stone, Greg; Yang, Tiannan; Hong, Zijian; Lei, Shiming; Zhu, Yi; Haislmaier, Ryan C.; Freeland, John W.; Chen, Long-Qing; Wen, Haidan; Gopalan, Venkatraman

2018-03-01

Using time- and spatially resolved hard x-ray diffraction microscopy, the striking structural and electrical dynamics upon optical excitation of a single crystal of BaTiO3 are simultaneously captured on subnanoseconds and nanoscale within individual ferroelectric domains and across walls. A large emergent photoinduced electric field of up to 20 ×106 V /m is discovered in a surface layer of the crystal, which then drives polarization and lattice dynamics that are dramatically distinct in a surface layer versus bulk regions. A dynamical phase-field modeling method is developed that reveals the microscopic origin of these dynamics, leading to gigahertz polarization and elastic waves traveling in the crystal with sonic speeds and spatially varying frequencies. The advances in spatiotemporal imaging and dynamical modeling tools open up opportunities for disentangling ultrafast processes in complex mesoscale structures such as ferroelectric domains.

Coupling Osmolarity Dynamics within Human Tear Film on an Eye-Shaped Domain

NASA Astrophysics Data System (ADS)

Li, Longfei; Braun, R. J.; Driscoll, T. A.; Henshaw, W. D.; Banks, J. W.; King-Smith, P. E.

2013-11-01

The concentration of ions in the tear film (osmolarity) is a key variable in understanding dry eye symptoms and disease. We derived a mathematical model that couples osmolarity (treated as a single solute) and fluid dynamics within the tear film on a 2D eye-shaped domain. The model concerns the physical effects of evaporation, surface tension, viscosity, ocular surface wettability, osmolarity, osmosis and tear fluid supply and drainage. We solved the governing system of coupled nonlinear PDEs using the Overture computational framework developed at LLNL, together with a new hybrid time stepping scheme (using variable step BDF and RKC) that was added to the framework. Results of our numerical simulations show good agreement with existing 1D models (for both tear film and osmolarity dynamics) and provide new insight about the osmolarity distribution over the ocular surface during the interblink.

Dynamic Leidenfrost temperature on micro-textured surfaces: Acoustic wave absorption into thin vapor layer

NASA Astrophysics Data System (ADS)

Jerng, Dong Wook; Kim, Dong Eok

2018-01-01

The dynamic Leidenfrost phenomenon is governed by three types of pressure potentials induced via vapor hydrodynamics, liquid dynamic pressure, and the water hammer effect resulting from the generation of acoustic waves at the liquid-vapor interface. The prediction of the Leidenfrost temperature for a dynamic droplet needs quantitative evaluation and definition for each of the pressure fields. In particular, the textures on a heated surface can significantly affect the vapor hydrodynamics and the water hammer pressure. We present a quantitative model for evaluating the water hammer pressure on micro-textured surfaces taking into account the absorption of acoustic waves into the thin vapor layer. The model demonstrates that the strength of the acoustic flow into the liquid droplet, which directly contributes to the water hammer pressure, depends on the magnitude of the acoustic resistance (impedance) in the droplet and the vapor region. In consequence, the micro-textures of the surface and the increased spacing between them reduce the water hammer coefficient ( kh ) defined as the ratio of the acoustic flow into the droplet to total generated flow. Aided by numerical calculations that solve the laminar Navier-Stokes equation for the vapor flow, we also predict the dynamic Leidenfrost temperature on a micro-textured surface with reliable accuracy consistent with the experimental data.

Dynamical Core in Atmospheric Model Does Matter in the Simulation of Arctic Climate

NASA Astrophysics Data System (ADS)

Jun, Sang-Yoon; Choi, Suk-Jin; Kim, Baek-Min

2018-03-01

Climate models using different dynamical cores can simulate significantly different winter Arctic climates even if equipped with virtually the same physics schemes. Current climate simulated by the global climate model using cubed-sphere grid with spectral element method (SE core) exhibited significantly warmer Arctic surface air temperature compared to that using latitude-longitude grid with finite volume method core. Compared to the finite volume method core, SE core simulated additional adiabatic warming in the Arctic lower atmosphere, and this was consistent with the eddy-forced secondary circulation. Downward longwave radiation further enhanced Arctic near-surface warming with a higher surface air temperature of about 1.9 K. Furthermore, in the atmospheric response to the reduced sea ice conditions with the same physical settings, only the SE core showed a robust cooling response over North America. We emphasize that special attention is needed in selecting the dynamical core of climate models in the simulation of the Arctic climate and associated teleconnection patterns.

Characteristics of organic soil in black spruce forests: Implications for the application of land surface and ecosystem models in cold regions

USGS Publications Warehouse

Yi, S.; Manies, K.; Harden, J.; McGuire, A.D.

2009-01-01

Soil organic layers (OL) play an important role in landatmosphere exchanges of water, energy and carbon in cold environments. The proper implementation of OL in land surface and ecosystem models is important for predicting dynamic responses to climate warming. Based on the analysis of OL samples of black spruce (Picea mariana), we recommend that implementation of OL for cold regions modeling: (1) use three general organic horizon types (live, fibrous, and amorphous) to represent vertical soil heterogeneity; (2) implement dynamics of OL over the course of disturbance, as there are significant differences of OL thickness between young and mature stands; and (3) use two broad drainage classes to characterize spatial heterogeneity, as there are significant differences in OL thickness between dry and wet sites. Implementation of these suggestions into models has the potential to substantially improve how OL dynamics influence variability in surface temperature and soil moisture in cold regions. Copyright 2009 by the American Geophys.ical Union.

Dynamic structural disorder in supported nanoscale catalysts

NASA Astrophysics Data System (ADS)

Rehr, J. J.; Vila, F. D.

2014-04-01

We investigate the origin and physical effects of "dynamic structural disorder" (DSD) in supported nano-scale catalysts. DSD refers to the intrinsic fluctuating, inhomogeneous structure of such nano-scale systems. In contrast to bulk materials, nano-scale systems exhibit substantial fluctuations in structure, charge, temperature, and other quantities, as well as large surface effects. The DSD is driven largely by the stochastic librational motion of the center of mass and fluxional bonding at the nanoparticle surface due to thermal coupling with the substrate. Our approach for calculating and understanding DSD is based on a combination of real-time density functional theory/molecular dynamics simulations, transient coupled-oscillator models, and statistical mechanics. This approach treats thermal and dynamic effects over multiple time-scales, and includes bond-stretching and -bending vibrations, and transient tethering to the substrate at longer ps time-scales. Potential effects on the catalytic properties of these clusters are briefly explored. Model calculations of molecule-cluster interactions and molecular dissociation reaction paths are presented in which the reactant molecules are adsorbed on the surface of dynamically sampled clusters. This model suggests that DSD can affect both the prefactors and distribution of energy barriers in reaction rates, and thus can significantly affect catalytic activity at the nano-scale.

Tunable vertical-cavity surface-emitting laser with feedback to implement a pulsed neural model. 2. High-frequency effects and optical coupling.

PubMed

Romariz, Alexandre R S; Wagner, Kelvin H

2007-07-20

The operation of an optoelectronic dynamic neural model implementation is extended to higher frequencies. A simplified model of thermal effects in vertical-cavity surface-emitting lasers correctly predicts the qualitative changes in the nonlinear mapping implementation with frequency. Experiments and simulations show the expected resonance properties of this model neuron, along with the possibility of other dynamic effects in addition to the ones observed in the original FitzHugh-Nagumo equations. Results of optical coupling between two similar pulsing artificial neurons are also presented.

A determination of the external forces required to move the benchmark active controls testing model in pure plunge and pure pitch

NASA Technical Reports Server (NTRS)

Dcruz, Jonathan

1993-01-01

In view of the strong need for a well-documented set of experimental data which is suitable for the validation and/or calibration of modern Computational Fluid Dynamics codes, the Benchmark Models Program was initiated by the Structural Dynamics Division of the NASA Langley Research Center. One of the models in the program, the Benchmark Active Controls Testing Model, consists of a rigid wing of rectangular planform with a NACA 0012 profile and three control surfaces (a trailing-edge control surface, a lower-surface spoiler, and an upper-surface spoiler). The model is affixed to a flexible mount system which allows only plunging and/or pitching motion. An approximate analytical determination of the forces required to move this model, with its control surfaces fixed, in pure plunge and pure pitch at a number of test conditions is included. This provides a good indication of the type of actuator system required to generate the aerodynamic data resulting from pure plunging and pure pitching motion, in which much interest was expressed. The analysis makes use of previously obtained numerical results.

From terrestrial to aquatic fluxes: Integrating stream dynamics within a dynamic global vegetation modeling framework

NASA Astrophysics Data System (ADS)

Hoy, Jerad; Poulter, Benjamin; Emmett, Kristen; Cross, Molly; Al-Chokhachy, Robert; Maneta, Marco

2016-04-01

Integrated terrestrial ecosystem models simulate the dynamics and feedbacks between climate, vegetation, disturbance, and hydrology and are used to better understand biogeography and biogeochemical cycles. Extending dynamic vegetation models to the aquatic interface requires coupling surface and sub-surface runoff to catchment routing schemes and has the potential to enhance how researchers and managers investigate how changes in the environment might impact the availability of water resources for human and natural systems. In an effort towards creating such a coupled model, we developed catchment-based hydrologic routing and stream temperature model to pair with LPJ-GUESS, a dynamic global vegetation model. LPJ-GUESS simulates detailed stand-level vegetation dynamics such as growth, carbon allocation, and mortality, as well as various physical and hydrologic processes such as canopy interception and through-fall, and can be applied at small spatial scales, i.e., 1 km. We demonstrate how the coupled model can be used to investigate the effects of transient vegetation dynamics and CO2 on seasonal and annual stream discharge and temperature regimes. As a direct management application, we extend the modeling framework to predict habitat suitability for fish habitat within the Greater Yellowstone Ecosystem, a 200,000 km2 region that provides critical habitat for a range of aquatic species. The model is used to evaluate, quantitatively, the effects of management practices aimed to enhance hydrologic resilience to climate change, and benefits for water storage and fish habitat in the coming century.

Modelling MIZ dynamics in a global model

NASA Astrophysics Data System (ADS)

Rynders, Stefanie; Aksenov, Yevgeny; Feltham, Daniel; Nurser, George; Naveira Garabato, Alberto

2016-04-01

Exposure of large, previously ice-covered areas of the Arctic Ocean to the wind and surface ocean waves results in the Arctic pack ice cover becoming more fragmented and mobile, with large regions of ice cover evolving into the Marginal Ice Zone (MIZ). The need for better climate predictions, along with growing economic activity in the Polar Oceans, necessitates climate and forecasting models that can simulate fragmented sea ice with a greater fidelity. Current models are not fully fit for the purpose, since they neither model surface ocean waves in the MIZ, nor account for the effect of floe fragmentation on drag, nor include sea ice rheology that represents both the now thinner pack ice and MIZ ice dynamics. All these processes affect the momentum transfer to the ocean. We present initial results from a global ocean model NEMO (Nucleus for European Modelling of the Ocean) coupled to the Los Alamos sea ice model CICE. The model setup implements a novel rheological formulation for sea ice dynamics, accounting for ice floe collisions, thus offering a seamless framework for pack ice and MIZ simulations. The effect of surface waves on ice motion is included through wave pressure and the turbulent kinetic energy of ice floes. In the multidecadal model integrations we examine MIZ and basin scale sea ice and oceanic responses to the changes in ice dynamics. We analyse model sensitivities and attribute them to key sea ice and ocean dynamical mechanisms. The results suggest that the effect of the new ice rheology is confined to the MIZ. However with the current increase in summer MIZ area, which is projected to continue and may become the dominant type of sea ice in the Arctic, we argue that the effects of the combined sea ice rheology will be noticeable in large areas of the Arctic Ocean, affecting sea ice and ocean. With this study we assert that to make more accurate sea ice predictions in the changing Arctic, models need to include MIZ dynamics and physics.

Quasi-Geostrophic Diagnosis of Mixed-Layer Dynamics Embedded in a Mesoscale Turbulent Field

NASA Astrophysics Data System (ADS)

Chavanne, C. P.; Klein, P.

2016-02-01

A new quasi-geostrophic model has been developed to diagnose the three-dimensional circulation, including the vertical velocity, in the upper ocean from high-resolution observations of sea surface height and buoyancy. The formulation for the adiabatic component departs from the classical surface quasi-geostrophic framework considered before since it takes into account the stratification within the surface mixed-layer that is usually much weaker than that in the ocean interior. To achieve this, the model approximates the ocean with two constant-stratification layers : a finite-thickness surface layer (or the mixed-layer) and an infinitely-deep interior layer. It is shown that the leading-order adiabatic circulation is entirely determined if both the surface streamfunction and buoyancy anomalies are considered. The surface layer further includes a diabatic dynamical contribution. Parameterization of diabatic vertical velocities is based on their restoring impacts of the thermal-wind balance that is perturbed by turbulent vertical mixing of momentum and buoyancy. The model skill in reproducing the three-dimensional circulation in the upper ocean from surface data is checked against the output of a high-resolution primitive-equation numerical simulation. Correlation between simulated and diagnosed vertical velocities are significantly improved in the mixed-layer for the new model compared to the classical surface quasi-geostrophic model, reaching 0.9 near the surface.

Collinear Collision Chemistry: 1. A Simple Model for Inelastic and Reactive Collision Dynamics

ERIC Educational Resources Information Center

Mahan, Bruce H.

1974-01-01

Discusses a model for the collinear collision of an atom with a diatomic molecule on a simple potential surface. Indicates that the model can provide a framework for thinking about molecular collisions and reveal many factors which affect the dynamics of reactive and inelastic collisions. (CC)

A parametric study of surface roughness and bonding mechanisms of aluminum alloys with epoxies: a molecular dynamics simulation

NASA Astrophysics Data System (ADS)

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.

Identifying Hydrogeological Controls of Catchment Low-Flow Dynamics Using Physically Based Modelling

NASA Astrophysics Data System (ADS)

Cochand, F.; Carlier, C.; Staudinger, M.; Seibert, J.; Hunkeler, D.; Brunner, P.

2017-12-01

Identifying key catchment characteristics and processes which control the hydrological response under low-flow conditions is important to assess the catchments' vulnerability to dry periods. In the context of a Swiss Federal Office for the Environment (FOEN) project, the low-flow behaviours of two mountainous catchments were investigated. These neighboring catchments are characterized by the same meteorological conditions, but feature completely different river flow dynamics. The Roethenbach is characterized by high peak flows and low mean flows. Conversely, the Langete is characterized by relatively low peak flows and high mean flow rates. To understand the fundamentally different behaviour of the two catchments, a physically-based surface-subsurface flow HydroGeoSphere (HGS) model for each catchment was developed. The main advantage of a physically-based model is its ability to realistically reproduce processes which play a key role during low-flow periods such as surface-subsurface interactions or evapotranspiration. Both models were calibrated to reproduce measured groundwater heads and the surface flow dynamics. Subsequently, the calibrated models were used to explore the fundamental physics that control hydrological processes during low-flow periods. To achieve this, a comparative sensitivity analysis of model parameters of both catchments was carried out. Results show that the hydraulic conductivity of the bedrock (and weathered bedrock) controls the catchment water dynamics in both models. Conversely, the properties of other geological formations such as alluvial aquifer or soil layer hydraulic conductivity or porosity play a less important role. These results change significantly our perception of the streamflow catchment dynamics and more specifically the way to assess catchment vulnerability to dry period. This study suggests that by analysing catchment scale bedrock properties, the catchment dynamics and the vulnerability to dry period may be assessed.

Modeling of silicon in femtosecond laser-induced modification regimes: accounting for ambipolar diffusion

NASA Astrophysics Data System (ADS)

Derrien, Thibault J.-Y.; Bulgakova, Nadezhda M.

2017-05-01

During the last decades, femtosecond laser irradiation of materials has led to the emergence of various applications based on functionalization of surfaces at the nano- and microscale. Via inducing a periodic modification on material surfaces (band gap modification, nanostructure formation, crystallization or amorphization), optical and mechanical properties can be tailored, thus turning femtosecond laser to a key technology for development of nanophotonics, bionanoengineering, and nanomechanics. Although modification of semiconductor surfaces with femtosecond laser pulses has been studied for more than two decades, the dynamics of coupling of intense laser light with excited matter remains incompletely understood. In particular, swift formation of a transient overdense electron-hole plasma dynamically modifies optical properties in the material surface layer and induces large gradients of hot charge carriers, resulting in ultrafast charge-transport phenomena. In this work, the dynamics of ultrafast laser excitation of a semiconductor material is studied theoretically on the example of silicon. A special attention is paid to the electron-hole pair dynamics, taking into account ambipolar diffusion effects. The results are compared with previously developed simulation models, and a discussion of the role of charge-carrier dynamics in localization of material modification is provided.

A study of the adequacy of quasi-geostrophic dynamics for modeling the effect of frontal cyclones on the larger scale flow

NASA Technical Reports Server (NTRS)

Mudrick, S.

1985-01-01

The validity of quasi-geostrophic (QG) dynamics were tested on compared to primitive equation (PE) dynamics, for modeling the effect of cyclone waves on the larger scale flow. The formation of frontal cyclones and the dynamics of occluded frontogenesis were studied. Surface friction runs with the PE model and the wavelength of maximum instability is described. Also fine resolution PE simulation of a polar low is described.

Competing Thermodynamic and Dynamic Factors Select Molecular Assemblies on a Gold Surface

NASA Astrophysics Data System (ADS)

Haxton, Thomas K.; Zhou, Hui; Tamblyn, Isaac; Eom, Daejin; Hu, Zonghai; Neaton, Jeffrey B.; Heinz, Tony F.; Whitelam, Stephen

2013-12-01

Controlling the self-assembly of surface-adsorbed molecules into nanostructures requires understanding physical mechanisms that act across multiple length and time scales. By combining scanning tunneling microscopy with hierarchical ab initio and statistical mechanical modeling of 1,4-substituted benzenediamine (BDA) molecules adsorbed on a gold (111) surface, we demonstrate that apparently simple nanostructures are selected by a subtle competition of thermodynamics and dynamics. Of the collection of possible BDA nanostructures mechanically stabilized by hydrogen bonding, the interplay of intermolecular forces, surface modulation, and assembly dynamics select at low temperature a particular subset: low free energy oriented linear chains of monomers and high free energy branched chains.

Predicting and testing continental vertical motion histories since the Paleozoic

NASA Astrophysics Data System (ADS)

Zhang, Nan; Zhong, Shijie; Flowers, Rebecca M.

2012-02-01

Dynamic topography at the Earth's surface caused by mantle convection can affect a range of geophysical and geological observations including bathymetry, sea-level change, continental flooding, sedimentation and erosion. These observations provide important constraints on and test of mantle dynamic models. Based on global mantle convection models coupled with the surface plate motion history, we compute dynamic topography and its history for the last 400 Ma associated with Pangea assembly and breakup, with particular focus on cratonic regions. We propose that burial-unroofing histories of cratons inferred from thermochronology data can be used as a new diagnostic to test dynamic topography and mantle dynamic models. Our models show that there are currently two broad dynamic topography highs in the Pacific and Africa for the present-day Earth that are associated with the broad, warm structures (i.e., superplumes) in the deep mantle, consistent with previous proposals of dynamical support for the Pacific and African superswells. Our models reveal that Pangea assembly and breakup, by affecting subduction and mantle upwelling processes, have significant effects on continental vertical motions. Our models predict that the Slave craton in North America subsides before Pangea assembly at 330 Ma but uplifts significantly from 330 Ma to 240 Ma in response to pre-Pangea subduction and post-assembly mantle warming. The Kaapvaal craton of Africa is predicted to undergo uplift from ~180 Ma to 90 Ma after Pangea breakup, but its dynamic topography remains stable for the last 90 Ma. The predicted histories of elevation change for the Slave and Kaapvaal cratons compare well with the burial-unroofing histories inferred from thermochronology studies, thus supporting our dynamic models including the development of the African superplume mantle structure. The vertical motion histories for other cratons can provide further tests of and constraints on our mantle dynamic models.

Predicting and testing continental vertical motion histories since the Paleozoic

NASA Astrophysics Data System (ADS)

Zhang, N.; Zhong, S.; Flowers, R. M.

2011-12-01

Dynamic topography at the Earth's surface caused by mantle convection can affect a range of geophysical and geological observations including bathymetry, sea-level change, continental flooding, sedimentation and erosion. These observations provide important constraints on and test of mantle dynamic models. Based on global mantle convection models coupled with the surface plate motion history, we compute dynamic topography and its history for the last 400 Ma associated with Pangea assembly and breakup, with particular focus on continental cratonic regions. We propose that burial-unroofing histories of continental cratons inferred from thermochronology data can be used as a new diagnostic to test dynamic topography and mantle dynamic models. Our models show that there are currently two broad dynamic topography highs in the Pacific and Africa for the present-day Earth that are associated with the broad, warm structures (i.e., superplumes) in the deep mantle, consistent with previous proposals of dynamical support for the Pacific and African superswells. Our models reveal that Pangea assembly and breakup, by affecting subduction and mantle upwelling processes, have significant effects on continental vertical motions. Our models predict that the Slave craton in North America subsides before Pangea assembly at 330 Ma but uplifts significantly from 330 Ma to 240 Ma in response to pre-Pangea subduction and post-assembly mantle warming. The Kaapvaal craton of Africa is predicted to undergo uplift from ~180 Ma to 90 Ma after Pangea breakup, but its dynamic topography remains stable for the last 90 Ma. The predicted histories of elevation change for the Slave and Kaapvaal cratons compare well with the burial-unroofing histories inferred from thermochronology studies, thus supporting our dynamic models including the development of the African superplume mantle structure. The vertical motion histories for other cratons can provide further tests and constraints on our mantle dynamic models.

Computer Simulation of the Forces Acting on the Polystyrene Probe Submerged into the Succinonitrile Near Phase Transition

NASA Technical Reports Server (NTRS)

Bune, Andris V.; Kaukler, William F.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

Modeling approach to simulate both mesoscale and microscopic forces acting in a typical AFM experiment is presented. At mesoscale level interaction between the cantilever tip and the sample surface is primarily described by the balance of attractive Van der Waals and repulsive forces. The model of cantilever oscillations is applicable to both non-contact and "tapping" AFM. This model can be farther enhanced to describe nanoparticle manipulation by cantilever. At microscopic level tip contamination and details of tip-surface interaction can be simulated using molecular dynamics approach. Integration of mesoscale model with molecular dynamic model is discussed.

Dynamics of coarsening in multicomponent lipid vesicles with non-uniform mechanical properties

NASA Astrophysics Data System (ADS)

Funkhouser, Chloe M.; Solis, Francisco J.; Thornton, K.

2014-04-01

Multicomponent lipid vesicles are commonly used as a model system for the complex plasma membrane. One phenomenon that is studied using such model systems is phase separation. Vesicles composed of simple lipid mixtures can phase-separate into liquid-ordered and liquid-disordered phases, and since these phases can have different mechanical properties, this separation can lead to changes in the shape of the vesicle. In this work, we investigate the dynamics of phase separation in multicomponent lipid vesicles, using a model that couples composition to mechanical properties such as bending rigidity and spontaneous curvature. The model allows the vesicle surface to deform while conserving surface area and composition. For vesicles initialized as spheres, we study the effects of phase fraction and spontaneous curvature. We additionally initialize two systems with elongated, spheroidal shapes. Dynamic behavior is contrasted in systems where only one phase has a spontaneous curvature similar to the overall vesicle surface curvature and systems where the spontaneous curvatures of both phases are similar to the overall curvature. The bending energy contribution is typically found to slow the dynamics by stabilizing configurations with multiple domains. Such multiple-domain configurations are found more often in vesicles with spheroidal shapes than in nearly spherical vesicles.

SPH non-Newtonian Model for Ice Sheet and Ice Shelf Dynamics

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

Tartakovsky, Alexandre M.; Pan, Wenxiao; Monaghan, Joseph J.

2012-07-07

We propose a new three-dimensional smoothed particle hydrodynamics (SPH) non-Newtonian model to study coupled ice sheet and ice shelf dynamics. Most existing ice sheet numerical models use a grid-based Eulerian approach, and are usually restricted to shallow ice sheet and ice shelf approximations of the momentum conservation equation. SPH, a fully Lagrangian particle method, solves the full momentum conservation equation. SPH method also allows modeling of free-surface flows, large material deformation, and material fragmentation without employing complex front-tracking schemes, and does not require re-meshing. As a result, SPH codes are highly scalable. Numerical accuracy of the proposed SPH model ismore » first verified by simulating a plane shear flow with a free surface and the propagation of a blob of ice along a horizontal surface. Next, the SPH model is used to investigate the grounding line dynamics of ice sheet/shelf. The steady position of the grounding line, obtained from our SPH simulations, is in good agreement with laboratory observations for a wide range of bedrock slopes, ice-to-fluid density ratios, and flux. We examine the effect of non-Newtonian behavior of ice on the grounding line dynamics. The non-Newtonian constitutive model is based on Glen's law for a creeping flow of a polycrystalline ice. Finally, we investigate the effect of a bedrock geometry on a steady-state position of the grounding line.« less

Integration of nitrogen dynamics into the Noah-MP land surface model v1.1 for climate and environmental predictions

NASA Astrophysics Data System (ADS)

Cai, X.; Yang, Z.-L.; Fisher, J. B.; Zhang, X.; Barlage, M.; Chen, F.

2016-01-01

Climate and terrestrial biosphere models consider nitrogen an important factor in limiting plant carbon uptake, while operational environmental models view nitrogen as the leading pollutant causing eutrophication in water bodies. The community Noah land surface model with multi-parameterization options (Noah-MP) is unique in that it is the next-generation land surface model for the Weather Research and Forecasting meteorological model and for the operational weather/climate models in the National Centers for Environmental Prediction. In this study, we add a capability to Noah-MP to simulate nitrogen dynamics by coupling the Fixation and Uptake of Nitrogen (FUN) plant model and the Soil and Water Assessment Tool (SWAT) soil nitrogen dynamics. This model development incorporates FUN's state-of-the-art concept of carbon cost theory and SWAT's strength in representing the impacts of agricultural management on the nitrogen cycle. Parameterizations for direct root and mycorrhizal-associated nitrogen uptake, leaf retranslocation, and symbiotic biological nitrogen fixation are employed from FUN, while parameterizations for nitrogen mineralization, nitrification, immobilization, volatilization, atmospheric deposition, and leaching are based on SWAT. The coupled model is then evaluated at the Kellogg Biological Station - a Long Term Ecological Research site within the US Corn Belt. Results show that the model performs well in capturing the major nitrogen state/flux variables (e.g., soil nitrate and nitrate leaching). Furthermore, the addition of nitrogen dynamics improves the modeling of net primary productivity and evapotranspiration. The model improvement is expected to advance the capability of Noah-MP to simultaneously predict weather and water quality in fully coupled Earth system models.

Nonequilibrium Green's functions and atom-surface dynamics: Simple views from a simple model system

NASA Astrophysics Data System (ADS)

Boström, E.; Hopjan, M.; Kartsev, A.; Verdozzi, C.; Almbladh, C.-O.

2016-03-01

We employ Non-equilibrium Green's functions (NEGF) to describe the real-time dynamics of an adsorbate-surface model system exposed to ultrafast laser pulses. For a finite number of electronic orbitals, the system is solved exactly and within different levels of approximation. Specifically i) the full exact quantum mechanical solution for electron and nuclear degrees of freedom is used to benchmark ii) the Ehrenfest approximation (EA) for the nuclei, with the electron dynamics still treated exactly. Then, using the EA, electronic correlations are treated with NEGF within iii) 2nd Born and with iv) a recently introduced hybrid scheme, which mixes 2nd Born self-energies with non-perturbative, local exchange- correlation potentials of Density Functional Theory (DFT). Finally, the effect of a semi-infinite substrate is considered: we observe that a macroscopic number of de-excitation channels can hinder desorption. While very preliminary in character and based on a simple and rather specific model system, our results clearly illustrate the large potential of NEGF to investigate atomic desorption, and more generally, the non equilibrium dynamics of material surfaces subject to ultrafast laser fields.

A study of helicopter stability and control including blade dynamics

NASA Technical Reports Server (NTRS)

Zhao, Xin; Curtiss, H. C., Jr.

1988-01-01

A linearized model of rotorcraft dynamics has been developed through the use of symbolic automatic equation generating techniques. The dynamic model has been formulated in a unique way such that it can be used to analyze a variety of rotor/body coupling problems including a rotor mounted on a flexible shaft with a number of modes as well as free-flight stability and control characteristics. Direct comparison of the time response to longitudinal, lateral and directional control inputs at various trim conditions shows that the linear model yields good to very good correlation with flight test. In particular it is shown that a dynamic inflow model is essential to obtain good time response correlation, especially for the hover trim condition. It also is shown that the main rotor wake interaction with the tail rotor and fixed tail surfaces is a significant contributor to the response at translational flight trim conditions. A relatively simple model for the downwash and sidewash at the tail surfaces based on flat vortex wake theory is shown to produce good agreement. Then, the influence of rotor flap and lag dynamics on automatic control systems feedback gain limitations is investigated with the model. It is shown that the blade dynamics, especially lagging dynamics, can severly limit the useable values of the feedback gain for simple feedback control and that multivariable optimal control theory is a powerful tool to design high gain augmentation control system. The frequency-shaped optimal control design can offer much better flight dynamic characteristics and a stable margin for the feedback system without need to model the lagging dynamics.

An improved empirical dynamic control system model of global mean sea level rise and surface temperature change

NASA Astrophysics Data System (ADS)

Wu, Qing; Luu, Quang-Hung; Tkalich, Pavel; Chen, Ge

2018-04-01

Having great impacts on human lives, global warming and associated sea level rise are believed to be strongly linked to anthropogenic causes. Statistical approach offers a simple and yet conceptually verifiable combination of remotely connected climate variables and indices, including sea level and surface temperature. We propose an improved statistical reconstruction model based on the empirical dynamic control system by taking into account the climate variability and deriving parameters from Monte Carlo cross-validation random experiments. For the historic data from 1880 to 2001, we yielded higher correlation results compared to those from other dynamic empirical models. The averaged root mean square errors are reduced in both reconstructed fields, namely, the global mean surface temperature (by 24-37%) and the global mean sea level (by 5-25%). Our model is also more robust as it notably diminished the unstable problem associated with varying initial values. Such results suggest that the model not only enhances significantly the global mean reconstructions of temperature and sea level but also may have a potential to improve future projections.

Stochastic dynamics of melt ponds and sea ice-albedo climate feedback

NASA Astrophysics Data System (ADS)

Sudakov, Ivan

Evolution of melt ponds on the Arctic sea surface is a complicated stochastic process. We suggest a low-order model with ice-albedo feedback which describes stochastic dynamics of melt ponds geometrical characteristics. The model is a stochastic dynamical system model of energy balance in the climate system. We describe the equilibria in this model. We conclude the transition in fractal dimension of melt ponds affects the shape of the sea ice albedo curve.

Dynamical model of binary asteroid systems through patched three-body problems

NASA Astrophysics Data System (ADS)

Ferrari, Fabio; Lavagna, Michèle; Howell, Kathleen C.

2016-08-01

The paper presents a strategy for trajectory design in the proximity of a binary asteroid pair. A novel patched approach has been used to design trajectories in the binary system, which is modeled by means of two different three-body systems. The model introduces some degrees of freedom with respect to a classical two-body approach and it is intended to model to higher accuracy the peculiar dynamical properties of such irregular and low gravity field bodies, while keeping the advantages of having a full analytical formulation and low computational cost required. The neighborhood of the asteroid couple is split into two regions of influence where two different three-body problems describe the dynamics of the spacecraft. These regions have been identified by introducing the concept of surface of equivalence (SOE), a three-dimensional surface that serves as boundary between the regions of influence of each dynamical model. A case of study is presented, in terms of potential scenario that may benefit of such an approach in solving its mission analysis. Cost-effective solutions to land a vehicle on the surface of a low gravity body are selected by generating Poincaré maps on the SOE, seeking intersections between stable and unstable manifolds of the two patched three-body systems.

Dynamics of the Rydberg state population of slow highly charged ions impinging a solid surface at arbitrary collision geometry

NASA Astrophysics Data System (ADS)

Nedeljković, N. N.; Majkić, M. D.; Božanić, D. K.; Dojčilović, R. J.

2016-06-01

We consider the population dynamics of the intermediate Rydberg states of highly charged ions (core charge Z\\gg 1, principal quantum number {n}{{A}}\\gg 1) interacting with solid surfaces at arbitrary collision geometry. The recently developed resonant two-state vector model for the grazing incidence (2012 J. Phys. B: At. Mol. Opt. Phys. 45 215202) is extended to the quasi-resonant case and arbitrary angle of incidence. According to the model, the population probabilities depend both on the projectile parallel and perpendicular velocity components, in a complementary way. A cascade neutralization process for {{{Xe}}}Z+ ions, for Z=15{--}45, interacting with a conductive-surface is considered by taking into account the population dynamics. For an arbitrary collision geometry and given range of ionic velocities, a micro-staircase model for the simultaneous calculation of the kinetic energy gain and the charge state of the ion in front of the surface is proposed. The relevance of the obtained results for the explanation of the formation of nanostructures on solid surfaces by slow highly charged ions for normal incidence geometry is briefly discussed.

A molecular model for ice nucleation and growth, attachment 1

NASA Technical Reports Server (NTRS)

Plummer, P. L. M.

1981-01-01

The quantum mechanical technique is used to study ionic, configurational, and impurity defects in the ice surface. In addition to static calculations of the energetics of the water monomer-ice surface interactions, molecular dynamics studies were initiated. The calculations of the monomer-ice surface interaction, molecular dynamics studies were initiated. The calculations of monomer-ice surface interactions indicate that many adsorption sites exist on the ice surfaces and that the barriers between bonding sites are relatively low. Bonding on the prism face of ice is preferentially above lattice sites.

Improvement of the Correlative AFM and ToF-SIMS Approach Using an Empirical Sputter Model for 3D Chemical Characterization.

PubMed

Terlier, T; Lee, J; Lee, K; Lee, Y

2018-02-06

Technological progress has spurred the development of increasingly sophisticated analytical devices. The full characterization of structures in terms of sample volume and composition is now highly complex. Here, a highly improved solution for 3D characterization of samples, based on an advanced method for 3D data correction, is proposed. Traditionally, secondary ion mass spectrometry (SIMS) provides the chemical distribution of sample surfaces. Combining successive sputtering with 2D surface projections enables a 3D volume rendering to be generated. However, surface topography can distort the volume rendering by necessitating the projection of a nonflat surface onto a planar image. Moreover, the sputtering is highly dependent on the probed material. Local variation of composition affects the sputter yield and the beam-induced roughness, which in turn alters the 3D render. To circumvent these drawbacks, the correlation of atomic force microscopy (AFM) with SIMS has been proposed in previous studies as a solution for the 3D chemical characterization. To extend the applicability of this approach, we have developed a methodology using AFM-time-of-flight (ToF)-SIMS combined with an empirical sputter model, "dynamic-model-based volume correction", to universally correct 3D structures. First, the simulation of 3D structures highlighted the great advantages of this new approach compared with classical methods. Then, we explored the applicability of this new correction to two types of samples, a patterned metallic multilayer and a diblock copolymer film presenting surface asperities. In both cases, the dynamic-model-based volume correction produced an accurate 3D reconstruction of the sample volume and composition. The combination of AFM-SIMS with the dynamic-model-based volume correction improves the understanding of the surface characteristics. Beyond the useful 3D chemical information provided by dynamic-model-based volume correction, the approach permits us to enhance the correlation of chemical information from spectroscopic techniques with the physical properties obtained by AFM.

Light-activated Gigahertz Ferroelectric Domain Dynamics

DOE PAGES

Akamatsu, Hirofumii; Yuan, Yakun; Stoica, Vladimir A.; ...

2018-02-26

Using time- and spatially-resolved hard X-ray diffraction microscopy, the striking structural and electrical dynamics upon optical excitation of a single crystal of BaTiO 3 are simultaneously captured on sub-nanoseconds and nanoscale within individual ferroelectric domains and across walls. A large emergent photo-induced electric field of up to 20 million volts per meter is discovered in a surface layer of the crystal, which then drives polarization and lattice dynamics that are dramatically distinct in a surface layer versus bulk regions. A dynamical phase-field modeling (DPFM) method is developed that reveals the microscopic origin of these dynamics, leading to GHz polarization andmore » elastic waves travelling in the crystal with sonic speeds and spatially varying frequencies. The advance of spatiotemporal imaging and dynamical modeling tools open opportunities of disentangling ultrafast processes in complex mesoscale structures such as ferroelectric domains« less

Evaluation of thermal behavior during laser metal deposition using optical pyrometry and numerical simulation

NASA Astrophysics Data System (ADS)

Dubrov, Alexander V.; Zavalov, Yuri N.; Mirzade, Fikret K.; Dubrov, Vladimir D.

2017-06-01

3D mathematical model of non-stationary processes of heat and mass transfer was developed for additive manufacturing of materials by direct laser metal deposition. The model takes into account self-consistent dynamics of free surface, temperature fields, and melt flow speeds. Evolution of free surface is modelled using combined Volume of Fluid and Level-Set method. Article presents experimental results of the measurement of temperature distribution in the area of bead formation by direct laser metal deposition, using multi-channel pyrometer, that is based on two-color sensors line. A comparison of experimental data with the results of numerical modeling was carried out. Features of thermal dynamics on the surface of melt pool have been detected, which were caused by thermo-capillary convection.

Stability analysis for capillary channel flow: 1d and 3d computations

NASA Astrophysics Data System (ADS)

Grah, Aleksander; Klatte, Jörg; Dreyer, Michael E.

The subject of the presentation are numerical studies on capillary channel flow, based on results of the sounding rocket TEXUS experiments. The flow through a capillary channel is established by a gear pump at the outlet. The channel, consists of two parallel glass plates with a width of 25 mm, a gap of 10 mm and a length of 12 mm. The meniscus of a compensation tube maintains a constant system pressure. Steady and dynamic pressure effects in the system force the surfaces to bend inwards. A maximum flow rate is achieved when the free surface collapses and gas ingestion occurs at the outlet. This critical flow rate depends on the channel geometry, the flow regime and the liquid properties. The aim of the experiments is the determination of the free surface shape and to find the maximum flow rate. In order to study the unsteady liquid loop behavior, a dimensionless one-dimensional model and a corresponding three-dimensional model were developed. The one-dimensional model is based on the unsteady Bernoulli equation, the unsteady continuity equation and geometrical conditions for the surface curvature and the flow cross-section. The experimental and evaluated contour data show good agreement for a sequence of transient flow rate perturbations. In the case of steady flow at maximum flow rate, when the "choking" effect occurs, the surfaces collapse and cause gas ingestion into the channel. This effect is related to the Speed Index. At the critical flow rate the Speed Index reaches the value 1, in analogy to the Mach Number. Unsteady choking does not necessarily cause surface collapse. We show, that temporarily Speed Index values exceeding One may be achieved for a perfectly stable supercritical dynamic flow. As a supercritical criterion for the dynamic free surface stability we define a Dynamic Index considering the local capillary pressure and the convective pressure, which is a function of the local velocity. The Dynamic Index is below One for stable flow while D = 1 indicates surface collapse. This studies lead to a stability diagram, which defines the limits of flow dynamics and the maximum unsteady flow rate.

Effect of surface roughness on contact line dynamics of a thin droplet

NASA Astrophysics Data System (ADS)

Bhattacharjee, Debanik; Soltannia, Babak; Nazaripoor, Hadi; Sadrzadeh, Mohtada

2017-11-01

Any surface possesses inherent roughness. Droplet spreading on a surface is an example of a contact line problem. The tri-phase contact line is prone to stress singularity which can be relieved by using precursor film assumption and disjoining pressure. In this study, an axisymmetric, incompressible, Newtonian droplet spreading on a surface was investigated. An evolution equation which tracks the droplet height over time was obtained considering the lubrication approximation. The nonlinear PDE of evolution equation was solved using finite difference scheme. A simplified Gaussian model was used as a starting point to assess the role of roughness in the dynamics of contact line. The preliminary results revealed that, for both impermeable and permeable surfaces, the apparent contact angle increased in the presence of defects whereas the equilibrium stage remained unaffected. The apparent contact angle, however, was more strongly dependent on the nature and density of defects for impermeable surfaces due to the longer droplet lifetime. Furthermore, random self-affine and non-Gaussian models are employed. The mathematical model results are finally compared with theoretical models like the Cassie-Baxter, Wenzel, and Penetration modes. NSERC.

Modeling Water Redistribution in a Near-Surface Arid Soil

NASA Astrophysics Data System (ADS)

Luo, Y.; Ghezzehei, T. A.; Berli, M.; Dijkema, J.; Koonce, J.

2017-12-01

Desert soils cover about one third of the Earth's land surface and play an important role in the ecology and hydrology of arid environments. Despite their large extend, relatively little is known about their near-surface (top centimeters to meter) water dynamics. Recent studies by Koonce (2016) and Dijkema et al. (2017) shed light on the water dynamics of near-surface arid soil but also revealed some of the challenges to simulate the water redistribution in arid soils. The goal of this study was to improve water redistribution simulations in near-surface arid soils by employing more advanced hydraulic conductivity functions. Expanding on the work by Dijkema et al. (2017), we used a HYDRUS-1D model with different hydraulic conductivity functions to simulate water redistribution within the soil as a function of precipitation, evaporation and drainage. Model calculations were compared with measured data from the SEPHAS weighing lysimeters in Boulder City, NV. Preliminary results indicate that water redistribution simulations of near-surface arid soils can be improved by using hydraulic conductivity functions that can capture capillary, film and vapor flow, like for example the Peter-Durner-Iden (PDI) model.

Mapping Global Ocean Surface Albedo from Satellite Observations: Models, Algorithms, and Datasets

NASA Astrophysics Data System (ADS)

Li, X.; Fan, X.; Yan, H.; Li, A.; Wang, M.; Qu, Y.

2018-04-01

Ocean surface albedo (OSA) is one of the important parameters in surface radiation budget (SRB). It is usually considered as a controlling factor of the heat exchange among the atmosphere and ocean. The temporal and spatial dynamics of OSA determine the energy absorption of upper level ocean water, and have influences on the oceanic currents, atmospheric circulations, and transportation of material and energy of hydrosphere. Therefore, various parameterizations and models have been developed for describing the dynamics of OSA. However, it has been demonstrated that the currently available OSA datasets cannot full fill the requirement of global climate change studies. In this study, we present a literature review on mapping global OSA from satellite observations. The models (parameterizations, the coupled ocean-atmosphere radiative transfer (COART), and the three component ocean water albedo (TCOWA)), algorithms (the estimation method based on reanalysis data, and the direct-estimation algorithm), and datasets (the cloud, albedo and radiation (CLARA) surface albedo product, dataset derived by the TCOWA model, and the global land surface satellite (GLASS) phase-2 surface broadband albedo product) of OSA have been discussed, separately.

Elasto-dynamic analysis of spinning nanodisks via a surface energy-based model

NASA Astrophysics Data System (ADS)

Kiani, Keivan

2016-07-01

Using the surface elasticity theory of Gurtin and Murdoch, in-plane vibrations of annular nanodisks due to their rotary motion are explored. By the imposition of non-classical boundary conditions on the innermost and outermost surfaces and employing Hamilton’s principle, the unknown elasto-dynamic fields of the bulk zone are determined via the finite element method. The roles of both nanodisk geometry and surface effect on the natural frequencies are addressed. Subsequently, forced vibrations of spinning nanodisks with fixed-free and free-free boundary conditions are comprehensively examined. The obtained results show that the maximum dynamic elastic fields grow in a parabolic manner as the steady angular velocity increases. By increasing the outermost radius, the maximum dynamic elastic field is magnified and the influence of the surface effect on the results reduced. This work can be considered as a pivotal step towards optimal design and dynamic analysis of nanorotors with disk-like parts, which are one of the basic building blocks of the upcoming advanced nanotechnologies.

Development of DPD coarse-grained models: From bulk to interfacial properties

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

Solano Canchaya, José G.; Dequidt, Alain, E-mail: alain.dequidt@univ-bpclermont.fr; Goujon, Florent

2016-08-07

A new Bayesian method was recently introduced for developing coarse-grain (CG) force fields for molecular dynamics. The CG models designed for dissipative particle dynamics (DPD) are optimized based on trajectory matching. Here we extend this method to improve transferability across thermodynamic conditions. We demonstrate the capability of the method by developing a CG model of n-pentane from constant-NPT atomistic simulations of bulk liquid phases and we apply the CG-DPD model to the calculation of the surface tension of the liquid-vapor interface over a large range of temperatures. The coexisting densities, vapor pressures, and surface tensions calculated with different CG andmore » atomistic models are compared to experiments. Depending on the database used for the development of the potentials, it is possible to build a CG model which performs very well in the reproduction of the surface tension on the orthobaric curve.« less

Diagnosing the influence of model structure on the simulation of water, energy and carbon fluxes on bark beetle infested forests

NASA Astrophysics Data System (ADS)

Gochis, D. J.; Gutmann, E. D.; Brooks, P. D.; Reed, D. E.; Ewers, B. E.; Pendall, E.; Biederman, J. A.; Harpold, A. A.; Barnard, H. R.; Hu, J.

2011-12-01

Forest dynamics induced by insect infestation can have a significant, local impact on plant physiological regulation of water, energy and carbon fluxes. Rapid mortality succeeded by more gradually varying land cover changes are presently thought to initiate a cascade of changes to water, energy and carbon budgets at the forest stand scale. Initial model sensitivity results have suggested very strong changes in land-atmosphere exchanges of these variables. Specifically, model results from the Noah land surface model, a relatively simple model, have suggested that loss of transpiration function may result in a nearly 50% increase in seasonal soil moisture values and similar increases in runoff production for locations in the central Rocky Mountains. However, differing model structures, such as the representation of plant canopy architecture, snowpack dynamics, dynamic vegetation and hillslope hydrologic processes, may significantly confound the synthesis of results from different modeling systems. We assess the performance of new suite of model simulations from three different land surface models of differing model structures and complexity levels against a comprehensive set of field observations of land surface flux and state variables. The focus of the analysis is in diagnosing how model structure influences changes in energy, water and carbon budget partitioning prior to and following insect infestation. Specific emphasis in this presentation is placed on verifying variables that characterize top of canopy and within canopy energy and water fluxes. We conclude the presentation with a set of recommendations about the advantages and disadvantages of various model structures in their simulation of insect driven forest dynamics.

User's manual for master: Modeling of aerodynamic surfaces by 3-dimensional explicit representation. [input to three dimensional computational fluid dynamics

NASA Technical Reports Server (NTRS)

Gibson, S. G.

1983-01-01

A system of computer programs was developed to model general three dimensional surfaces. Surfaces are modeled as sets of parametric bicubic patches. There are also capabilities to transform coordinates, to compute mesh/surface intersection normals, and to format input data for a transonic potential flow analysis. A graphical display of surface models and intersection normals is available. There are additional capabilities to regulate point spacing on input curves and to compute surface/surface intersection curves. Input and output data formats are described; detailed suggestions are given for user input. Instructions for execution are given, and examples are shown.

Dissipative gravitational bouncer on a vibrating surface

NASA Astrophysics Data System (ADS)

Espinoza Ortiz, J. S.; Lagos, R. E.

2017-12-01

We study the dynamical behavior of a particle flying under the influence of a gravitational field, with dissipation constant λ (Stokes-like), colliding successive times against a rigid surface vibrating harmonically with restitution coefficient α. We define re-scaled dimensionless dynamical variables, such as the relative particle velocity Ω with respect to the surface’s velocity; and the real parameter τ accounting for the temporal evolution of the system. At the particle-surface contact point and for the k‧th collision, we construct the mapping described by (τk ; Ω k ) in order to analyze the system’s nonlinear dynamical behavior. From the dynamical mapping, the fixed point trajectory is computed and its stability is analyzed. We find the dynamical behavior of the fixed point trajectory to be stable or unstable, depending on the values of the re-scaled vibrating surface amplitude Γ, the restitution coefficient α and the damping constant λ. Other important dynamical aspects such as the phase space volume and the one cycle vibrating surface (decomposed into absorbing and transmitting regions) are also discussed. Furthermore, the model rescues well known results in the limit λ = 0.

Surface diffusion of cyclic hydrocarbons on nickel

NASA Astrophysics Data System (ADS)

Silverwood, I. P.; Armstrong, J.

2018-08-01

Surface diffusion of adsorbates is difficult to measure on realistic systems, yet it is of fundamental interest in catalysis and coating reactions. quasielastic neutron scattering (QENS) was used to investigate the diffusion of cyclohexane and benzene adsorbed on a nickel metal sponge catalyst. Molecular dynamics simulations of benzene on a model (111) nickel surface showed localised motion with diffusion by intermittent jumps. The experimental data was therefore fitted to the Singwi-Sjölander model and activation energies for diffusion of 4.0 kJ mol-1 for benzene and 4.3 kJ mol-1 for cyclohexane were calculated for the two dimensional model. Limited motion out-of plane was seen in the dynamics simulations and is discussed, although the resolution of the scattering experiment is insufficient to quantify this. Good agreement is seen between the use of a perfect crystal as a model for a disordered system over short time scales, suggesting that simple models are adequate to describe diffusion over polycrystalline metal surfaces on the timescale of QENS measurement.

Adaptation of a general circulation model to ocean dynamics

NASA Technical Reports Server (NTRS)

Turner, R. E.; Rees, T. H.; Woodbury, G. E.

1976-01-01

A primitive-variable general circulation model of the ocean was formulated in which fast external gravity waves are suppressed with rigid-lid surface constraint pressires which also provide a means for simulating the effects of large-scale free-surface topography. The surface pressure method is simpler to apply than the conventional stream function models, and the resulting model can be applied to both global ocean and limited region situations. Strengths and weaknesses of the model are also presented.

Modeling capillary bridge dynamics and crack healing between surfaces of nanoscale roughness

NASA Astrophysics Data System (ADS)

Soylemez, Emrecan; de Boer, Maarten P.

2017-12-01

Capillary bridge formation between adjacent surfaces in humid environments is a ubiquitous phenomenon. It strongly influences tribological performance with respect to adhesion, friction and wear. Only a few studies, however, assess effects due to capillary dynamics. Here we focus on how capillary bridge evolution influences crack healing rates. Experimental results indicated a logarithmic decrease in average crack healing velocity as the energy release rate increases. Our objective is to model that trend. We assume that capillary dynamics involve two mechanisms: capillary bridge growth and subsequently nucleation followed by growth. We show that by incorporating interface roughness details and the presence of an adsorbed water layer, the behavior of capillary force dynamics can be understood quantitatively. We identify three important regimes that control the healing process, namely bridge growth, combined bridge growth and nucleation, and finally bridge nucleation. To fully capture the results, however, the theoretical model for nucleation time required an empirical modification. Our model enables significant insight into capillary bridge dynamics, with a goal of attaining a predictive capability for this important microelectromechanical systems (MEMS) reliability failure mechanism.

Quantum and classical dynamics of water dissociation on Ni(111): A test of the site-averaging model in dissociative chemisorption of polyatomic molecules

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

Jiang, Bin; Department of Chemical Physics, University of Science and Technology of China, Hefei 230026; Guo, Hua, E-mail: hguo@unm.edu

Recently, we reported the first highly accurate nine-dimensional global potential energy surface (PES) for water interacting with a rigid Ni(111) surface, built on a large number of density functional theory points [B. Jiang and H. Guo, Phys. Rev. Lett. 114, 166101 (2015)]. Here, we investigate site-specific reaction probabilities on this PES using a quasi-seven-dimensional quantum dynamical model. It is shown that the site-specific reactivity is largely controlled by the topography of the PES instead of the barrier height alone, underscoring the importance of multidimensional dynamics. In addition, the full-dimensional dissociation probability is estimated by averaging fixed-site reaction probabilities with appropriatemore » weights. To validate this model and gain insights into the dynamics, additional quasi-classical trajectory calculations in both full and reduced dimensions have also been performed and important dynamical factors such as the steering effect are discussed.« less

Between soap bubbles and vesicles: The dynamics of freely floating smectic bubbles

NASA Astrophysics Data System (ADS)

Stannarius, Ralf; May, Kathrin; Harth, Kirsten; Trittel, Torsten

2013-03-01

The dynamics of droplets and bubbles, particularly on microscopic scales, are of considerable importance in biological, environmental, and technical contexts. We introduce freely floating bubbles of smectic liquid crystals and report their unique dynamic properties. Smectic bubbles can be used as simple models for dynamic studies of fluid membranes. In equilibrium, they form minimal surfaces like soap films. However, shape transformations of closed smectic membranes that change the surface area involve the formation and motion of molecular layer dislocations. These processes are slow compared to the capillary wave dynamics, therefore the effective surface tension is zero like in vesicles. Freely floating smectic bubbles are prepared from collapsing catenoid films and their dynamics is studied with optical high-speed imaging. Experiments are performed under normal gravity and in microgravity during parabolic flights. Supported by DLR within grant OASIS-Co.

Molecular Dynamics Modeling and Simulation of Diamond Cutting of Cerium.

PubMed

Zhang, Junjie; Zheng, Haibing; Shuai, Maobing; Li, Yao; Yang, Yang; Sun, Tao

2017-12-01

The coupling between structural phase transformations and dislocations induces challenges in understanding the deformation behavior of metallic cerium at the nanoscale. In the present work, we elucidate the underlying mechanism of cerium under ultra-precision diamond cutting by means of molecular dynamics modeling and simulations. The molecular dynamics model of diamond cutting of cerium is established by assigning empirical potentials to describe atomic interactions and evaluating properties of two face-centered cubic cerium phases. Subsequent molecular dynamics simulations reveal that dislocation slip dominates the plastic deformation of cerium under the cutting process. In addition, the analysis based on atomic radial distribution functions demonstrates that there are trivial phase transformations from the γ-Ce to the δ-Ce occurred in both machined surface and formed chip. Following investigations on machining parameter dependence reveal the optimal machining conditions for achieving high quality of machined surface of cerium.

Molecular Dynamics Modeling and Simulation of Diamond Cutting of Cerium

NASA Astrophysics Data System (ADS)

Zhang, Junjie; Zheng, Haibing; Shuai, Maobing; Li, Yao; Yang, Yang; Sun, Tao

2017-07-01

The coupling between structural phase transformations and dislocations induces challenges in understanding the deformation behavior of metallic cerium at the nanoscale. In the present work, we elucidate the underlying mechanism of cerium under ultra-precision diamond cutting by means of molecular dynamics modeling and simulations. The molecular dynamics model of diamond cutting of cerium is established by assigning empirical potentials to describe atomic interactions and evaluating properties of two face-centered cubic cerium phases. Subsequent molecular dynamics simulations reveal that dislocation slip dominates the plastic deformation of cerium under the cutting process. In addition, the analysis based on atomic radial distribution functions demonstrates that there are trivial phase transformations from the γ-Ce to the δ-Ce occurred in both machined surface and formed chip. Following investigations on machining parameter dependence reveal the optimal machining conditions for achieving high quality of machined surface of cerium.

Range expansion through fragmented landscapes under a variable climate

PubMed Central

Bennie, Jonathan; Hodgson, Jenny A; Lawson, Callum R; Holloway, Crispin TR; Roy, David B; Brereton, Tom; Thomas, Chris D; Wilson, Robert J

2013-01-01

Ecological responses to climate change may depend on complex patterns of variability in weather and local microclimate that overlay global increases in mean temperature. Here, we show that high-resolution temporal and spatial variability in temperature drives the dynamics of range expansion for an exemplar species, the butterfly Hesperia comma. Using fine-resolution (5 m) models of vegetation surface microclimate, we estimate the thermal suitability of 906 habitat patches at the species' range margin for 27 years. Population and metapopulation models that incorporate this dynamic microclimate surface improve predictions of observed annual changes to population density and patch occupancy dynamics during the species' range expansion from 1982 to 2009. Our findings reveal how fine-scale, short-term environmental variability drives rates and patterns of range expansion through spatially localised, intermittent episodes of expansion and contraction. Incorporating dynamic microclimates can thus improve models of species range shifts at spatial and temporal scales relevant to conservation interventions. PMID:23701124

Research activities of the Geodynamics Branch

NASA Technical Reports Server (NTRS)

Kahn, W. D. (Editor); Cohen, S. C. (Editor)

1984-01-01

A broad spectrum of geoscience disciplines including space geodesy, geopotential field modeling, tectonophysics, and dynamic oceanography are discussed. The NASA programs, include the Geodynamics and Ocean Programs, the Crustal Dynamics Project, the proposed Ocean Topography Experiment (TOPEX), and the Geopotential Research Mission (GRM). The papers are grouped into chapters on Crustal Movements, Global Earth Dynamics, Gravity Field Model Development, Sea Surface Topography, and Advanced Studies.

Role of oxygen functional groups for structure and dynamics of interfacial water on low rank coal surface: a molecular dynamics simulation

NASA Astrophysics Data System (ADS)

You, Xiaofang; Wei, Hengbin; Zhu, Xianchang; Lyu, Xianjun; Li, Lin

2018-07-01

Molecular dynamics simulations were employed to study the effects of oxygen functional groups for structure and dynamics properties of interfacial water molecules on the subbituminous coal surface. Because of complex composition and structure, the graphite surface modified by hydroxyl, carboxyl and carbonyl groups was used to represent the surface model of subbituminous coal according to XPS results, and the composing proportion for hydroxyl, carbonyl and carboxyl is 25:3:5. The hydration energy with -386.28 kJ/mol means that the adsorption process between water and coal surface is spontaneous. Density profiles for oxygen atoms and hydrogen atoms indicate that the coal surface properties affect the structural and dynamic characteristics of the interfacial water molecules. The interfacial water exhibits much more ordering than bulk water. The results of radial distribution functions, mean square displacement and local self-diffusion coefficient for water molecule related to three oxygen moieties confirmed that the water molecules prefer to absorb with carboxylic groups, and adsorption of water molecules at the hydroxyl and carbonyl is similar.

Modelling carbon fluxes of forest and grassland ecosystems in Western Europe using the CARAIB dynamic vegetation model: evaluation against eddy covariance data.

NASA Astrophysics Data System (ADS)

Henrot, Alexandra-Jane; François, Louis; Dury, Marie; Hambuckers, Alain; Jacquemin, Ingrid; Minet, Julien; Tychon, Bernard; Heinesch, Bernard; Horemans, Joanna; Deckmyn, Gaby

2015-04-01

Eddy covariance measurements are an essential resource to understand how ecosystem carbon fluxes react in response to climate change, and to help to evaluate and validate the performance of land surface and vegetation models at regional and global scale. In the framework of the MASC project (« Modelling and Assessing Surface Change impacts on Belgian and Western European climate »), vegetation dynamics and carbon fluxes of forest and grassland ecosystems simulated by the CARAIB dynamic vegetation model (Dury et al., iForest - Biogeosciences and Forestry, 4:82-99, 2011) are evaluated and validated by comparison of the model predictions with eddy covariance data. Here carbon fluxes (e.g. net ecosystem exchange (NEE), gross primary productivity (GPP), and ecosystem respiration (RECO)) and evapotranspiration (ET) simulated with the CARAIB model are compared with the fluxes measured at several eddy covariance flux tower sites in Belgium and Western Europe, chosen from the FLUXNET global network (http://fluxnet.ornl.gov/). CARAIB is forced either with surface atmospheric variables derived from the global CRU climatology, or with in situ meteorological data. Several tree (e.g. Pinus sylvestris, Fagus sylvatica, Picea abies) and grass species (e.g. Poaceae, Asteraceae) are simulated, depending on the species encountered on the studied sites. The aim of our work is to assess the model ability to reproduce the daily, seasonal and interannual variablility of carbon fluxes and the carbon dynamics of forest and grassland ecosystems in Belgium and Western Europe.

Oil Spill Hydrodynamics, from Droplets to Oil Slicks

NASA Astrophysics Data System (ADS)

Moghimi, S.; Restrepo, J. M.; Venkataramani, S.

2016-02-01

A fundamental challenge in proposing a model for the fate of oil in oceans relates to the extreme spatio-temporal scales required by hazard/abatement studies. We formulate a multiscale model that takes into account droplet dynamics and its effects on submerged and surface oil. The upscaling of the microphysics, within a mass conserving model, allows us to resolve oil mass exchanges between the oil found on the turbulent ocean surface and the ocean interior. In addition to presenting the model and the mutl-scale methodology we apply this upscaling to the evolution of oil on shelves and show how nearshore oil spills demonstrate dynamics that are not easily captured by oil models based on idealized tracer dynamics. In particular we demonstrate how oil can slow down and even park itself under certain oceanic conditions. An explanation for this phenomenon is proposed as well.

An intercomparison of GCM and RCM dynamical downscaling for characterizing the hydroclimatology of California and Nevada

NASA Astrophysics Data System (ADS)

Xu, Z.; Rhoades, A.; Johansen, H.; Ullrich, P. A.; Collins, W. D.

2017-12-01

Dynamical downscaling is widely used to properly characterize regional surface heterogeneities that shape the local hydroclimatology. However, the factors in dynamical downscaling, including the refinement of model horizontal resolution, large-scale forcing datasets and dynamical cores, have not been fully evaluated. Two cutting-edge global-to-regional downscaling methods are used to assess these, specifically the variable-resolution Community Earth System Model (VR-CESM) and the Weather Research & Forecasting (WRF) regional climate model, under different horizontal resolutions (28, 14, and 7 km). Two groups of WRF simulations are driven by either the NCEP reanalysis dataset (WRF_NCEP) or VR-CESM outputs (WRF_VRCESM) to evaluate the effects of the large-scale forcing datasets. The impacts of dynamical core are assessed by comparing the VR-CESM simulations to the coupled WRF_VRCESM simulations with the same physical parameterizations and similar grid domains. The simulated hydroclimatology (i.e., total precipitation, snow cover, snow water equivalent and surface temperature) are compared with the reference datasets. The large-scale forcing datasets are critical to the WRF simulations in more accurately simulating total precipitation, SWE and snow cover, but not surface temperature. Both the WRF and VR-CESM results highlight that no significant benefit is found in the simulated hydroclimatology by just increasing horizontal resolution refinement from 28 to 7 km. Simulated surface temperature is sensitive to the choice of dynamical core. WRF generally simulates higher temperatures than VR-CESM, alleviates the systematic cold bias of DJF temperatures over the California mountain region, but overestimates the JJA temperature in California's Central Valley.

Molecular Dynamics Modeling of Ionic Liquids in Electrospray Propulsion

DTIC Science & Technology

2010-06-01

surface equipotential and a correspondes to the model sphere radius. It can also see that the applied voltage is necessary to obtain the surface ...between the tip and extractor, the equipotential line whose angle relative to the x axis is approximately 49 degrees is selected as the Taylor cone surface ...model. Then the electric field on such equipotential line is found by equation 7.5 and used for the distribution along the cone surface . This

Water surface modeling from a single viewpoint video.

PubMed

Li, Chuan; Pickup, David; Saunders, Thomas; Cosker, Darren; Marshall, David; Hall, Peter; Willis, Philip

2013-07-01

We introduce a video-based approach for producing water surface models. Recent advances in this field output high-quality results but require dedicated capturing devices and only work in limited conditions. In contrast, our method achieves a good tradeoff between the visual quality and the production cost: It automatically produces a visually plausible animation using a single viewpoint video as the input. Our approach is based on two discoveries: first, shape from shading (SFS) is adequate to capture the appearance and dynamic behavior of the example water; second, shallow water model can be used to estimate a velocity field that produces complex surface dynamics. We will provide qualitative evaluation of our method and demonstrate its good performance across a wide range of scenes.

Surface Modeling, Grid Generation, and Related Issues in Computational Fluid Dynamic (CFD) Solutions

NASA Technical Reports Server (NTRS)

Choo, Yung K. (Compiler)

1995-01-01

The NASA Steering Committee for Surface Modeling and Grid Generation (SMAGG) sponsored a workshop on surface modeling, grid generation, and related issues in Computational Fluid Dynamics (CFD) solutions at Lewis Research Center, Cleveland, Ohio, May 9-11, 1995. The workshop provided a forum to identify industry needs, strengths, and weaknesses of the five grid technologies (patched structured, overset structured, Cartesian, unstructured, and hybrid), and to exchange thoughts about where each technology will be in 2 to 5 years. The workshop also provided opportunities for engineers and scientists to present new methods, approaches, and applications in SMAGG for CFD. This Conference Publication (CP) consists of papers on industry overview, NASA overview, five grid technologies, new methods/ approaches/applications, and software systems.

Characterizing observed circulation patterns within a bay using HF radar and numerical model simulations

NASA Astrophysics Data System (ADS)

O'Donncha, Fearghal; Hartnett, Michael; Nash, Stephen; Ren, Lei; Ragnoli, Emanuele

2015-02-01

In this study, High Frequency Radar (HFR), observations in conjunction with numerical model simulations investigate surface flow dynamics in a tidally-active, wind-driven bay; Galway Bay situated on the West coast of Ireland. Comparisons against ADCP sensor data permit an independent assessment of HFR and model performance, respectively. Results show root-mean-square (rms) differences in the range 10 - 12cm/s while model rms equalled 12 - 14cm/s. Subsequent analysis focus on a detailed comparison of HFR and model output. Harmonic analysis decompose both sets of surface currents based on distinct flow process, enabling a correlation analysis between the resultant output and dominant forcing parameters. Comparisons of barotropic model simulations and HFR tidal signal demonstrate consistently high agreement, particularly of the dominant M2 tidal signal. Analysis of residual flows demonstrate considerably poorer agreement, with the model failing to replicate complex flows. A number of hypotheses explaining this discrepancy are discussed, namely: discrepancies between regional-scale, coastal-ocean models and globally-influenced bay-scale dynamics; model uncertainties arising from highly-variable wind-driven flows across alarge body of water forced by point measurements of wind vectors; and the high dependence of model simulations on empirical wind-stress coefficients. The research demonstrates that an advanced, widely-used hydro-environmental model does not accurately reproduce aspects of surface flow processes, particularly with regards wind forcing. Considering the significance of surface boundary conditions in both coastal and open ocean dynamics, the viability of using a systematic analysis of results to improve model predictions is discussed.

Virtual Environment for Surgical Room of the Future.

DTIC Science & Technology

1995-10-01

Design; 1. wire frame Dynamic Interaction 2. surface B. Acoustic Three-Dimensional Modeling; 3. solid based on radiosity modeling B. Dynamic...infection control of people and E. Rendering and Shadowing equipment 1. ray tracing D. Fluid Flow 2. radiosity F. Animation OBJECT RECOGNITION COMMUNICATION

Three-Dimensional Smoothed Particle Hydrodynamics Modeling of Preferential Flow Dynamics at Fracture Intersections on a High-Performance Computing Platform

NASA Astrophysics Data System (ADS)

Kordilla, J.; Bresinsky, L. T.

2017-12-01

The physical mechanisms that govern preferential flow dynamics in unsaturated fractured rock formations are complex and not well understood. Fracture intersections may act as an integrator of unsaturated flow, leading to temporal delay, intermittent flow and partitioning dynamics. In this work, a three-dimensional Pairwise-Force Smoothed Particle Hydrodynamics (PF-SPH) model is being applied in order to simulate gravity-driven multiphase flow at synthetic fracture intersections. SPH, as a meshless Lagrangian method, is particularly suitable for modeling deformable interfaces, such as three-phase contact dynamics of droplets, rivulets and free-surface films. The static and dynamic contact angle can be recognized as the most important parameter of gravity-driven free-surface flow. In SPH, surface tension and adhesion naturally emerges from the implemented pairwise fluid-fluid (sff) and solid-fluid (ssf) interaction force. The model was calibrated to a contact angle of 65°, which corresponds to the wetting properties of water on Poly(methyl methacrylate). The accuracy of the SPH simulations were validated against an analytical solution of Poiseuille flow between two parallel plates and against laboratory experiments. Using the SPH model, the complex flow mode transitions from droplet to rivulet flow of an experimental study were reproduced. Additionally, laboratory dimensionless scaling experiments of water droplets were successfully replicated in SPH. Finally, SPH simulations were used to investigate the partitioning dynamics of single droplets into synthetic horizontal fractures with various apertures (Δdf = 0, 0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0 mm) and offsets (Δdoff = -1.5, -1.0, -0.5, 0, 1.0, 2.0, 3.0 mm). Fluid masses were measured in the domains R1, R2 and R3. The perfect conditions of ideally smooth surfaces and the SPH inherent advantage of particle tracking allow the recognition of small scale partitioning mechanisms and its importance for bulk flow behavior.

VOF simulations of the contact angle dynamics during the drop spreading: standard models and a new wetting force model.

PubMed

Malgarinos, Ilias; Nikolopoulos, Nikolaos; Marengo, Marco; Antonini, Carlo; Gavaises, Manolis

2014-10-01

In this study,a novel numerical implementation for the adhesion of liquid droplets impacting normally on solid dry surfaces is presented. The advantage of this new approach, compared to the majority of existing models, is that the dynamic contact angle forming during the surface wetting process is not inserted as a boundary condition, but is derived implicitly by the induced fluid flow characteristics (interface shape) and the adhesion physics of the gas-liquid-surface interface (triple line), starting only from the advancing and receding equilibrium contact angles. These angles are required in order to define the wetting properties of liquid phases when interacting with a solid surface. The physical model is implemented as a source term in the momentum equation of a Navier-Stokes CFD flow solver as an "adhesion-like" force which acts at the triple-phase contact line as a result of capillary interactions between the liquid drop and the solid substrate. The numerical simulations capture the liquid-air interface movement by considering the volume of fluid (VOF) method and utilizing an automatic local grid refinement technique in order to increase the accuracy of the predictions at the area of interest, and simultaneously minimize numerical diffusion of the interface. The proposed model is validated against previously reported experimental data of normal impingement of water droplets on dry surfaces at room temperature. A wide range of impact velocities, i.e. Weber numbers from as low as 0.2 up to 117, both for hydrophilic (θadv=10°-70°) and hydrophobic (θadv=105°-120°) surfaces, has been examined. Predictions include in addition to droplet spreading dynamics, the estimation of the dynamic contact angle; the latter is found in reasonable agreement against available experimental measurements. It is thus concluded that theimplementation of this model is an effective approach for overcoming the need of a pre-defined dynamic contact angle law, frequently adopted as an approximate boundary condition for such simulations. Clearly, this model is mostly influential during the spreading phase for the cases of low We number impacts (We<˜80) since for high impact velocities, inertia dominates significantly over capillary forces in the initial phase of spreading. Copyright © 2014 Elsevier B.V. All rights reserved.

Adaptive output feedback control of flexible-joint robots using neural networks: dynamic surface design approach.

PubMed

Yoo, Sung Jin; Park, Jin Bae; Choi, Yoon Ho

2008-10-01

In this paper, we propose a new robust output feedback control approach for flexible-joint electrically driven (FJED) robots via the observer dynamic surface design technique. The proposed method only requires position measurements of the FJED robots. To estimate the link and actuator velocity information of the FJED robots with model uncertainties, we develop an adaptive observer using self-recurrent wavelet neural networks (SRWNNs). The SRWNNs are used to approximate model uncertainties in both robot (link) dynamics and actuator dynamics, and all their weights are trained online. Based on the designed observer, the link position tracking controller using the estimated states is induced from the dynamic surface design procedure. Therefore, the proposed controller can be designed more simply than the observer backstepping controller. From the Lyapunov stability analysis, it is shown that all signals in a closed-loop adaptive system are uniformly ultimately bounded. Finally, the simulation results on a three-link FJED robot are presented to validate the good position tracking performance and robustness of the proposed control system against payload uncertainties and external disturbances.

System Dynamics Modeling of Transboundary Systems: The Bear River Basin Model

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

Gerald Sehlke; Jake Jacobson

2005-09-01

System dynamics is a computer-aided approach to evaluating the interrelationships of different components and activities within complex systems. Recently, system dynamics models have been developed in areas such as policy design, biological and medical modeling, energy and the environmental analysis, and in various other areas in the natural and social sciences. The Idaho National Engineering and Environmental Laboratory, a multi-purpose national laboratory managed by the Department of Energy, has developed a systems dynamics model in order to evaluate its utility for modeling large complex hydrological systems. We modeled the Bear River Basin, a transboundary basin that includes portions of Idaho,more » Utah and Wyoming. We found that system dynamics modeling is very useful for integrating surface water and groundwater data and for simulating the interactions between these sources within a given basin. In addition, we also found system dynamics modeling is useful for integrating complex hydrologic data with other information (e.g., policy, regulatory and management criteria) to produce a decision support system. Such decision support systems can allow managers and stakeholders to better visualize the key hydrologic elements and management constraints in the basin, which enables them to better understand the system via the simulation of multiple “what-if” scenarios. Although system dynamics models can be developed to conduct traditional hydraulic/hydrologic surface water or groundwater modeling, we believe that their strength lies in their ability to quickly evaluate trends and cause–effect relationships in large-scale hydrological systems; for integrating disparate data; for incorporating output from traditional hydraulic/hydrologic models; and for integration of interdisciplinary data, information and criteria to support better management decisions.« less

System Dynamics Modeling of Transboundary Systems: the Bear River Basin Model

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

Gerald Sehlke; Jacob J. Jacobson

2005-09-01

System dynamics is a computer-aided approach to evaluating the interrelationships of different components and activities within complex systems. Recently, system dynamics models have been developed in areas such as policy design, biological and medical modeling, energy and the environmental analysis, and in various other areas in the natural and social sciences. The Idaho National Engineering and Environmental Laboratory, a multi-purpose national laboratory managed by the Department of Energy, has developed a systems dynamics model in order to evaluate its utility for modeling large complex hydrological systems. We modeled the Bear River Basin, a transboundary basin that includes portions of Idaho,more » Utah and Wyoming. We found that system dynamics modeling is very useful for integrating surface water and ground water data and for simulating the interactions between these sources within a given basin. In addition, we also found system dynamics modeling is useful for integrating complex hydrologic data with other information (e.g., policy, regulatory and management criteria) to produce a decision support system. Such decision support systems can allow managers and stakeholders to better visualize the key hydrologic elements and management constraints in the basin, which enables them to better understand the system via the simulation of multiple “what-if” scenarios. Although system dynamics models can be developed to conduct traditional hydraulic/hydrologic surface water or ground water modeling, we believe that their strength lies in their ability to quickly evaluate trends and cause–effect relationships in large-scale hydrological systems; for integrating disparate data; for incorporating output from traditional hydraulic/hydrologic models; and for integration of interdisciplinary data, information and criteria to support better management decisions.« less

Surrogate Based Uni/Multi-Objective Optimization and Distribution Estimation Methods

NASA Astrophysics Data System (ADS)

Gong, W.; Duan, Q.; Huo, X.

2017-12-01

Parameter calibration has been demonstrated as an effective way to improve the performance of dynamic models, such as hydrological models, land surface models, weather and climate models etc. Traditional optimization algorithms usually cost a huge number of model evaluations, making dynamic model calibration very difficult, or even computationally prohibitive. With the help of a serious of recently developed adaptive surrogate-modelling based optimization methods: uni-objective optimization method ASMO, multi-objective optimization method MO-ASMO, and probability distribution estimation method ASMO-PODE, the number of model evaluations can be significantly reduced to several hundreds, making it possible to calibrate very expensive dynamic models, such as regional high resolution land surface models, weather forecast models such as WRF, and intermediate complexity earth system models such as LOVECLIM. This presentation provides a brief introduction to the common framework of adaptive surrogate-based optimization algorithms of ASMO, MO-ASMO and ASMO-PODE, a case study of Common Land Model (CoLM) calibration in Heihe river basin in Northwest China, and an outlook of the potential applications of the surrogate-based optimization methods.

On the role of surface friction in tropical cyclone intensification

NASA Astrophysics Data System (ADS)

Wang, Yuqing

2017-04-01

Recent studies have debated on whether surface friction is positive or negative to tropical cyclone intensification in the view on angular momentum budget. That means whether the frictionally induced inward angular momentum transport can overcome the loss of angular momentum to the surface due to surface friction itself. Although this issue is still under debate, this study investigates another implicit dynamical effect, which modifies the radial location and strength of eyewall convection. We found that moderate surface friction is necessary for rapid intensity of tropical cyclones. This is demonstrated first by a simple coupled dynamical system that couples a multi-level boundary layer model and a shallow water equation model above with mass source parameterized by mass flux from the boundary layer model below, and then by a full physics model. The results show that surface friction leads to the inward penetration of inflow under the eyewall, shift the boundary layer mass convergence slightly inside the radius of maximum wind, and enhance the upward mass flux, and thus diabatic heating in the eyewall and intensification rate of a TC. This intensification process is different from the direct angular momentum budget previously used to explain the role of surface friction in tropical cyclone intensification.

A calving law for ice sheet models; Investigating the role of surface melt on dynamics of Greenland outlet glaciers

NASA Astrophysics Data System (ADS)

Nick, F. M.; van der Veen, C. J.; Vieli, A.

2008-12-01

alving of icebergs accounts for perhaps as much as half the ice transferred from the Greenland Ice Sheet into the surrounding ocean, and virtually all of the ice loss from the Antarctic Ice Sheet. We have formulated a calving model that can be readily incorporated into time-evolving numerical ice-flow models. Our model is based on downward penetration of water-filled surface crevasses and upward propagation of basal crevasses. A calving event occurs when the depth of the surface crevasse (which increases as melting progresses through the summer) reaches the height of the basal crevasse. Our numerical ice sheet model is able to reproduce observed seasonal changes of Greenland outlet glaciers, such as fluctuations in flow speed and terminus positions. We have applied the model to Helheim Glacier on the east coast, and Petermann Glacier in the northwest. Our model suggests that rapid retreat of the claving front is highly affected by the amplified calving rate due to increasing water level in surface crevasses during warmer summers. Our results show little response to seasonally enhanced basal lubrication from surface melt. This modeling study provides insights into the role of surface and basal hydrology to ice sheet dynamics and on how to incorporate calving in ice sheet models and therefore advances our ability to predict future ice sheet change.

Exploring the Angstrom Excursion of Au Nanoparticles Excited away from a Metal Surface by an Impulsive Acoustic Perturbation.

PubMed

Kim, Ji-Wan; Kovalenko, Oleksandr; Liu, Yu; Bigot, Jean-Yves

2016-12-27

We report the anharmonic angstrom dynamics of self-assembled Au nanoparticles (Au:NPs) away from a nickel surface on top of which they are coupled by their near-field interaction. The deformation and the oscillatory excursion away from the surface are induced by picosecond acoustic pulses and probed at the surface plasmon resonance with femtosecond laser pulses. The overall dynamics are due to an efficient transfer of translational momentum from the Ni surface to the Au:NPs, therefore avoiding usual thermal effects and energy redistribution among the electronic states. Two modes are clearly revealed by the oscillatory shift of the Au:NPs surface plasmon resonance-the quadrupole deformation mode due to the transient ellipsoid shape and the excursion mode when the Au:NPs bounce away from the surface. We find that, contrary to the quadrupole mode, the excursion mode is sensitive to the distance between Au:NPs and Ni. Importantly, the excursion dynamics display a nonsinusoidal motion that cannot be explained by a standard harmonic potential model. A detailed modeling of the dynamics using a Hamaker-type Lennard-Jones potential between two media is performed, showing that each Au:NPs coherently evolves in a nearly one-dimensional anharmonic potential with a total excursion of ∼1 Å. This excursion induces a shift of the surface plasmon resonance detectable because of the strong near-field interaction. This general method of observing the spatiotemporal dynamics with angstrom and picosecond resolutions can be directly transposed to many nanostructures or biosystems to reveal the interaction and contact mechanism with their surrounding medium while remaining in their fundamental electronic states.

Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics

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

Jackson, Bret, E-mail: jackson@chem.umass.edu; Nattino, Francesco; Kroes, Geert-Jan

The dissociative chemisorption of methane on metal surfaces is of great practical and fundamental importance. Not only is it the rate-limiting step in the steam reforming of natural gas, the reaction exhibits interesting mode-selective behavior and a strong dependence on the temperature of the metal. We present a quantum model for this reaction on Ni(100) and Ni(111) surfaces based on the reaction path Hamiltonian. The dissociative sticking probabilities computed using this model agree well with available experimental data with regard to variation with incident energy, substrate temperature, and the vibrational state of the incident molecule. We significantly expand the vibrationalmore » basis set relative to earlier studies, which allows reaction probabilities to be calculated for doubly excited initial vibrational states, though it does not lead to appreciable changes in the reaction probabilities for singly excited initial states. Sudden models used to treat the center of mass motion parallel to the surface are compared with results from ab initio molecular dynamics and found to be reasonable. Similar comparisons for molecular rotation suggest that our rotationally adiabatic model is incorrect, and that sudden behavior is closer to reality. Such a model is proposed and tested. A model for predicting mode-selective behavior is tested, with mixed results, though we find it is consistent with experimental studies of normal vs. total (kinetic) energy scaling. Models for energy transfer into lattice vibrations are also examined.« less

Silica nano-particle super-hydrophobic surfaces: the effects of surface morphology and trapped air pockets on hydrodynamic drainage forces.

PubMed

Chan, Derek Y C; Uddin, Md Hemayet; Cho, Kwun L; Liaw, Irving I; Lamb, Robert N; Stevens, Geoffrey W; Grieser, Franz; Dagastine, Raymond R

2009-01-01

We used atomic force microscopy to study dynamic forces between a rigid silica sphere (radius approximately 45 microm) and a silica nano-particle super-hydrophobic surface (SNP-SHS) in aqueous electrolyte, in the presence and absence of surfactant. Characterization of the SNP-SHS surface in air showed a surface roughness of up to two microns. When in contact with an aqueous phase, the SNP-SHS traps large, soft and stable air pockets in the surface interstices. The inherent roughness of the SNP-SHS together with the trapped air pockets are responsible for the superior hydrophobic properties of SNP-SHS such as high equilibrium contact angle (> 140 degrees) of water sessile drops on these surfaces and low hydrodynamic friction as observed in force measurements. We also observed that added surfactants adsorbed at the surface of air pockets magnified hydrodynamic interactions involving the SNP-SHS. The dynamic forces between the same silica sphere and a laterally smooth mica surface showed that the fitted Navier slip lengths using the Reynolds lubrication model were an order of magnitude larger than the length scale of the sphere surface roughness. The surface roughness and the lateral heterogeneity of the SNP-SHS hindered attempts to characterize the dynamic response using the Reynolds lubrication model even when augmented with a Navier slip boundary.

A study of frontal dynamics with application to the Australian summertime 'cool change'

NASA Technical Reports Server (NTRS)

Reeder, Michael J.; Smith, Roger K.

1987-01-01

The dynamics of frontal evolution is examined in terms of the Australian summertime cool change using a two-dimensional numerical model. The model is synthesized from observational data on surface cold fronts obtained during the Australian Cold Fronts Research Program, and the model develops a quasi-steady surface cold front during the 24 hours of integration. The characteristics of this model are compared with those of a kinematic model; it is observed that the features of the two models correspond. The two-dimensional and kinematic models are also compared with a 24-hour prediction of the cold front of February 1983 using the three-dimensional nested-grid model of the Australian Numerical Meteorology Research Center, developed by Gauntlett et al. (1984). Good correlation between these models is detected.

The dynamics of charge transfer with and without a barrier: A very simplified model of cyclic voltammetry.

PubMed

Ouyang, Wenjun; Subotnik, Joseph E

2017-05-07

Using the Anderson-Holstein model, we investigate charge transfer dynamics between a molecule and a metal surface for two extreme cases. (i) With a large barrier, we show that the dynamics follow a single exponential decay as expected; (ii) without any barrier, we show that the dynamics are more complicated. On the one hand, if the metal-molecule coupling is small, single exponential dynamics persist. On the other hand, when the coupling between the metal and the molecule is large, the dynamics follow a biexponential decay. We analyze the dynamics using the Smoluchowski equation, develop a simple model, and explore the consequences of biexponential dynamics for a hypothetical cyclic voltammetry experiment.

Unsteady surface pressure measurements on a slender delta wing undergoing limit cycle wing rock

NASA Technical Reports Server (NTRS)

Arena, Andrew S., Jr.; Nelson, Robert C.

1991-01-01

An experimental investigation of slender wing limit cycle motion known as wing rock was investigated using two unique experimental systems. Dynamic roll moment measurements and visualization data on the leading edge vortices were obtained using a free to roll apparatus that incorporates an airbearing spindle. In addition, both static and unsteady surface pressure data was measured on the top and bottom surfaces of the model. To obtain the unsteady surface pressure data a new computer controller drive system was developed to accurately reproduce the free to roll time history motions. The data from these experiments include, roll angle time histories, vortex trajectory data on the position of the vortices relative to the model's surface, and surface pressure measurements as a function of roll angle when the model is stationary or undergoing a wing rock motion. The roll time history data was numerically differentiated to determine the dynamic roll moment coefficient. An analysis of these data revealed that the primary mechanism for the limit cycle behavior was a time lag in the position of the vortices normal to the wing surface.

Integration of nitrogen dynamics into the Noah-MP land surface model v1.1 for climate and environmental predictions

DOE PAGES

Cai, X.; Yang, Z. -L.; Fisher, J. B.; ...

2016-01-15

Climate and terrestrial biosphere models consider nitrogen an important factor in limiting plant carbon uptake, while operational environmental models view nitrogen as the leading pollutant causing eutrophication in water bodies. The community Noah land surface model with multi-parameterization options (Noah-MP) is unique in that it is the next-generation land surface model for the Weather Research and Forecasting meteorological model and for the operational weather/climate models in the National Centers for Environmental Prediction. Here in this study, we add a capability to Noah-MP to simulate nitrogen dynamics by coupling the Fixation and Uptake of Nitrogen (FUN) plant model and the Soilmore » and Water Assessment Tool (SWAT) soil nitrogen dynamics. This model development incorporates FUN's state-of-the-art concept of carbon cost theory and SWAT's strength in representing the impacts of agricultural management on the nitrogen cycle. Parameterizations for direct root and mycorrhizal-associated nitrogen uptake, leaf retranslocation, and symbiotic biological nitrogen fixation are employed from FUN, while parameterizations for nitrogen mineralization, nitrification, immobilization, volatilization, atmospheric deposition, and leaching are based on SWAT. The coupled model is then evaluated at the Kellogg Biological Station – a Long Term Ecological Research site within the US Corn Belt. Results show that the model performs well in capturing the major nitrogen state/flux variables (e.g., soil nitrate and nitrate leaching). Furthermore, the addition of nitrogen dynamics improves the modeling of net primary productivity and evapotranspiration. The model improvement is expected to advance the capability of Noah-MP to simultaneously predict weather and water quality in fully coupled Earth system models.« less

Integration of nitrogen dynamics into the Noah-MP land surface model v1.1 for climate and environmental predictions

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

Cai, X.; Yang, Z. -L.; Fisher, J. B.

Climate and terrestrial biosphere models consider nitrogen an important factor in limiting plant carbon uptake, while operational environmental models view nitrogen as the leading pollutant causing eutrophication in water bodies. The community Noah land surface model with multi-parameterization options (Noah-MP) is unique in that it is the next-generation land surface model for the Weather Research and Forecasting meteorological model and for the operational weather/climate models in the National Centers for Environmental Prediction. Here in this study, we add a capability to Noah-MP to simulate nitrogen dynamics by coupling the Fixation and Uptake of Nitrogen (FUN) plant model and the Soilmore » and Water Assessment Tool (SWAT) soil nitrogen dynamics. This model development incorporates FUN's state-of-the-art concept of carbon cost theory and SWAT's strength in representing the impacts of agricultural management on the nitrogen cycle. Parameterizations for direct root and mycorrhizal-associated nitrogen uptake, leaf retranslocation, and symbiotic biological nitrogen fixation are employed from FUN, while parameterizations for nitrogen mineralization, nitrification, immobilization, volatilization, atmospheric deposition, and leaching are based on SWAT. The coupled model is then evaluated at the Kellogg Biological Station – a Long Term Ecological Research site within the US Corn Belt. Results show that the model performs well in capturing the major nitrogen state/flux variables (e.g., soil nitrate and nitrate leaching). Furthermore, the addition of nitrogen dynamics improves the modeling of net primary productivity and evapotranspiration. The model improvement is expected to advance the capability of Noah-MP to simultaneously predict weather and water quality in fully coupled Earth system models.« less

A robust empirical seasonal prediction of winter NAO and surface climate.

PubMed

Wang, L; Ting, M; Kushner, P J

2017-03-21

A key determinant of winter weather and climate in Europe and North America is the North Atlantic Oscillation (NAO), the dominant mode of atmospheric variability in the Atlantic domain. Skilful seasonal forecasting of the surface climate in both Europe and North America is reflected largely in how accurately models can predict the NAO. Most dynamical models, however, have limited skill in seasonal forecasts of the winter NAO. A new empirical model is proposed for the seasonal forecast of the winter NAO that exhibits higher skill than current dynamical models. The empirical model provides robust and skilful prediction of the December-January-February (DJF) mean NAO index using a multiple linear regression (MLR) technique with autumn conditions of sea-ice concentration, stratospheric circulation, and sea-surface temperature. The predictability is, for the most part, derived from the relatively long persistence of sea ice in the autumn. The lower stratospheric circulation and sea-surface temperature appear to play more indirect roles through a series of feedbacks among systems driving NAO evolution. This MLR model also provides skilful seasonal outlooks of winter surface temperature and precipitation over many regions of Eurasia and eastern North America.

Dynamical and Thermodynamic Elements of Modeled Climate Change at the East African Margin of Convection

NASA Astrophysics Data System (ADS)

Giannini, Alessandra; Lyon, Bradfield; Seager, Richard; Vigaud, Nicolas

2018-01-01

We propose a dynamical interpretation of model projections for an end-of-century wetting in equatorial East Africa. In the current generation of global climate models, increased atmospheric moisture content associated with warming is not the dominant process explaining the increase in rainfall, as the regional circulation is only weakly convergent even during the rainy seasons. Instead, projected wetter future conditions are generally consistent with the El Niño-like trend in tropical Pacific sea surface temperatures in climate models. In addition, a weakening in moisture convergence over the adjacent Congo Basin and Maritime Continent cores of convection results in the weakening of near-surface winds, which increases moisture advection from the Congo Basin core toward the East African margin. Overall confidence in the projections is limited by the significant biases in simulation of the regional climatology and disagreement between observed and modeled tropical Pacific sea surface temperature trends to date.

Measuring and modeling surface sorption dynamics of organophosphate flame retardants in chambers

EPA Science Inventory

Understanding the sorption mechanisms for organophosphate flame retardants (OPFRs) on impervious surfaces is important to improve our understanding of the fate and transport of OPFRs in indoor environments. Langmuir and Freundlich models are widely adopted to describe sorption be...

Solvent friction effects propagate over the entire protein molecule through low-frequency collective modes.

PubMed

Moritsugu, Kei; Kidera, Akinori; Smith, Jeremy C

2014-07-24

Protein solvation dynamics has been investigated using atom-dependent Langevin friction coefficients derived directly from molecular dynamics (MD) simulations. To determine the effect of solvation on the atomic friction coefficients, solution and vacuum MD simulations were performed for lysozyme and staphylococcal nuclease and analyzed by Langevin mode analysis. The coefficients thus derived are roughly correlated with the atomic solvent-accessible surface area (ASA), as expected from the fact that friction occurs as the result of collisions with solvent molecules. However, a considerable number of atoms with higher friction coefficients are found inside the core region. Hence, the influence of solvent friction propagates into the protein core. The internal coefficients have large contributions from the low-frequency modes, yielding a simple picture of the surface-to-core long-range damping via solvation governed by collective low-frequency modes. To make use of these findings in implicit-solvent modeling, we compare the all-atom friction results with those obtained using Langevin dynamics (LD) with two empirical representations: the constant-friction and the ASA-dependent (Pastor-Karplus) friction models. The constant-friction model overestimates the core and underestimates the surface damping whereas the ASA-dependent friction model, which damps protein atoms only on the solvent-accessible surface, reproduces well the friction coefficients for both the surface and core regions observed in the explicit-solvent MD simulations. Therefore, in LD simulation, the solvent friction coefficients should be imposed only on the protein surface.

Solvent friction effects propagate over the entire protein molecule through low-frequency collective modes

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

Moritsugu, Kei; Kidera, Akinori; Smith, Jeremy C.

2014-06-25

Protein solvation dynamics has been investigated using atom-dependent Langevin friction coefficients derived directly from molecular dynamics (MD) simulations. To determine the effect of solvation on the atomic friction coefficients, solution and vacuum MD simulations were performed for lysozyme and staphylococcal nuclease and analyzed by Langevin mode analysis. The coefficients thus derived are roughly correlated with the atomic solvent-accessible surface area (ASA), as expected from the fact that friction occurs as the result of collisions with solvent molecules. However, a considerable number of atoms with higher friction coefficients are found inside the core region. Hence, the influence of solvent friction propagatesmore » into the protein core. The internal coefficients have large contributions from the low-frequency modes, yielding a simple picture of the surface-to-core long-range damping via solvation governed by collective low-frequency modes. To make use of these findings in implicit-solvent modeling, we compare the all-atom friction results with those obtained using Langevin dynamics (LD) with two empirical representations: the constant-friction and the ASA-dependent (Pastor Karplus) friction models. The constant-friction model overestimates the core and underestimates the surface damping whereas the ASA-dependent friction model, which damps protein atoms only on the solvent-accessible surface, reproduces well the friction coefficients for both the surface and core regions observed in the explicit-solvent MD simulations. Furthermore, in LD simulation, the solvent friction coefficients should be imposed only on the protein surface.« less

The Rothermel surface fire spread model and associated developments: A comprehensive explanation

Treesearch

Patricia L. Andrews

2018-01-01

The Rothermel surface fire spread model, with some adjustments by Frank A. Albini in 1976, has been used in fire and fuels management systems since 1972. It is generally used with other models including fireline intensity and flame length. Fuel models are often used to define fuel input parameters. Dynamic fuel models use equations for live fuel curing. Models have...

Axisymmetric Lattice Boltzmann Model of Droplet Impact on Solid Surfaces

NASA Astrophysics Data System (ADS)

Dalgamoni, Hussein; Yong, Xin

2017-11-01

Droplet impact is a ubiquitous fluid phenomena encountered in scientific and engineering applications such as ink-jet printing, coating, electronics manufacturing, and many others. It is of great technological importance to understand the detailed dynamics of drop impact on various surfaces. The lattice Boltzmann method (LBM) emerges as an efficient method for modeling complex fluid systems involving rapidly evolving fluid-fluid and fluid-solid interfaces with complex geometries. In this work, we model droplet impact on flat solid substrates with well-defined wetting behavior using a two-phase axisymmetric LBM with high density and viscosity contrasts. We extend the two-dimensional Lee and Liu model to capture axisymmetric effect in the normal impact. First we compare the 2D axisymmetric results with the 2D and 3D results reported by Lee and Liu to probe the effect of axisymmetric terms. Then, we explore the effects of Weber number, Ohnesorge number, and droplet-surface equilibrium contact angle on the impact. The dynamic contact angle and spreading factor of the droplet during impact are investigated to qualitatively characterize the impact dynamics.

Mars Tumbleweed Simulation Using Singular Perturbation Theory

NASA Technical Reports Server (NTRS)

Raiszadeh, Behzad; Calhoun, Phillip

2005-01-01

The Mars Tumbleweed is a new surface rover concept that utilizes Martian winds as the primary source of mobility. Several designs have been proposed for the Mars Tumbleweed, all using aerodynamic drag to generate force for traveling about the surface. The Mars Tumbleweed, in its deployed configuration, must be large and lightweight to provide the ratio of drag force to rolling resistance necessary to initiate motion from the Martian surface. This paper discusses the dynamic simulation details of a candidate Tumbleweed design. The dynamic simulation model must properly evaluate and characterize the motion of the tumbleweed rover to support proper selection of system design parameters. Several factors, such as model flexibility, simulation run times, and model accuracy needed to be considered in modeling assumptions. The simulation was required to address the flexibility of the rover and its interaction with the ground, and properly evaluate its mobility. Proper assumptions needed to be made such that the simulated dynamic motion is accurate and realistic while not overly burdened by long simulation run times. This paper also shows results that provided reasonable correlation between the simulation and a drop/roll test of a tumbleweed prototype.

An atomistic-continuum hybrid simulation of fluid flows over superhydrophobic surfaces

PubMed Central

Li, Qiang; He, Guo-Wei

2009-01-01

Recent experiments have found that slip length could be as large as on the order of 1 μm for fluid flows over superhydrophobic surfaces. Superhydrophobic surfaces can be achieved by patterning roughness on hydrophobic surfaces. In the present paper, an atomistic-continuum hybrid approach is developed to simulate the Couette flows over superhydrophobic surfaces, in which a molecular dynamics simulation is used in a small region near the superhydrophobic surface where the continuum assumption is not valid and the Navier-Stokes equations are used in a large region for bulk flows where the continuum assumption does hold. These two descriptions are coupled using the dynamic coupling model in the overlap region to ensure momentum continuity. The hybrid simulation predicts a superhydrophobic state with large slip lengths, which cannot be obtained by molecular dynamics simulation alone. PMID:19693344

Fluorescence-correlation spectroscopy study of molecular transport within reversed-phase chromatographic particles compared to planar model surfaces.

PubMed

Cooper, Justin; Harris, Joel M

2014-12-02

Reversed-phase liquid chromatography (RPLC) is a widely used technique for molecular separations. Stationary-phase materials for RPLC generally consist of porous silica-gel particles functionalized with n-alkane ligands. Understanding motions of molecules within the interior of these particles is important for developing efficient chromatographic materials and separations. To characterize these dynamics, time-resolved spectroscopic methods (photobleach recovery, fluorescence correlation, single-molecule imaging) have been adapted to measure molecular diffusion rates, typically at n-alkane-modified planar silica surfaces, which serve as models of chromatographic interfaces. A question arising from these studies is how dynamics of molecules on a planar surface relate to motions of molecules within the interior of a porous chromatographic particle. In this paper, imaging-fluorescence-correlation spectroscopy is used to measure diffusion rates of a fluorescent probe molecule 1,1'-dioctadecyl-3,3,3'3'-tetramethylindocarbocyanine perchlorate (DiI) within authentic RPLC porous silica particles and compared with its diffusion at a planar C18-modified surface. The results show that surface diffusion on the planar C18 substrate is much faster than the diffusion rate of the probe molecule through a chromatographic particle. Surface diffusion within porous particles, however, is governed by molecular trajectories along the tortuous contours of the interior surface of the particles. By accounting for the greater surface area that a molecule must explore to diffuse macroscopic distances through the particle, the molecular-scale diffusion rates on the two surfaces can be compared, and they are virtually identical. These results provide support for the relevance of surface-diffusion measurements made on planar model surfaces to the dynamic behavior of molecules on the internal surfaces of porous chromatographic particles.

Time-resolved spectroscopy at surfaces and adsorbate dynamics: Insights from a model-system approach

NASA Astrophysics Data System (ADS)

Boström, Emil; Mikkelsen, Anders; Verdozzi, Claudio

2016-05-01

We introduce a model description of femtosecond laser induced desorption at surfaces. The substrate part of the system is taken into account as a (possibly semi-infinite) linear chain. Here, being especially interested in the early stages of dissociation, we consider a finite-size implementation of the model (i.e., a finite substrate), for which an exact numerical solution is possible. By time-evolving the many-body wave function, and also using results from a time-dependent density functional theory description for electron-nuclear systems, we analyze the competition between several surface-response mechanisms and electronic correlations in the transient and longer time dynamics under the influence of dipole-coupled fields. Our model allows us to explore how coherent multiple-pulse protocols can impact desorption in a variety of prototypical experiments.

Study of Near-Surface Models in Large-Eddy Simulations of a Neutrally Stratified Atmospheric Boundary Layer

NASA Technical Reports Server (NTRS)

Senocak, I.; Ackerman, A. S.; Kirkpatrick, M. P.; Stevens, D. E.; Mansour, N. N.

2004-01-01

Large-eddy simulation (LES) is a widely used technique in armospheric modeling research. In LES, large, unsteady, three dimensional structures are resolved and small structures that are not resolved on the computational grid are modeled. A filtering operation is applied to distinguish between resolved and unresolved scales. We present two near-surface models that have found use in atmospheric modeling. We also suggest a simpler eddy viscosity model that adopts Prandtl's mixing length model (Prandtl 1925) in the vicinity of the surface and blends with the dynamic Smagotinsky model (Germano et al, 1991) away from the surface. We evaluate the performance of these surface models by simulating a neutraly stratified atmospheric boundary layer.

SIMULATION STUDIES OF THE WETTING OF CRYSTALLINE FACES OF COTTON CELLULOSE

USDA-ARS?s Scientific Manuscript database

Models of the surfaces of nano-sized cellulose crystals were constructed and a model droplet of water was placed on each. Then, the model atoms were given motion that corresponds to room temperature (a molecular dynamics simulation), and the spreading of the water over the surfaces was studied. Besi...

A combined three-dimensional in vitro–in silico approach to modelling bubble dynamics in decompression sickness

PubMed Central

Stride, E.; Cheema, U.

2017-01-01

The growth of bubbles within the body is widely believed to be the cause of decompression sickness (DCS). Dive computer algorithms that aim to prevent DCS by mathematically modelling bubble dynamics and tissue gas kinetics are challenging to validate. This is due to lack of understanding regarding the mechanism(s) leading from bubble formation to DCS. In this work, a biomimetic in vitro tissue phantom and a three-dimensional computational model, comprising a hyperelastic strain-energy density function to model tissue elasticity, were combined to investigate key areas of bubble dynamics. A sensitivity analysis indicated that the diffusion coefficient was the most influential material parameter. Comparison of computational and experimental data revealed the bubble surface's diffusion coefficient to be 30 times smaller than that in the bulk tissue and dependent on the bubble's surface area. The initial size, size distribution and proximity of bubbles within the tissue phantom were also shown to influence their subsequent dynamics highlighting the importance of modelling bubble nucleation and bubble–bubble interactions in order to develop more accurate dive algorithms. PMID:29263127

Surface Modeling and Grid Generation of Orbital Sciences X34 Vehicle. Phase 1

NASA Technical Reports Server (NTRS)

Alter, Stephen J.

1997-01-01

The surface modeling and grid generation requirements, motivations, and methods used to develop Computational Fluid Dynamic volume grids for the X34-Phase 1 are presented. The requirements set forth by the Aerothermodynamics Branch at the NASA Langley Research Center serve as the basis for the final techniques used in the construction of all volume grids, including grids for parametric studies of the X34. The Integrated Computer Engineering and Manufacturing code for Computational Fluid Dynamics (ICEM/CFD), the Grid Generation code (GRIDGEN), the Three-Dimensional Multi-block Advanced Grid Generation System (3DMAGGS) code, and Volume Grid Manipulator (VGM) code are used to enable the necessary surface modeling, surface grid generation, volume grid generation, and grid alterations, respectively. All volume grids generated for the X34, as outlined in this paper, were used for CFD simulations within the Aerothermodynamics Branch.

Plate Like Convection with Viscous Strain Weakening and Corresponding Surface Deformation Pattern

NASA Astrophysics Data System (ADS)

Fuchs, L.; Becker, T. W.

2017-12-01

How plate tectonic surface motions are generated by mantle convection on Earth and possibly other terrestrial type planets has recently become more readily accessible with fully dynamic convection computations. However, it remains debated how plate-like the behavior in such models truly is, and in particular how the well plate boundary dynamics are captured in models which typically exclude the effects of deformation history and memory. Here, we analyze some of the effects of viscous strain weakening on plate behavior and the interactions between interior convection dynamics and surface deformation patterns. We use the finite element code CitcomCU to model convection in a 3D Cartesian model setup. The models are internally heated, with an Arrhenius-type temperature dependent viscosity including plastic yielding and viscous strain weakening (VSW) and healing (VSWH). VSW can mimic first order features of more complex damage mechanisms such as grain-size dependent rheology. Besides plate diagnostic parameters (Plateness, Mobility, and Toroidal: Poloidal ratio) to analyze the tectonic behavior our models, we also explore how "plate boundaries" link to convective patterns. In a first model series, we analyze general surface deformation patterns without VSW. In the early stages, deformation patterns are clearly co-located with up- and downwelling limbs of convection. Along downwellings strain-rates are high and localized, whereas upwellings tend to lead to broad zones of high deformation. At a more advanced stage, however, the plates' interior is highly deformed due to continuous strain accumulation and resurfaced inherited strain. Including only VSW leads to more localized deformation along downwellings. However, at a more advanced stage plate-like convection fails due an overall weakening of the material. This is prevented including strain healing. Deformation pattern at the surface more closely coincide with the internal convection patterns. The average surface deformation is reduced significantly and mainly governed by the location of the up- and downwellings. VSWH thereby affects plate dynamics due to two main properties: the intensity of weakening with increasing strain and the strain healing rate. As both increase, mobility increases as well and strain becomes more localized at the downwellings.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking.

PubMed

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco

2015-09-28

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking

NASA Astrophysics Data System (ADS)

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene; Martinazzo, Rocco

2015-09-01

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (˜0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Ionic liquid structure, dynamics, and electrosorption in carbon electrodes with bimodal pores and heterogeneous surfaces

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

Dyatkin, Boris; Osti, Naresh C.; Zhang, Yu

In this paper, we investigate the aggregation, diffusion, and resulting electrochemical behavior of ionic liquids inside carbon electrodes with complex pore architectures and surface chemistries. Carbide-derived carbons (CDCs) with bimodal porosities and defunctionalized or oxidized electrode surfaces served as model electrode materials. Our goal was to obtain a fundamental understanding of room-temperature ionic liquid ion orientation, mobility, and electrosorption behavior. Neat 1-octyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide confined in CDCs was studied using an integrated experimental and modeling approach, consisting of quasielastic neutron scattering, small-angle neutron scattering, X-ray pair distribution function analysis, and electrochemical measurements, which were combined with molecular dynamics simulations. Our analysismore » shows that surface oxygen groups increase the diffusion of confined electrolytes. Consequently, the ions become more than twice as mobile in oxygen-rich pores. Although greater self-diffusion of ions translates into higher electrochemical mobilities in oxidized pores, bulk-like behavior of ions dominates in the larger mesopores and increases the overall capacitance in defunctionalized pores. Experimental results highlight strong confinement and surface effects of carbon electrodes on electrolyte behavior, and molecular dynamics simulations yield insight into diffusion and capacitance differences in specific pore regions. Finally, we demonstrate the significance of surface defects on electrosorption dynamics of complex electrolytes in hierarchical pore architectures of supercapacitor electrodes.« less

Ionic liquid structure, dynamics, and electrosorption in carbon electrodes with bimodal pores and heterogeneous surfaces

DOE PAGES

Dyatkin, Boris; Osti, Naresh C.; Zhang, Yu; ...

2017-12-05

In this paper, we investigate the aggregation, diffusion, and resulting electrochemical behavior of ionic liquids inside carbon electrodes with complex pore architectures and surface chemistries. Carbide-derived carbons (CDCs) with bimodal porosities and defunctionalized or oxidized electrode surfaces served as model electrode materials. Our goal was to obtain a fundamental understanding of room-temperature ionic liquid ion orientation, mobility, and electrosorption behavior. Neat 1-octyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide confined in CDCs was studied using an integrated experimental and modeling approach, consisting of quasielastic neutron scattering, small-angle neutron scattering, X-ray pair distribution function analysis, and electrochemical measurements, which were combined with molecular dynamics simulations. Our analysismore » shows that surface oxygen groups increase the diffusion of confined electrolytes. Consequently, the ions become more than twice as mobile in oxygen-rich pores. Although greater self-diffusion of ions translates into higher electrochemical mobilities in oxidized pores, bulk-like behavior of ions dominates in the larger mesopores and increases the overall capacitance in defunctionalized pores. Experimental results highlight strong confinement and surface effects of carbon electrodes on electrolyte behavior, and molecular dynamics simulations yield insight into diffusion and capacitance differences in specific pore regions. Finally, we demonstrate the significance of surface defects on electrosorption dynamics of complex electrolytes in hierarchical pore architectures of supercapacitor electrodes.« less

Feedbacks Between Shallow Groundwater Dynamics and Surface Topography on Runoff Generation in Flat Fields

NASA Astrophysics Data System (ADS)

Appels, Willemijn M.; Bogaart, Patrick W.; van der Zee, Sjoerd E. A. T. M.

2017-12-01

In winter, saturation excess (SE) ponding is observed regularly in temperate lowland regions. Surface runoff dynamics are controlled by small topographical features that are unaccounted for in hydrological models. To better understand storage and routing effects of small-scale topography and their interaction with shallow groundwater under SE conditions, we developed a model of reduced complexity to investigate SE runoff generation, emphasizing feedbacks between shallow groundwater dynamics and mesotopography. The dynamic specific yield affected unsaturated zone water storage, causing rapid switches between negative and positive head and a flatter groundwater mound than predicted by analytical agrohydrological models. Accordingly, saturated areas were larger and local groundwater fluxes smaller than predicted, leading to surface runoff generation. Mesotopographic features routed water over larger distances, providing a feedback mechanism that amplified changes to the shape of the groundwater mound. This in turn enhanced runoff generation, but whether it also resulted in runoff events depended on the geometry and location of the depressions. Whereas conditions favorable to runoff generation may abound during winter, these feedbacks profoundly reduce the predictability of SE runoff: statistically identical rainfall series may result in completely different runoff generation. The model results indicate that waterlogged areas in any given rainfall event are larger than those predicted by current analytical groundwater models used for drainage design. This change in the groundwater mound extent has implications for crop growth and damage assessments.

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

NASA Astrophysics Data System (ADS)

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 < 0.01) in the Everglades of Florida over the years 1996-2001. The modeled monthly soil moisture for Illinois of the US agrees well (R2 = 0.79, p < 0.01) with the observed over the years 1984-2001. The modeled monthly stream flow for most 12 major rivers in the US is consistent R2 > 0.46, p < 0.01; Nash-Sutcliffe Coefficients >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.

Using dry spell dynamics of land surface temperature to evaluate large-scale model representation of soil moisture control on evapotranspiration

NASA Astrophysics Data System (ADS)

Taylor, Christopher M.; Harris, Philip P.; Gallego-Elvira, Belen; Folwell, Sonja S.

2017-04-01

The soil moisture control on the partition of land surface fluxes between sensible and latent heat is a key aspect of land surface models used within numerical weather prediction and climate models. As soils dry out, evapotranspiration (ET) decreases, and the excess energy is used to warm the atmosphere. Poor simulations of this dynamic process can affect predictions of mean, and in particular, extreme air temperatures, and can introduce substantial biases into projections of climate change at regional scales. The lack of reliable observations of fluxes and root zone soil moisture at spatial scales that atmospheric models use (typically from 1 to several hundred kilometres), coupled with spatial variability in vegetation and soil properties, makes it difficult to evaluate the flux partitioning at the model grid box scale. To overcome this problem, we have developed techniques to use Land Surface Temperature (LST) to evaluate models. As soils dry out, LST rises, so it can be used under certain circumstances as a proxy for the partition between sensible and latent heat. Moreover, long time series of reliable LST observations under clear skies are available globally at resolutions of the order of 1km. Models can exhibit large biases in seasonal mean LST for various reasons, including poor description of aerodynamic coupling, uncertainties in vegetation mapping, and errors in down-welling radiation. Rather than compare long-term average LST values with models, we focus on the dynamics of LST during dry spells, when negligible rain falls, and the soil moisture store is drying out. The rate of warming of the land surface, or, more precisely, its warming rate relative to the atmosphere, emphasises the impact of changes in soil moisture control on the surface energy balance. Here we show the application of this approach to model evaluation, with examples at continental and global scales. We can compare the behaviour of both fully-coupled land-atmosphere models, and land surface models forced by observed meteorology. This approach provides insight into a fundamental process that affects predictions on multiple time scales, and which has an important impact for society.

Application of snakes and dynamic programming optimisation technique in modeling of buildings in informal settlement areas

NASA Astrophysics Data System (ADS)

Rüther, Heinz; Martine, Hagai M.; Mtalo, E. G.

This paper presents a novel approach to semiautomatic building extraction in informal settlement areas from aerial photographs. The proposed approach uses a strategy of delineating buildings by optimising their approximate building contour position. Approximate building contours are derived automatically by locating elevation blobs in digital surface models. Building extraction is then effected by means of the snakes algorithm and the dynamic programming optimisation technique. With dynamic programming, the building contour optimisation problem is realized through a discrete multistage process and solved by the "time-delayed" algorithm, as developed in this work. The proposed building extraction approach is a semiautomatic process, with user-controlled operations linking fully automated subprocesses. Inputs into the proposed building extraction system are ortho-images and digital surface models, the latter being generated through image matching techniques. Buildings are modeled as "lumps" or elevation blobs in digital surface models, which are derived by altimetric thresholding of digital surface models. Initial windows for building extraction are provided by projecting the elevation blobs centre points onto an ortho-image. In the next step, approximate building contours are extracted from the ortho-image by region growing constrained by edges. Approximate building contours thus derived are inputs into the dynamic programming optimisation process in which final building contours are established. The proposed system is tested on two study areas: Marconi Beam in Cape Town, South Africa, and Manzese in Dar es Salaam, Tanzania. Sixty percent of buildings in the study areas have been extracted and verified and it is concluded that the proposed approach contributes meaningfully to the extraction of buildings in moderately complex and crowded informal settlement areas.

Measuring and Modeling Surface Sorption Dynamics of Organophosphate Flame Retardants in Chambers

EPA Science Inventory

Understanding the sorption mechanisms for organophosphate flame retardants (OPFRs) on impervious surfaces is important if we are to improve our understanding of the fate and transport of OPFRs in indoor environments. Traditional Langmuir and Freundlich models are widely adopted t...

A Nonlinear Dynamic Model and Free Vibration Analysis of Deployable Mesh Reflectors

NASA Technical Reports Server (NTRS)

Shi, H.; Yang, B.; Thomson, M.; Fang, H.

2011-01-01

This paper presents a dynamic model of deployable mesh reflectors, in which geometric and material nonlinearities of such a space structure are fully described. Then, by linearization around an equilibrium configuration of the reflector structure, a linearized model is obtained. With this linearized model, the natural frequencies and mode shapes of a reflector can be computed. The nonlinear dynamic model of deployable mesh reflectors is verified by using commercial finite element software in numerical simulation. As shall be seen, the proposed nonlinear model is useful for shape (surface) control of deployable mesh reflectors under thermal loads.

Computations of Lifshitz-van der Waals interaction energies between irregular particles and surfaces at all separations for resuspension modelling

NASA Astrophysics Data System (ADS)

Priye, Aashish; Marlow, William H.

2013-10-01

The phenomenon of particle resuspension plays a vital role in numerous fields. Among many aspects of particle resuspension dynamics, a dominant concern is the accurate description and formulation of the van der Waals (vdW) interactions between the particle and substrate. Current models treat adhesion by incorporating a material-dependent Hamaker's constant which relies on the heuristic Hamaker's two-body interactions. However, this assumption of pairwise summation of interaction energies can lead to significant errors in condensed matter as it does not take into account the many-body interaction and retardation effects. To address these issues, an approach based on Lifshitz continuum theory of vdW interactions has been developed to calculate the principal many-body interactions between arbitrary geometries at all separation distances to a high degree of accuracy through Lifshitz's theory. We have applied this numerical implementation to calculate the many-body vdW interactions between spherical particles and surfaces with sinusoidally varying roughness profile and also to non-spherical particles (cubes, cylinders, tetrahedron etc) orientated differently with respect to the surface. Our calculations revealed that increasing the surface roughness amplitude decreases the adhesion force and non-spherical particles adhere to the surfaces more strongly when their flatter sides are oriented towards the surface. Such practical shapes and structures of particle-surface systems have not been previously considered in resuspension models and this rigorous treatment of vdW interactions provides more realistic adhesion forces between the particle and the surface which can then be coupled with computational fluid dynamics models to improve the predictive capabilities of particle resuspension dynamics.

Analysis of the Effects of Surface Pitting and Wear on the Vibrations of a Gear Transmission System

NASA Technical Reports Server (NTRS)

Choy, F. K.; Polyshchuk, V.; Zakrajsek, J. J.; Handschuh, R. F.; Townsend, D. P.

1994-01-01

A comprehensive procedure to simulate and analyze the vibrations in a gear transmission system with surface pitting, 'wear' and partial tooth fracture of the gear teeth is presented. An analytical model was developed where the effects of surface pitting and wear of the gear tooth were simulated by phase and magnitude changes in the gear mesh stiffness. Changes in the gear mesh stiffness were incorporated into each gear-shaft model during the global dynamic simulation of the system. The overall dynamics of the system were evaluated by solving for the transient dynamics of each shaft system simultaneously with the vibration of the gearbox structure. In order to reduce the number of degrees-of-freedom in the system, a modal synthesis procedure was used in the global transient dynamic analysis of the overall transmission system. An FFT procedure was used to transform the averaged time signal into the frequency domain for signature analysis. In addition, the Wigner-Ville distribution was also introduced to examine the gear vibration in the joint time frequency domain for vibration pattern recognition. Experimental results obtained from a gear fatigue test rig at NASA Lewis Research Center were used to evaluate the analytical model.

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

PubMed

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

2005-08-16

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

Effects of spoiler surfaces on the aeroelastic behavior of a low-aspect-ratio rectangular wing

NASA Technical Reports Server (NTRS)

Cole, Stanley R.

1990-01-01

An experimental research study to determine the effectiveness of spoiler surfaces in suppressing flutter onset for a low-aspect-ratio, rectangular wing was conducted in the Langley Transonic Dynamics Tunnel (TDT). The wing model used in this flutter test consisted of a rigid wing mounted to the wind-tunnel wall by a flexible, rectangular beam. The flexible beam was connected to the wing root and cantilever mounted to the wind-tunnel wall. The wing had a 1.5 aspect ratio based on wing semispan and a NACA 64A010 airfoil shape. The spoiler surfaces consisted of thin, rectangular aluminum plates that were vertically mounted to the wing surface. The spoiler surface geometry and location on the wing surface were varied to determine the effects of these parameters on the classical flutter of the wing model. Subsonically, the experiment showed that spoiler surfaces increased the flutter dynamic pressure with each successive increase in spoiler height or width. This subsonic increase in flutter dynamic pressure was approximately 15 percent for the maximum height spoiler configuration and for the maximum width spoiler configuration. At transonic Mach numbers, the flutter dynamic pressure conditions were increased even more substantially than at subsonic Mach numbers for some of the smaller spoiler surfaces. But greater than a certain spoiler size (in terms of either height or width) the spoilers forced a torsional instability in the transonic regime that was highly Mach number dependent. This detrimental torsional instability was found at dynamic pressures well below the expected flutter conditions. Variations in the spanwise location of the spoiler surfaces on the wing showed little effect on flutter. Flutter analysis was conducted for the basic configuration (clean wing with all spoiler surface mass properties included). The analysis correlated well with the clean wing experimental flutter results.

CFD validation experiments at McDonnell Aircraft Company

NASA Technical Reports Server (NTRS)

Verhoff, August

1987-01-01

Information is given in viewgraph form on computational fluid dynamics (CFD) validation experiments at McDonnell Aircraft Company. Topics covered include a high speed research model, a supersonic persistence fighter model, a generic fighter wing model, surface grids, force and moment predictions, surface pressure predictions, forebody models with 65 degree clipped delta wings, and the low aspect ratio wing/body experiment.

Land Surface Data Assimilation

NASA Astrophysics Data System (ADS)

Houser, P. R.

2012-12-01

Information about land surface water, energy and carbon conditions is of critical importance to real-world applications such as agricultural production, water resource management, flood prediction, water supply, weather and climate forecasting, and environmental preservation. While ground-based observational networks are improving, the only practical way to observe these land surface states on continental to global scales is via satellites. Remote sensing can make spatially comprehensive measurements of various components of the terrestrial system, but it cannot provide information on the entire system (e.g. evaporation), and the observations represent only an instant in time. Land surface process models may be used to predict temporal and spatial terrestrial dynamics, but these predictions are often poor, due to model initialization, parameter and forcing, and physics errors. Therefore, an attractive prospect is to combine the strengths of land surface models and observations (and minimize the weaknesses) to provide a superior terrestrial state estimate. This is the goal of land surface data assimilation. Data Assimilation combines observations into a dynamical model, using the model's equations to provide time continuity and coupling between the estimated fields. Land surface data assimilation aims to utilize both our land surface process knowledge, as embodied in a land surface model, and information that can be gained from observations. Both model predictions and observations are imperfect and we wish to use both synergistically to obtain a more accurate result. Moreover, both contain different kinds of information, that when used together, provide an accuracy level that cannot be obtained individually. Model biases can be mitigated using a complementary calibration and parameterization process. Limited point measurements are often used to calibrate the model(s) and validate the assimilation results. This presentation will provide a brief background on land surface observation, modeling and data assimilation, followed by a discussion of various hydrologic data assimilation challenges, and finally conclude with several land surface data assimilation case studies.

Development of an Integrated Nonlinear Aeroservoelastic Flight Dynamic Model of the NASA Generic Transport Model

NASA Technical Reports Server (NTRS)

Nguyen, Nhan; Ting, Eric

2018-01-01

This paper describes a recent development of an integrated fully coupled aeroservoelastic flight dynamic model of the NASA Generic Transport Model (GTM). The integrated model couples nonlinear flight dynamics to a nonlinear aeroelastic model of the GTM. The nonlinearity includes the coupling of the rigid-body aircraft states in the partial derivatives of the aeroelastic angle of attack. Aeroservoelastic modeling of the control surfaces which are modeled by the Variable Camber Continuous Trailing Edge Flap is also conducted. The R.T. Jones' method is implemented to approximate unsteady aerodynamics. Simulations of the GTM are conducted with simulated continuous and discrete gust loads..

Research on the dynamic response of high-contact-ratio spur gears influenced by surface roughness under EHL condition

NASA Astrophysics Data System (ADS)

Huang, Kang; Xiong, Yangshou; Wang, Tao; Chen, Qi

2017-01-01

Employing high-contact-ratio (HCR) gear is an effective method of decreasing the load on a single tooth, as well as reducing vibration and noise. While the spindlier tooth leads to greater relative sliding, having more teeth participate in contact at the same time makes the HCR gear more sensitive to the surface quality. Available literature regarding HCR gear primarily investigates the geometrical optimization, load distribution, or efficiency calculation. Limited work has been conducted on the effect of rough surfaces on the dynamic performance of HCR gear. For this reason, a multi-degree-of-freedom (MDOF) model is presented mathematically to characterize the static transmission error based on fractal theory, investigate the relative sliding friction using an EHL-based friction coefficient formula, and detail the time-varying friction coefficient suitable for HCR gear. Based on numerical results, the surface roughness has little influence on system response in terms of the dynamic transmission error but has a large effect on the motion in off-line-of-action (OLOA) direction and friction force. The impact of shaft-bearing stiffness and damping ratio is also explored with results revealing that a greater shaft-bearing stiffness is beneficial in obtaining a more stable motion in OLOA direction, and a larger damping ratio results in a smaller effective friction force. The theory presented in this report outlines a new method of analyzing the dynamics of HCR gear in respect of introducing surface roughness into MDOF model directly, as well as establishing an indirect relationship between dynamic responses and surface roughness. This method is expected to guide surface roughness design and manufacturing in the future.

Effect of water table dynamics on land surface hydrologic memory

NASA Astrophysics Data System (ADS)

Lo, Min-Hui; Famiglietti, James S.

2010-11-01

The representation of groundwater dynamics in land surface models has received considerable attention in recent years. Most studies have found that soil moisture increases after adding a groundwater component because of the additional supply of water to the root zone. However, the effect of groundwater on land surface hydrologic memory (persistence) has not been explored thoroughly. In this study we investigate the effect of water table dynamics on National Center for Atmospheric Research Community Land Model hydrologic simulations in terms of land surface hydrologic memory. Unlike soil water or evapotranspiration, results show that land surface hydrologic memory does not always increase after adding a groundwater component. In regions where the water table level is intermediate, land surface hydrologic memory can even decrease, which occurs when soil moisture and capillary rise from groundwater are not in phase with each other. Further, we explore the hypothesis that in addition to atmospheric forcing, groundwater variations may also play an important role in affecting land surface hydrologic memory. Analyses show that feedbacks of groundwater on land surface hydrologic memory can be positive, negative, or neutral, depending on water table dynamics. In regions where the water table is shallow, the damping process of soil moisture variations by groundwater is not significant, and soil moisture variations are mostly controlled by random noise from atmospheric forcing. In contrast, in regions where the water table is very deep, capillary fluxes from groundwater are small, having limited potential to affect soil moisture variations. Therefore, a positive feedback of groundwater to land surface hydrologic memory is observed in a transition zone between deep and shallow water tables, where capillary fluxes act as a buffer by reducing high-frequency soil moisture variations resulting in longer land surface hydrologic memory.

Comparison of Response Surface and Kriging Models for Multidisciplinary Design Optimization

NASA Technical Reports Server (NTRS)

Simpson, Timothy W.; Korte, John J.; Mauery, Timothy M.; Mistree, Farrokh

1998-01-01

In this paper, we compare and contrast the use of second-order response surface models and kriging models for approximating non-random, deterministic computer analyses. After reviewing the response surface method for constructing polynomial approximations, kriging is presented as an alternative approximation method for the design and analysis of computer experiments. Both methods are applied to the multidisciplinary design of an aerospike nozzle which consists of a computational fluid dynamics model and a finite-element model. Error analysis of the response surface and kriging models is performed along with a graphical comparison of the approximations, and four optimization problems m formulated and solved using both sets of approximation models. The second-order response surface models and kriging models-using a constant underlying global model and a Gaussian correlation function-yield comparable results.

Pressure measurements on a rectangular wing with a NACA0012 airfoil during conventional flutter

NASA Technical Reports Server (NTRS)

Rivera, Jose A., Jr.; Dansberry, Bryan E.; Durham, Michael H.; Bennett, Robert M.; Silva, Walter A.

1992-01-01

The Structural Dynamics Division at NASA LaRC has started a wind tunnel activity referred to as the Benchmark Models Program. The primary objective of the program is to acquire measured dynamic instability and corresponding pressure data that will be useful for developing and evaluating aeroelastic type CFD codes currently in use or under development. The program is a multi-year activity that will involve testing of several different models to investigate various aeroelastic phenomena. The first model consisted of a rigid semispan wing having a rectangular planform and a NACA 0012 airfoil shape which was mounted on a flexible two degree-of-freedom mount system. Two wind-tunnel tests were conducted with the first model. Several dynamic instability boundaries were investigated such as a conventional flutter boundary, a transonic plunge instability region near Mach = 0.90, and stall flutter. In addition, wing surface unsteady pressure data were acquired along two model chords located at the 60 to 95-percent span stations during these instabilities. At this time, only the pressure data for the conventional flutter boundary is presented. The conventional flutter boundary and the wing surface unsteady pressure measurements obtained at the conventional flutter boundary test conditions in pressure coefficient form are presented. Wing surface steady pressure measurements obtained with the model mount system rigidized are also presented. These steady pressure data were acquired at essentially the same dynamic pressure at which conventional flutter had been encountered with the mount system flexible.

Spatially Distributed Assimilation of Remotely Sensed Leaf Area Index and Potential Evapotranspiration for Hydrologic Modeling in Wetland Landscapes

EPA Science Inventory

Evapotranspiration (ET), a highly dynamic flux in wetland landscapes, regulates the accuracy of surface/sub-surface runoff simulation in a hydrologic model. However, considerable uncertainty in simulating ET-related processes remains, including our limited ability to incorporate ...

Extended-Range Prediction with Low-Dimensional, Stochastic-Dynamic Models: A Data-driven Approach

DTIC Science & Technology

2012-09-30

characterization of extratropical storms and extremes and link these to LFV modes. Mingfang Ting, Yochanan Kushnir, Andrew W. Robertson...simulating and predicting a wide range of climate phenomena including ENSO, tropical Atlantic sea surface temperatures (SSTs), storm track variability...into empirical prediction models. Use observations to improve low-order dynamical MJO models. Adam Sobel, Daehyun Kim. Extratropical variability

GCM simulations of Titan's middle and lower atmosphere and comparison to observations

NASA Astrophysics Data System (ADS)

Lora, Juan M.; Lunine, Jonathan I.; Russell, Joellen L.

2015-04-01

Simulation results are presented from a new general circulation model (GCM) of Titan, the Titan Atmospheric Model (TAM), which couples the Flexible Modeling System (FMS) spectral dynamical core to a suite of external/sub-grid-scale physics. These include a new non-gray radiative transfer module that takes advantage of recent data from Cassini-Huygens, large-scale condensation and quasi-equilibrium moist convection schemes, a surface model with "bucket" hydrology, and boundary layer turbulent diffusion. The model produces a realistic temperature structure from the surface to the lower mesosphere, including a stratopause, as well as satisfactory superrotation. The latter is shown to depend on the dynamical core's ability to build up angular momentum from surface torques. Simulated latitudinal temperature contrasts are adequate, compared to observations, and polar temperature anomalies agree with observations. In the lower atmosphere, the insolation distribution is shown to strongly impact turbulent fluxes, and surface heating is maximum at mid-latitudes. Surface liquids are unstable at mid- and low-latitudes, and quickly migrate poleward. The simulated humidity profile and distribution of surface temperatures, compared to observations, corroborate the prevalence of dry conditions at low latitudes. Polar cloud activity is well represented, though the observed mid-latitude clouds remain somewhat puzzling, and some formation alternatives are suggested.

Three new models for evaluation of standard involute spur gear mesh stiffness

NASA Astrophysics Data System (ADS)

Liang, Xihui; Zhang, Hongsheng; Zuo, Ming J.; Qin, Yong

2018-02-01

Time-varying mesh stiffness is one of the main internal excitation sources of gear dynamics. Accurate evaluation of gear mesh stiffness is crucial for gear dynamic analysis. This study is devoted to developing new models for spur gear mesh stiffness evaluation. Three models are proposed. The proposed model 1 can give very accurate mesh stiffness result but the gear bore surface must be assumed to be rigid. Enlighted by the proposed model 1, our research discovers that the angular deflection pattern of the gear bore surface of a pair of meshing gears under a constant torque basically follows a cosine curve. Based on this finding, two other models are proposed. The proposed model 2 evaluates gear mesh stiffness by using angular deflections at different circumferential angles of an end surface circle of the gear bore. The proposed model 3 requires using only the angular deflection at an arbitrary circumferential angle of an end surface circle of the gear bore but this model can only be used for a gear with the same tooth profile among all teeth. The proposed models are accurate in gear mesh stiffness evaluation and easy to use. Finite element analysis is used to validate the accuracy of the proposed models.

Dynamic Eigenvalue Problem of Concrete Slab Road Surface

NASA Astrophysics Data System (ADS)

Pawlak, Urszula; Szczecina, Michał

2017-10-01

The paper presents an analysis of the dynamic eigenvalue problem of concrete slab road surface. A sample concrete slab was modelled using Autodesk Robot Structural Analysis software and calculated with Finite Element Method. The slab was set on a one-parameter elastic subsoil, for which the modulus of elasticity was separately calculated. The eigen frequencies and eigenvectors (as maximal vertical nodal displacements) were presented. On the basis of the results of calculations, some basic recommendations for designers of concrete road surfaces were offered.

Transonic steady- and unsteady-pressure measurements on a high-aspect-ratio supercritical-wing model with oscillating control surfaces

NASA Technical Reports Server (NTRS)

Sandford, M. C.; Ricketts, R. H.; Cazier, F. W., Jr.

1980-01-01

A supercritical wing with an aspect ratio of 10.76 and with two trailing-edge oscillating control surfaces is described. The semispan wing is instrumented with 252 static orifices and 164 in situ dynamic-pressure gages for studying the effects of control-surface position and motion on steady- and unsteady-pressures at transonic speeds. Results from initial tests conducted in the Langley Transonic Dynamics Tunnel at two Reynolds numbers are presented in tabular form.

MOLECULAR DYNAMICS MODELING OF SORPTION OF PESTICIDES ONTO THE SURFACES OF KAOLINITE

EPA Science Inventory

To accurately predict the fate of contaminants in the environment and to make sound decisions about environmental remediation, we must accurately understand sorption mechanisms and surface reactivity of environmental particles. Sorption of selected pesticides on kaolinite surface...

Study on cavitation effect of mechanical seals with laser-textured porous surface

NASA Astrophysics Data System (ADS)

Liu, T.; Chen, H. l.; Liu, Y. H.; Wang, Q.; Liu, Z. B.; Hou, D. H.

2012-11-01

Study on the mechanisms underlying generation of hydrodynamic pressure effect associated with laser-textured porous surface on mechanical seal, is the key to seal and lubricant properties. The theory model of mechanical seals with laser-textured porous surface (LES-MS) based on cavitation model was established. The LST-MS was calculated and analyzed by using Fluent software with full cavitation model and non-cavitation model and film thickness was predicted by the dynamic mesh technique. The results indicate that the effect of hydrodynamic pressure and cavitation are the important reasons to generate liquid film opening force on LST-MS; Cavitation effect can enhance hydrodynamic pressure effect of LST-MS; The thickness of liquid film could be well predicted with the method of dynamic mesh technique on Fluent and it becomes larger as the increasing of shaft speed and the decreasing of pressure.

Surface Mass Balance of the Columbia Glacier, Alaska, 1978 and 2010 Balance Years

USGS Publications Warehouse

O'Neel, Shad

2012-01-01

Although Columbia Glacier is one of the largest sources of glacier mass loss in Alaska, surface mass balance measurements are sparse, with only a single data set available from 1978. The dearth of surface mass-balance data prohibits partitioning of the total mass losses between dynamics and surface forcing; however, the accurate inclusion of calving glaciers into predictive models requires both dynamic and climatic forcing of total mass balance. During 2010, the U.S. Geological Survey collected surface balance data at several locations distributed over the surface of Columbia Glacier to estimate the glacier-wide annual balance for balance year 2010 using the 2007 area-altitude distribution. This report also summarizes data collected in 1978, calculates the 1978 annual surface balance, and uses these observations to constrain the 2010 values, particularly the shape of the balance profile. Both years exhibit balances indicative of near-equilibrium surface mass-balance conditions, and demonstrate the importance of dynamic processes during the rapid retreat.

Composition-dependent metallic glass alloys correlate atomic mobility with collective glass surface dynamics.

PubMed

Nguyen, Duc; Zhu, Zhi-Guang; Pringle, Brian; Lyding, Joseph; Wang, Wei-Hua; Gruebele, Martin

2016-06-22

Glassy metallic alloys are richly tunable model systems for surface glassy dynamics. Here we study the correlation between atomic mobility, and the hopping rate of surface regions (clusters) that rearrange collectively on a minute to hour time scale. Increasing the proportion of low-mobility copper atoms in La-Ni-Al-Cu alloys reduces the cluster hopping rate, thus establishing a microscopic connection between atomic mobility and dynamics of collective rearrangements at a glass surface made from freshly exposed bulk glass. One composition, La60Ni15Al15Cu10, has a surface resistant to re-crystallization after three heating cycles. When thermally cycled, surface clusters grow in size from about 5 glass-forming units to about 8 glass-forming units, evidence of surface aging without crystal formation, although its bulk clearly forms larger crystalline domains. Such kinetically stable glass surfaces may be of use in applications where glassy coatings stable against heating are needed.

Modeling of hydrogen evolution reaction on the surface of GaInP2

NASA Astrophysics Data System (ADS)

Choi, Woon Ih; Wood, Brandon; Schwegler, Eric; Ogitsu, Tadashi

2012-02-01

GaInP2 is promising candidate material for hydrogen production using sunlight. It reduces solvated proton into hydrogen molecule using light-induced excited electrons in the photoelectrochemical cell. However, it is challenging to model hydrogen evolution reaction (HER) using first-principles molecular dynamics. Instead, we use Anderson-Newns model and generalized solvent coordinate in Marcus-Hush theory to describe adiabatic free energy surface of HER. Model parameters are fitted from the DFT calculations. We model Volmer-Heyrovsky reaction path on the surfaces of CuPt phase of GaInP2. We also discuss effects of surface oxide and catalyst atoms that exist on top of bare surfaces in experimental circumstances.

Stochastic analysis of surface roughness models in quantum wires

NASA Astrophysics Data System (ADS)

Nedjalkov, Mihail; Ellinghaus, Paul; Weinbub, Josef; Sadi, Toufik; Asenov, Asen; Dimov, Ivan; Selberherr, Siegfried

2018-07-01

We present a signed particle computational approach for the Wigner transport model and use it to analyze the electron state dynamics in quantum wires focusing on the effect of surface roughness. Usually surface roughness is considered as a scattering model, accounted for by the Fermi Golden Rule, which relies on approximations like statistical averaging and in the case of quantum wires incorporates quantum corrections based on the mode space approach. We provide a novel computational approach to enable physical analysis of these assumptions in terms of phase space and particles. Utilized is the signed particles model of Wigner evolution, which, besides providing a full quantum description of the electron dynamics, enables intuitive insights into the processes of tunneling, which govern the physical evolution. It is shown that the basic assumptions of the quantum-corrected scattering model correspond to the quantum behavior of the electron system. Of particular importance is the distribution of the density: Due to the quantum confinement, electrons are kept away from the walls, which is in contrast to the classical scattering model. Further quantum effects are retardation of the electron dynamics and quantum reflection. Far from equilibrium the assumption of homogeneous conditions along the wire breaks even in the case of ideal wire walls.

On the ratio of dynamic topography and gravity anomalies in a dynamic Earth

NASA Astrophysics Data System (ADS)

Colli, L.; Ghelichkhan, S.; Bunge, H. P.

2016-12-01

Growing evidence from a variety of geologic indicators points to significant topography maintained convectively by viscous stresses in the mantle. However, while gravity is sensitive to dynamically supported topography, there are only small free-air gravity anomalies (<30 mGal) associated with Earth's long-wavelength topography. This has been used to suggest that surface heights computed assuming a complete isostatic equilibrium provide a good approximation to observed topography. Here we show that the apparent paradox is resolved by the well-established formalism of global, self-gravitating, viscously stratified Earth models. The models predict a complex relation between dynamic topography, mass, and gravity anomalies that is not summarized by a constant admittance—i.e., ratio of gravity anomalies to surface deflections—as one would infer from analytic flow solutions formulated in a half-space.

Landslide Hazard from Coupled Inherent and Dynamic Probabilities

NASA Astrophysics Data System (ADS)

Strauch, R. L.; Istanbulluoglu, E.; Nudurupati, S. S.

2015-12-01

Landslide hazard research has typically been conducted independently from hydroclimate research. We sought to unify these two lines of research to provide regional scale landslide hazard information for risk assessments and resource management decision-making. Our approach couples an empirical inherent landslide probability, based on a frequency ratio analysis, with a numerical dynamic probability, generated by combining subsurface water recharge and surface runoff from the Variable Infiltration Capacity (VIC) macro-scale land surface hydrologic model with a finer resolution probabilistic slope stability model. Landslide hazard mapping is advanced by combining static and dynamic models of stability into a probabilistic measure of geohazard prediction in both space and time. This work will aid resource management decision-making in current and future landscape and climatic conditions. The approach is applied as a case study in North Cascade National Park Complex in northern Washington State.

Test Cases for the Benchmark Active Controls: Spoiler and Control Surface Oscillations and Flutter

NASA Technical Reports Server (NTRS)

Bennett, Robert M.; Scott, Robert C.; Wieseman, Carol D.

2000-01-01

As a portion of the Benchmark Models Program at NASA Langley, a simple generic model was developed for active controls research and was called BACT for Benchmark Active Controls Technology model. This model was based on the previously-tested Benchmark Models rectangular wing with the NACA 0012 airfoil section that was mounted on the Pitch and Plunge Apparatus (PAPA) for flutter testing. The BACT model had an upper surface spoiler, a lower surface spoiler, and a trailing edge control surface for use in flutter suppression and dynamic response excitation. Previous experience with flutter suppression indicated a need for measured control surface aerodynamics for accurate control law design. Three different types of flutter instability boundaries had also been determined for the NACA 0012/PAPA model, a classical flutter boundary, a transonic stall flutter boundary at angle of attack, and a plunge instability near M = 0.9. Therefore an extensive set of steady and control surface oscillation data was generated spanning the range of the three types of instabilities. This information was subsequently used to design control laws to suppress each flutter instability. There have been three tests of the BACT model. The objective of the first test, TDT Test 485, was to generate a data set of steady and unsteady control surface effectiveness data, and to determine the open loop dynamic characteristics of the control systems including the actuators. Unsteady pressures, loads, and transfer functions were measured. The other two tests, TDT Test 502 and TDT Test 5 18, were primarily oriented towards active controls research, but some data supplementary to the first test were obtained. Dynamic response of the flexible system to control surface excitation and open loop flutter characteristics were determined during Test 502. Loads were not measured during the last two tests. During these tests, a database of over 3000 data sets was obtained. A reasonably extensive subset of the data sets from the first two tests have been chosen for Test Cases for computational comparisons concentrating on static conditions and cases with harmonically oscillating control surfaces. Several flutter Test Cases from both tests have also been included. Some aerodynamic comparisons with the BACT data have been made using computational fluid dynamics codes at the Navier-Stokes level (and in the accompanying chapter SC). Some mechanical and active control studies have been presented. In this report several Test Cases are selected to illustrate trends for a variety of different conditions with emphasis on transonic flow effects. Cases for static angles of attack, static trailing-edge and upper-surface spoiler deflections are included for a range of conditions near those for the oscillation cases. Cases for trailing-edge control and upper-surface spoiler oscillations for a range of Mach numbers, angle of attack, and static control deflections are included. Cases for all three types of flutter instability are selected. In addition some cases are included for dynamic response measurements during forced oscillations of the controls on the flexible mount. An overview of the model and tests is given, and the standard formulary for these data is listed. Some sample data and sample results of calculations are presented. Only the static pressures and the first harmonic real and imaginary parts of the pressures are included in the data for the Test Cases, but digitized time histories have been archived. The data for the Test Cases are also available as separate electronic files.

Potential energy surfaces and reaction dynamics of polyatomic molecules

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

Chang, Yan-Tyng

A simple empirical valence bond (EVB) model approach is suggested for constructing global potential energy surfaces for reactions of polyatomic molecular systems. This approach produces smooth and continuous potential surfaces which can be directly utilized in a dynamical study. Two types of reactions are of special interest, the unimolecular dissociation and the unimolecular isomerization. For the first type, the molecular dissociation dynamics of formaldehyde on the ground electronic surface is investigated through classical trajectory calculations on EVB surfaces. The product state distributions and vector correlations obtained from this study suggest very similar behaviors seen in the experiments. The intramolecular hydrogenmore » atom transfer in the formic acid dimer is an example of the isomerization reaction. High level ab initio quantum chemistry calculations are performed to obtain optimized equilibrium and transition state dimer geometries and also the harmonic frequencies.« less

CSDMS2.0: Computational Infrastructure for Community Surface Dynamics Modeling

NASA Astrophysics Data System (ADS)

Syvitski, J. P.; Hutton, E.; Peckham, S. D.; Overeem, I.; Kettner, A.

2012-12-01

The Community Surface Dynamic Modeling System (CSDMS) is an NSF-supported, international and community-driven program that seeks to transform the science and practice of earth-surface dynamics modeling. CSDMS integrates a diverse community of more than 850 geoscientists representing 360 international institutions (academic, government, industry) from 60 countries and is supported by a CSDMS Interagency Committee (22 Federal agencies), and a CSDMS Industrial Consortia (18 companies). CSDMS presently distributes more 200 Open Source models and modeling tools, access to high performance computing clusters in support of developing and running models, and a suite of products for education and knowledge transfer. CSDMS software architecture employs frameworks and services that convert stand-alone models into flexible "plug-and-play" components to be assembled into larger applications. CSDMS2.0 will support model applications within a web browser, on a wider variety of computational platforms, and on other high performance computing clusters to ensure robustness and sustainability of the framework. Conversion of stand-alone models into "plug-and-play" components will employ automated wrapping tools. Methods for quantifying model uncertainty are being adapted as part of the modeling framework. Benchmarking data is being incorporated into the CSDMS modeling framework to support model inter-comparison. Finally, a robust mechanism for ingesting and utilizing semantic mediation databases is being developed within the Modeling Framework. Six new community initiatives are being pursued: 1) an earth - ecosystem modeling initiative to capture ecosystem dynamics and ensuing interactions with landscapes, 2) a geodynamics initiative to investigate the interplay among climate, geomorphology, and tectonic processes, 3) an Anthropocene modeling initiative, to incorporate mechanistic models of human influences, 4) a coastal vulnerability modeling initiative, with emphasis on deltas and their multiple threats and stressors, 5) a continental margin modeling initiative, to capture extreme oceanic and atmospheric events generating turbidity currents in the Gulf of Mexico, and 6) a CZO Focus Research Group, to develop compatibility between CSDMS architecture and protocols and Critical Zone Observatory-developed models and data.

Sum frequency generation and solid-state NMR study of the structure, orientation, and dynamics of polystyrene-adsorbed peptides

PubMed Central

Weidner, Tobias; Breen, Nicholas F.; Li, Kun; Drobny, Gary P.; Castner, David G.

2010-01-01

The power of combining sum frequency generation (SFG) vibrational spectroscopy and solid-state nuclear magnetic resonance (ssNMR) spectroscopy to quantify, with site specificity and atomic resolution, the orientation and dynamics of side chains in synthetic model peptides adsorbed onto polystyrene (PS) surfaces is demonstrated in this study. Although isotopic labeling has long been used in ssNMR studies to site-specifically probe the structure and dynamics of biomolecules, the potential of SFG to probe side chain orientation in isotopically labeled surface-adsorbed peptides and proteins remains largely unexplored. The 14 amino acid leucine-lysine peptide studied in this work is known to form an α-helical secondary structure at liquid-solid interfaces. Selective, individual deuteration of the isopropyl group in each leucine residue was used to probe the orientation and dynamics of each individual leucine side chain of LKα14 adsorbed onto PS. The selective isotopic labeling methods allowed SFG analysis to determine the orientations of individual side chains in adsorbed peptides. Side chain dynamics were obtained by fitting the deuterium ssNMR line shape to specific motional models. Through the combined use of SFG and ssNMR, the dynamic trends observed for individual side chains by ssNMR have been correlated with side chain orientation relative to the PS surface as determined by SFG. This combination provides a more complete and quantitative picture of the structure, orientation, and dynamics of these surface-adsorbed peptides than could be obtained if either technique were used separately. PMID:20628016

Calculations of Helium Bubble Evolution in the PISCES Experiments with Cluster Dynamics

NASA Astrophysics Data System (ADS)

Blondel, Sophie; Younkin, Timothy; Wirth, Brian; Lasa, Ane; Green, David; Canik, John; Drobny, Jon; Curreli, Davide

2017-10-01

Plasma surface interactions in fusion tokamak reactors involve an inherently multiscale, highly non-equilibrium set of phenomena, for which current models are inadequate to predict the divertor response to and feedback on the plasma. In this presentation, we describe the latest code developments of Xolotl, a spatially-dependent reaction diffusion cluster dynamics code to simulate the divertor surface response to fusion-relevant plasma exposure. Xolotl is part of a code-coupling effort to model both plasma and material simultaneously; the first benchmark for this effort is the series of PISCES linear device experiments. We will discuss the processes leading to surface morphology changes, which further affect erosion, as well as how Xolotl has been updated in order to communicate with other codes. Furthermore, we will show results of the sub-surface evolution of helium bubbles in tungsten as well as the material surface displacement under these conditions.

Hydration dynamics promote bacterial coexistence on rough surfaces

PubMed Central

Wang, Gang; Or, Dani

2013-01-01

Identification of mechanisms that promote and maintain the immense microbial diversity found in soil is a central challenge for contemporary microbial ecology. Quantitative tools for systematic integration of complex biophysical and trophic processes at spatial scales, relevant for individual cell interactions, are essential for making progress. We report a modeling study of competing bacterial populations cohabiting soil surfaces subjected to highly dynamic hydration conditions. The model explicitly tracks growth, motion and life histories of individual bacterial cells on surfaces spanning dynamic aqueous networks that shape heterogeneous nutrient fields. The range of hydration conditions that confer physical advantages for rapidly growing species and support competitive exclusion is surprisingly narrow. The rapid fragmentation of soil aqueous phase under most natural conditions suppresses bacterial growth and cell dispersion, thereby balancing conditions experienced by competing populations with diverse physiological traits. In addition, hydration fluctuations intensify localized interactions that promote coexistence through disproportional effects within densely populated regions during dry periods. Consequently, bacterial population dynamics is affected well beyond responses predicted from equivalent and uniform hydration conditions. New insights on hydration dynamics could be considered in future designs of soil bioremediation activities, affect longevity of dry food products, and advance basic understanding of bacterial diversity dynamics and its role in global biogeochemical cycles. PMID:23051694

Implementing Dynamic Root Optimization in Noah-MP for Simulating Phreatophytic Root Water Uptake

NASA Astrophysics Data System (ADS)

Wang, Ping; Niu, Guo-Yue; Fang, Yuan-Hao; Wu, Run-Jian; Yu, Jing-Jie; Yuan, Guo-Fu; Pozdniakov, Sergey P.; Scott, Russell L.

2018-03-01

Widely distributed in arid and semiarid regions, phreatophytic roots extend into the saturated zone and extract water directly from groundwater. In this paper, we implemented a vegetation optimality model of root dynamics (VOM-ROOT) in the Noah land surface model with multiparameterization options (Noah-MP LSM) to model the extraction of groundwater through phreatophytic roots at a riparian site with a hyperarid climate (with precipitation of 35 mm/yr) in northwestern China. VOM-ROOT numerically describes the natural optimization of the root profile in response to changes in subsurface water conditions. The coupled Noah-MP/VOM-ROOT model substantially improves the simulation of surface energy and water fluxes, particularly during the growing season, compared to the prescribed static root profile in the default Noah-MP. In the coupled model, more roots are required to grow into the saturated zone to meet transpiration demand when the groundwater level declines over the growing season. The modeling results indicate that at the study site, the modeled annual transpiration is 472 mm, accounting for 92.3% of the total evapotranspiration. Direct root water uptake from the capillary fringe and groundwater, which is supplied by lateral groundwater flow, accounts for approximately 84% of the total transpiration. This study demonstrates the importance of implementing a dynamic root scheme in a land surface model for adequately simulating phreatophytic root water uptake and the associated latent heat flux.

Blueprint for a coupled model of sedimentology, hydrology, and hydrogeology in streambeds

NASA Astrophysics Data System (ADS)

Partington, Daniel; Therrien, Rene; Simmons, Craig T.; Brunner, Philip

2017-06-01

The streambed constitutes the physical interface between the surface and the subsurface of a stream. Across all spatial scales, the physical properties of the streambed control surface water-groundwater interactions. Continuous alteration of streambed properties such as topography or hydraulic conductivity occurs through erosion and sedimentation processes. Recent studies from the fields of ecology, hydrogeology, and sedimentology provide field evidence that sedimentological processes themselves can be heavily influenced by surface water-groundwater interactions, giving rise to complex feedback mechanisms between sedimentology, hydrology, and hydrogeology. More explicitly, surface water-groundwater exchanges play a significant role in the deposition of fine sediments, which in turn modify the hydraulic properties of the streambed. We explore these feedback mechanisms and critically review the extent of current interaction between the different disciplines. We identify opportunities to improve current modeling practices. For example, hydrogeological models treat the streambed as a static rather than a dynamic entity, while sedimentological models do not account for critical catchment processes such as surface water-groundwater exchange. We propose a blueprint for a new modeling framework that bridges the conceptual gaps between sedimentology, hydrogeology, and hydrology. Specifically, this blueprint (1) fully integrates surface-subsurface flows with erosion, transport, and deposition of sediments and (2) accounts for the dynamic changes in surface elevation and hydraulic conductivity of the streambed. Finally, we discuss the opportunities for new research within the coupled framework.

Studying urban land-atmospheric interactions by coupling an urban canopy model with a single column atmospheric models

NASA Astrophysics Data System (ADS)

Song, J.; Wang, Z.

2013-12-01

Studying urban land-atmospheric interactions by coupling an urban canopy model with a single column atmospheric models Jiyun Song and Zhi-Hua Wang School of Sustainable Engineering and the Built Environment, Arizona State University, PO Box 875306, Tempe, AZ 85287-5306 Landuse landcover changes in urban area will modify surface energy budgets, turbulent fluxes as well as dynamic and thermodynamic structures of the overlying atmospheric boundary layer (ABL). In order to study urban land-atmospheric interactions, we coupled a single column atmospheric model (SCM) to a cutting-edge single layer urban canopy model (SLUCM). Modification of surface parameters such as the fraction of vegetation and engineered pavements, thermal properties of building and pavement materials, and geometrical features of street canyon, etc. in SLUCM dictates the evolution of surface balance of energy, water and momentum. The land surface states then provide lower boundary conditions to the overlying atmosphere, which in turn modulates the modification of ABL structure as well as vertical profiles of temperature, humidity, wind speed and tracer gases. The coupled SLUCM-SCM model is tested against field measurements of surface layer fluxes as well as profiles of temperature and humidity in the mixed layer under convective conditions. After model test, SLUCM-SCM is used to simulate the effect of changing urban land surface conditions on the evolution of ABL structure and dynamics. Simulation results show that despite the prescribed atmospheric forcing, land surface states impose significant impact on the physics of the overlying vertical atmospheric layer. Overall, this numerical framework provides a useful standalone modeling tool to assess the impacts of urban land surface conditions on the local hydrometeorology through land-atmospheric interactions. It also has potentially far-reaching implications to urban ecohydrological services for cities under future expansion and climate challenges.

Including Memory Friction in Single- and Two-State Quantum Dynamics Simulations.

PubMed

Brown, Paul A; Messina, Michael

2016-03-03

We present a simple computational algorithm that allows for the inclusion of memory friction in a quantum dynamics simulation of a small, quantum, primary system coupled to many atoms in the surroundings. We show how including a memory friction operator, F̂, in the primary quantum system's Hamiltonian operator builds memory friction into the dynamics of the primary quantum system. We show that, in the harmonic, semi-classical limit, this friction operator causes the classical phase-space centers of a wavepacket to evolve exactly as if it were a classical particle experiencing memory friction. We also show that this friction operator can be used to include memory friction in the quantum dynamics of an anharmonic primary system. We then generalize the algorithm so that it can be used to treat a primary quantum system that is evolving, non-adiabatically on two coupled potential energy surfaces, i.e., a model that can be used to model H atom transfer, for example. We demonstrate this approach's computational ease and flexibility by showing numerical results for both harmonic and anharmonic primary quantum systems in the single surface case. Finally, we present numerical results for a model of non-adiabatic H atom transfer between a reactant and product state that includes memory friction on one or both of the non-adiabatic potential energy surfaces and uncover some interesting dynamical effects of non-memory friction on the H atom transfer process.

Microhydrodynamics of flotation processes in the sea surface layer

NASA Astrophysics Data System (ADS)

Grammatika, Marianne; Zimmerman, William B.

2001-10-01

The uppermost surface of the ocean forms a peculiarly important ecosystem, the sea surface microlayer (SML). Comprising the top 1-1000 μm of the ocean surface, the SML concentrates many chemical substances, particularly those that are surface active. Important economically as a nursery for fish eggs and larvae, the SML unfortunately is also especially vulnerable to pollution. Contaminants that settle out from the air, have low solubility, or attach to floatable matter tend to accumulate in the SML. Bubbles contribute prominently to the dynamics of air-sea exchanges, playing an important role in geochemical cycling of material in the upper ocean and SML. In addition to the movement of bubbles, the development of a bubble cloud interrelates with the single particle dynamics of all other bubbles and particles. In the early sixties, several in situ oceanographic techniques revealed an "unbelievably immense" number of coastal bubbles of radius 15-300 μm. The spatial and temporal variation of bubble numbers were studied; acoustical oceanographers now use bubbles as tracers to determine ocean processes near the ocean surface. Sea state and rain noises have both been definitively ascribed to the radiation from huge numbers of infant micro bubbles [The Acoustic Bubble. Academic Press, San Diego]. Our research programme aims at constructing a hydrodynamic model for particle transport processes occurring at the microscale, in multi-phase flotation suspensions. Current research addresses bubble and floc microhydrodynamics as building blocks for a microscale transport model. This paper reviews sea surface transport processes in the microlayer and the lower atmosphere, and identifies those amenable to microhydrodynamic modelling and simulation. It presents preliminary simulation results including the multi-body hydrodynamic mobility functions for the modelling of "dynamic bubble filters" and floc suspensions. Hydrodynamic interactions versus spatial anisotropy and size of particle clouds are investigated.

Effects of incoming surface wind conditions on the wake characteristics and dynamic wind loads acting on a wind turbine model

NASA Astrophysics Data System (ADS)

Tian, Wei; Ozbay, Ahmet; Hu, Hui

2014-12-01

An experimental investigation was conducted to examine the effects of incoming surface wind conditions on the wake characteristics and dynamic wind loads acting on a wind turbine model. The experimental study was performed in a large-scale wind tunnel with a scaled three-blade Horizontal Axial Wind Turbine model placed in two different types of Atmospheric Boundary Layer (ABL) winds with distinct mean and turbulence characteristics. In addition to measuring dynamic wind loads acting on the model turbine by using a force-moment sensor, a high-resolution Particle Image Velocimetry system was used to achieve detailed flow field measurements to characterize the turbulent wake flows behind the model turbine. The measurement results reveal clearly that the discrepancies in the incoming surface winds would affect the wake characteristics and dynamic wind loads acting on the model turbine dramatically. The dynamic wind loads acting on the model turbine were found to fluctuate much more significantly, thereby, much larger fatigue loads, for the case with the wind turbine model sited in the incoming ABL wind with higher turbulence intensity levels. The turbulent kinetic energy and Reynolds stress levels in the wake behind the model turbine were also found to be significantly higher for the high turbulence inflow case, in comparison to those of the low turbulence inflow case. The flow characteristics in the turbine wake were found to be dominated by the formation, shedding, and breakdown of various unsteady wake vortices. In comparison with the case with relatively low turbulence intensities in the incoming ABL wind, much more turbulent and randomly shedding, faster dissipation, and earlier breakdown of the wake vortices were observed for the high turbulence inflow case, which would promote the vertical transport of kinetic energy by entraining more high-speed airflow from above to re-charge the wake flow and result in a much faster recovery of the velocity deficits in the turbine wake.

The influence of initial and surface boundary conditions on a model-generated January climatology

NASA Technical Reports Server (NTRS)

Wu, K. F.; Spar, J.

1981-01-01

The influence on a model-generated January climate of various surface boundary conditions, as well as initial conditions, was studied by using the GISS coarse-mesh climate model. Four experiments - two with water planets, one with flat continents, and one with mountains - were used to investigate the effects of initial conditions, and the thermal and dynamical effects of the surface on the model generated-climate. However, climatological mean zonal-symmetric sea surface temperature is used in all four runs over the model oceans. Moreover, zero ground wetness and uniform ground albedo except for snow are used in the last experiments.

The dynamic deformation of a layered viscoelastic medium under surface excitation

NASA Astrophysics Data System (ADS)

Aglyamov, Salavat R.; Wang, Shang; Karpiouk, Andrei B.; Li, Jiasong; Twa, Michael; Emelianov, Stanislav Y.; Larin, Kirill V.

2015-06-01

In this study the dynamic behavior of a layered viscoelastic medium in response to the harmonic and impulsive acoustic radiation force applied to its surface was investigated both theoretically and experimentally. An analytical solution for a layered viscoelastic compressible medium in frequency and time domains was obtained using the Hankel transform. A special incompressible case was considered to model soft biological tissues. To verify our theoretical model, experiments were performed using tissue-like gel-based phantoms with varying mechanical properties. A 3.5 MHz single-element focused ultrasound transducer was used to apply the radiation force at the surface of the phantoms. A phase-sensitive optical coherence tomography system was used to track the displacements of the phantom surface. Theoretically predicted displacements were compared with experimental measurements. The role of the depth dependence of the elastic properties of a medium in its response to an acoustic pulse at the surface was studied. It was shown that the low-frequency vibrations at the surface are more sensitive to the deep layers than high-frequency ones. Therefore, the proposed model in combination with spectral analysis can be used to evaluate depth-dependent distribution of the mechanical properties based on the measurements of the surface deformation.

A quasi-molecular dynamics simulation study on the effect of particles collisions in pulsed-laser desorption

NASA Astrophysics Data System (ADS)

Xinyu-Tan; Duanming-Zhang; Shengqin-Feng; Li, Zhi-hua; Li, Guan; Li, Li; Dan, Liu

2006-05-01

The dynamics characteristic and effect of atoms and particulates ejected from the surface generated by nanosecond pulsed-laser ablation are very important. In this work, based on the consideration of the inelasticity and non-uniformity of the plasma particles thermally desorbed from a plane surface into vacuum induced by nanosecond laser ablation, the one-dimensional particles flow is studied on the basis of a quasi-molecular dynamics (QMD) simulation. It is assumed that atoms and particulates ejected from the surface of a target have a Maxwell velocity distribution corresponding to the surface temperature. Particles collisions in the ablation plume. The particles mass is continuous and satisfies fractal theory distribution. Meanwhile, the particles are inelastic. Our results show that inelasticity and non-uniformity strongly affect the dynamics behavior of the particles flow. Along with the decrease of restitution coefficient e and increase of fractional dimension D, velocity distributions of plasma particles system all deviate from the initial Gaussian distribution. The increasing of dissipation energy ΔE leads to density distribution clusterized and closed up to the center mass. Predictions of the particles action based on the proposed fractal and inelasticity model are found to be in agreement with the experimental observation. This verifies the validity of the present model for the dynamics behavior of pulsed-laser-induced particles flow.

Representing the effects of alpine grassland vegetation cover on the simulation of soil thermal dynamics by ecosystem models applied to the Qinghai-Tibetan Plateau

USGS Publications Warehouse

Yi, S.; Li, N.; Xiang, B.; Wang, X.; Ye, B.; McGuire, A.D.

2013-01-01

Soil surface temperature is a critical boundary condition for the simulation of soil temperature by environmental models. It is influenced by atmospheric and soil conditions and by vegetation cover. In sophisticated land surface models, it is simulated iteratively by solving surface energy budget equations. In ecosystem, permafrost, and hydrology models, the consideration of soil surface temperature is generally simple. In this study, we developed a methodology for representing the effects of vegetation cover and atmospheric factors on the estimation of soil surface temperature for alpine grassland ecosystems on the Qinghai-Tibetan Plateau. Our approach integrated measurements from meteorological stations with simulations from a sophisticated land surface model to develop an equation set for estimating soil surface temperature. After implementing this equation set into an ecosystem model and evaluating the performance of the ecosystem model in simulating soil temperature at different depths in the soil profile, we applied the model to simulate interactions among vegetation cover, freeze-thaw cycles, and soil erosion to demonstrate potential applications made possible through the implementation of the methodology developed in this study. Results showed that (1) to properly estimate daily soil surface temperature, algorithms should use air temperature, downward solar radiation, and vegetation cover as independent variables; (2) the equation set developed in this study performed better than soil surface temperature algorithms used in other models; and (3) the ecosystem model performed well in simulating soil temperature throughout the soil profile using the equation set developed in this study. Our application of the model indicates that the representation in ecosystem models of the effects of vegetation cover on the simulation of soil thermal dynamics has the potential to substantially improve our understanding of the vulnerability of alpine grassland ecosystems to changes in climate and grazing regimes.

Representing the effects of alpine grassland vegetation cover on the simulation of soil thermal dynamics by ecosystem models applied to the Qinghai-Tibetan Plateau

NASA Astrophysics Data System (ADS)

Yi, S.; Li, N.; Xiang, B.; Wang, X.; Ye, B.; McGuire, A. D.

2013-07-01

surface temperature is a critical boundary condition for the simulation of soil temperature by environmental models. It is influenced by atmospheric and soil conditions and by vegetation cover. In sophisticated land surface models, it is simulated iteratively by solving surface energy budget equations. In ecosystem, permafrost, and hydrology models, the consideration of soil surface temperature is generally simple. In this study, we developed a methodology for representing the effects of vegetation cover and atmospheric factors on the estimation of soil surface temperature for alpine grassland ecosystems on the Qinghai-Tibetan Plateau. Our approach integrated measurements from meteorological stations with simulations from a sophisticated land surface model to develop an equation set for estimating soil surface temperature. After implementing this equation set into an ecosystem model and evaluating the performance of the ecosystem model in simulating soil temperature at different depths in the soil profile, we applied the model to simulate interactions among vegetation cover, freeze-thaw cycles, and soil erosion to demonstrate potential applications made possible through the implementation of the methodology developed in this study. Results showed that (1) to properly estimate daily soil surface temperature, algorithms should use air temperature, downward solar radiation, and vegetation cover as independent variables; (2) the equation set developed in this study performed better than soil surface temperature algorithms used in other models; and (3) the ecosystem model performed well in simulating soil temperature throughout the soil profile using the equation set developed in this study. Our application of the model indicates that the representation in ecosystem models of the effects of vegetation cover on the simulation of soil thermal dynamics has the potential to substantially improve our understanding of the vulnerability of alpine grassland ecosystems to changes in climate and grazing regimes.

Conceptual Design and Dynamics Testing and Modeling of a Mars Tumbleweed Rover

NASA Technical Reports Server (NTRS)

Calhoun Philip C.; Harris, Steven B.; Raiszadeh, Behzad; Zaleski, Kristina D.

2005-01-01

The NASA Langley Research Center has been developing a novel concept for a Mars planetary rover called the Mars Tumbleweed. This concept utilizes the wind to propel the rover along the Mars surface, bringing it the potential to cover vast distances not possible with current Mars rover technology. This vehicle, in its deployed configuration, must be large and lightweight to provide the ratio of drag force to rolling resistance necessary to initiate motion from rest on the Mars surface. One Tumbleweed design concept that satisfies these considerations is called the Eggbeater-Dandelion. This paper describes the basic design considerations and a proposed dynamics model of the concept for use in simulation studies. It includes a summary of rolling/bouncing dynamics tests that used videogrammetry to better understand, characterize, and validate the dynamics model assumptions, especially the effective rolling resistance in bouncing/rolling dynamic conditions. The dynamics test used cameras to capture the motion of 32 targets affixed to a test article s outer structure. Proper placement of the cameras and alignment of their respective fields of view provided adequate image resolution of multiple targets along the trajectory as the test article proceeded down the ramp. Image processing of the frames from multiple cameras was used to determine the target positions. Position data from a set of these test runs was compared with results of a three dimensional, flexible dynamics model. Model input parameters were adjusted to match the test data for runs conducted. This process presented herein provided the means to characterize the dynamics and validate the simulation of the Eggbeater-Dandelion concept. The simulation model was used to demonstrate full scale Tumbleweed motion from a stationary condition on a flat-sloped terrain using representative Mars environment parameters.

The study on dynamic properties of monolithic ball end mills with various slenderness

NASA Astrophysics Data System (ADS)

Wojciechowski, Szymon; Tabaszewski, Maciej; Krolczyk, Grzegorz M.; Maruda, Radosław W.

2017-10-01

The reliable determination of modal mass, damping and stiffness coefficient (modal parameters) for the particular machine-toolholder-tool system is essential for the accurate estimation of vibrations, stability and thus the machined surface finish formed during the milling process. Therefore, this paper focuses on the analysis of ball end mill's dynamical properties. The tools investigated during this study are monolithic ball end mills with different slenderness values, made of coated cemented carbide. These kinds of tools are very often applied during the precise milling of curvilinear surfaces. The research program included the impulse test carried out for the investigated tools clamped in the hydraulic toolholder. The obtained modal parameters were further applied in the developed tool's instantaneous deflection model, in order to estimate the tool's working part vibrations during precise milling. The application of the proposed dynamics model involved also the determination of instantaneous cutting forces on the basis of the mechanistic approach. The research revealed that ball end mill's slenderness can be considered as an important milling dynamics and machined surface quality indicator.

Investigation of the role of thermal boundary layer processes in initiating convection under the NASA SPACE Field Program

NASA Technical Reports Server (NTRS)

Mcnider, Richard T.; Song, Aaron; Casey, Dan; Crosson, William; Wetzel, Peter

1993-01-01

The current NWS ground based network is not sufficient to capture the dynamic or thermodynamic structure leading to the initiation and organization of air mass moist convective events. Under this investigation we intend to use boundary layer mesoscale models (McNider and Pielke, 1981) to examine the dynamic triggering of convection due to topography and surface thermal contrasts. VAS and MAN's estimates of moisture will be coupled with the dynamic solution to provide an estimate of the total convective potential. Visible GOES images will be used to specify incoming insolation which may lead to surface thermal contrasts and JR skin temperatures will be used to estimate surface moisture (via the surface thermal inertia) (Weizel and Chang, 1988) which can also induce surface thermal contrasts. We will use the SPACE-COHMEX data base to evaluate the ability of the joint mesoscale model satellite products to show skill in predicting the development of air mass convection. We will develop images of model vertical velocity and satellite thermodynamic measures to derive images of predicted convective potential. We will then after suitable geographic registration carry out a pixel by pixel correlation between the model/satellite convective potential and the 'truth' which are the visible images. During the first half of the first year of this investigation we have concentrated on two aspects of the project. The first has been in generating vertical velocity fields from the model for COHMEX case days. We have taken June 19 as the first case and have run the mesoscale model at several different grid resolutions. We are currently developing the composite model/satellite convective image. The second aspect has been the attempted calibration of the surface energy budget to provide the proper horizontal thermal contrasts for convective initiation. We have made extensive progress on this aspect using the FIFE data as a test data set. The calibration technique looks very promising.

Development of response models for the Earth Radiation Budget Experiment (ERBE) sensors. Part 1: Dynamic models and computer simulations for the ERBE nonscanner, scanner and solar monitor sensors

NASA Technical Reports Server (NTRS)

Halyo, Nesim; Choi, Sang H.; Chrisman, Dan A., Jr.; Samms, Richard W.

1987-01-01

Dynamic models and computer simulations were developed for the radiometric sensors utilized in the Earth Radiation Budget Experiment (ERBE). The models were developed to understand performance, improve measurement accuracy by updating model parameters and provide the constants needed for the count conversion algorithms. Model simulations were compared with the sensor's actual responses demonstrated in the ground and inflight calibrations. The models consider thermal and radiative exchange effects, surface specularity, spectral dependence of a filter, radiative interactions among an enclosure's nodes, partial specular and diffuse enclosure surface characteristics and steady-state and transient sensor responses. Relatively few sensor nodes were chosen for the models since there is an accuracy tradeoff between increasing the number of nodes and approximating parameters such as the sensor's size, material properties, geometry, and enclosure surface characteristics. Given that the temperature gradients within a node and between nodes are small enough, approximating with only a few nodes does not jeopardize the accuracy required to perform the parameter estimates and error analyses.

A Gas-Surface Interaction Model based on Accelerated Reactive Molecular Dynamics for Hypersonic Conditions including Thermal Conduction

DTIC Science & Technology

2012-02-28

Interaction Model based on Accelerated Reactive Molecular Dynamics for Hypersonic conditions including Thermal Conduction FA9550-09-1-0157 Schwartzentruber...Dynamics for Hypersonic Conditions including Thermal Conduction Grant/Contract Number: FA9550-09-1-0157 Program Manager: Dr. John Schmisseur PI...through the boundary layer and may chemically react with the vehicle’s thermal protection system (TPS). Many TPS materials act as a catalyst for the

The Potsdam Parallel Ice Sheet Model (PISM-PIK) - Part 2: Dynamic equilibrium simulation of the Antarctic ice sheet

NASA Astrophysics Data System (ADS)

Martin, M. A.; Winkelmann, R.; Haseloff, M.; Albrecht, T.; Bueler, E.; Khroulev, C.; Levermann, A.

2011-09-01

We present a dynamic equilibrium simulation of the ice sheet-shelf system on Antarctica with the Potsdam Parallel Ice Sheet Model (PISM-PIK). The simulation is initialized with present-day conditions for bed topography and ice thickness and then run to steady state with constant present-day surface mass balance. Surface temperature and sub-shelf basal melt distribution are parameterized. Grounding lines and calving fronts are free to evolve, and their modeled equilibrium state is compared to observational data. A physically-motivated calving law based on horizontal spreading rates allows for realistic calving fronts for various types of shelves. Steady-state dynamics including surface velocity and ice flux are analyzed for whole Antarctica and the Ronne-Filchner and Ross ice shelf areas in particular. The results show that the different flow regimes in sheet and shelves, and the transition zone between them, are captured reasonably well, supporting the approach of superposition of SIA and SSA for the representation of fast motion of grounded ice. This approach also leads to a natural emergence of sliding-dominated flow in stream-like features in this new 3-D marine ice sheet model.

Interactions Between Mineral Surfaces, Substrates, Enzymes, and Microbes Result in Hysteretic Temperature Sensitivities and Microbial Carbon Use Efficiencies and Weaker Predicted Carbon-Climate Feedbacks

NASA Astrophysics Data System (ADS)

Riley, W. J.; Tang, J.

2014-12-01

We hypothesize that the large observed variability in decomposition temperature sensitivity and carbon use efficiency arises from interactions between temperature, microbial biogeochemistry, and mineral surface sorptive reactions. To test this hypothesis, we developed a numerical model that integrates the Dynamic Energy Budget concept for microbial physiology, microbial trait-based community structure and competition, process-specific thermodynamically ­­based temperature sensitivity, a non-linear mineral sorption isotherm, and enzyme dynamics. We show, because mineral surfaces interact with substrates, enzymes, and microbes, both temperature sensitivity and microbial carbon use efficiency are hysteretic and highly variable. Further, by mimicking the traditional approach to interpreting soil incubation observations, we demonstrate that the conventional labile and recalcitrant substrate characterization for temperature sensitivity is flawed. In a 4 K temperature perturbation experiment, our fully dynamic model predicted more variable but weaker carbon-climate feedbacks than did the static temperature sensitivity and carbon use efficiency model when forced with yearly, daily, and hourly variable temperatures. These results imply that current earth system models likely over-estimate the response of soil carbon stocks to global warming.

Cell Surface Mechanochemistry and the Determinants of Bleb Formation, Healing, and Travel Velocity

PubMed Central

Manakova, Kathryn; Yan, Huaming; Lowengrub, John; Allard, Jun

2016-01-01

Blebs are pressure-driven cell protrusions implicated in cellular functions such as cell division, apoptosis, and cell motility, including motility of protease-inhibited cancer cells. Because of their mechanical nature, blebs inform us about general cell-surface mechanics, including membrane dynamics, pressure propagation throughout the cytoplasm, and the architecture and dynamics of the actin cortex. Mathematical models including detailed fluid dynamics have previously been used to understand bleb expansion. Here, we develop mathematical models in two and three dimensions on longer timescales that recapitulate the full bleb life cycle, including both expansion and healing by cortex reformation, in terms of experimentally accessible biophysical parameters such as myosin contractility, osmotic pressure, and turnover of actin and ezrin. The model provides conditions under which blebbing occurs, and naturally gives rise to traveling blebs. The model predicts conditions under which blebs travel or remain stationary, as well as the bleb traveling velocity, a quantity that has remained elusive in previous models. As previous studies have used blebs as reporters of membrane tension and pressure dynamics within the cell, we have used our system to investigate various pressure equilibration models and dynamic, nonuniform membrane tension to account for the shape of a traveling bleb. We also find that traveling blebs tend to expand in all directions unless otherwise constrained. One possible constraint could be provided by spatial heterogeneity in, for example, adhesion density. PMID:27074688

Nanodroplets Impact on Rough Surfaces: A Simulation and Theoretical Study.

PubMed

Gao, Shan; Liao, Quanwen; Liu, Wei; Liu, Zhichun

2018-05-22

Impact of droplets is widespread in life, and modulating the dynamics of impinging droplets is a significant problem in production. However, on textured surfaces, the micromorphologic change and mechanism of impinging nanodroplets are not well-understood; furthermore, the accuracy of the theoretical model for nanodroplets needs to be improved. Here, considering the great challenge of conducting experiments on nanodroplets, a molecular dynamics simulation is performed to visualize the impact process of nanodroplets on nanopillar surfaces. Compared with macroscale droplets, apart from the similar relation of restitution coefficient with the Weber number, we found some distinctive results: the maximum spreading time is described as a power law of impact velocity, and the relation of maximum spreading factor with impact velocity or the Reynolds number is exponential. Moreover, the roughness of substrates plays a prominent role in the dynamics of impact nanodroplets, and on surfaces with lower solid fraction, the lower attraction force induces an easier rebound of impact nanodroplets. At last, on the basis of the energy balance, through modifying the estimation of viscous dissipation and surface energy terms, we proposed an improved model for the maximum spreading factor, which shows greater accuracy for nanodroplets, especially in the low-to-moderate velocity range. The outcome of this study demonstrates that a distinctive dynamical behavior of impinging nanodroplets, the fundamental insight, and more accurate prediction are very useful in the improvement of the hydrodynamic behavior of the nanodroplets.

Modeling Coupled Landscape Evolution and Soil Organic Carbon Dynamics in Intensively Management Landscapes

NASA Astrophysics Data System (ADS)

Yan, Q.; Kumar, P.

2017-12-01

Soil is the largest reservoir of carbon in the biosphere but in agricultural areas it is going through rapid erosion due disturbance arising from crop harvest, tillage, and tile drainage. Identifying whether the production of soil organic carbon (SOC) from the crops can compensate for the loss due to erosion is critical to ensure our food security and adapt to climate change. In the U.S. Midwest where large areas of land are intensively managed for agriculture practices, predicting soil quantity and quality are critical for maintaining crop yield and other Critical Zone services. This work focuses on modeling the coupled landscape evolutions soil organic carbon dynamics in agricultural fields. It couples landscape evolution, surface water runoff, organic matter transformation, and soil moisture dynamics to understand organic carbon gain and loss due to natural forcing and farming practices, such as fertilizer application and tillage. A distinctive feature of the model is the coupling of surface ad subsurface processes that predicts both surficial changes and transport along with the vertical transport and dynamics. Our results show that landscape evolution and farming practices play dominant roles in soil organic carbon (SOC) dynamics both above- and below-ground. Contrary to the common assumption that a vertical profile of SOC concentration decreases exponentially with depth, we find that in many situations SOC concentration below-ground could be higher than that at the surface. Tillage plays a complex role in organic matter dynamics. On one hand, tillage would accelerate the erosion rate, on the other hand, it would improve carbon storage by burying surface SOC into below ground. Our model consistently reproduces the observed above- and below-ground patterns of SOC in the field sites of Intensively Managed Landscapes Critical Zone Observatory (IMLCZO). This model bridges the gaps between the landscape evolution, below- and above-ground hydrologic cycle, and biogeochemical processes. This study not only helps us understand the coupled carbon-nitrogen cycle, but also serve as an instrument to develop practical approaches for reducing soil erosion and carbon loss when the landscape is affected by human activities.

Dynamics of CO2 scattering off a perfluorinated self-assembled monolayer. Influence of the incident collision energy, mass effects, and use of different surface models.

PubMed

Nogueira, Juan J; Vázquez, Saulo A; Mazyar, Oleg A; Hase, William L; Perkins, Bradford G; Nesbitt, David J; Martínez-Núñez, Emilio

2009-04-23

The dynamics of collisions of CO2 with a perfluorinated alkanethiol self-assembled monolayer (F-SAM) on gold were investigated by classical trajectory calculations using explicit atom (EA) and united atom (UA) models to represent the F-SAM surface. The CO2 molecule was directed perpendicularly to the surface at initial collision energies of 1.6, 4.7, 7.7, and 10.6 kcal/mol. Rotational distributions of the scattered CO2 molecules are in agreement with experimental distributions determined for collisions of CO2 with liquid surfaces of perfluoropolyether. The agreement is especially good for the EA model. The role of the mass in the efficiency of the energy transfer was investigated in separate simulations in which the mass of the F atoms was replaced by either that of hydrogen or chlorine, while keeping the potential energy function unchanged. The calculations predict the observed trend that less energy is transferred to the surface as the mass of the alkyl chains increases. Significant discrepancies were found between results obtained with the EA and UA models. The UA surface leads to an enhancement of the energy transfer efficiency in comparison with the EA surface. The reason for this is in the softer structure of the UA surface, which facilitates transfer from translation to interchain vibrational modes.

Surface properties of ocean fronts

NASA Technical Reports Server (NTRS)

Wolff, P. M.; Hubert, W. E.

1976-01-01

Background information on oceanic fronts is presented and the results of several models which were developed to study the dynamics of oceanic fronts and their effects on various surface properties are described. The details of the four numerical models used in these studies are given in separate appendices which contain all of the physical equations, program documentation and running instructions for the models.

Computational Fluid Dynamics Simulation of Flows in an Oxidation Ditch Driven by a New Surface Aerator.

PubMed

Huang, Weidong; Li, Kun; Wang, Gan; Wang, Yingzhe

2013-11-01

In this article, we present a newly designed inverse umbrella surface aerator, and tested its performance in driving flow of an oxidation ditch. Results show that it has a better performance in driving the oxidation ditch than the original one with higher average velocity and more uniform flow field. We also present a computational fluid dynamics model for predicting the flow field in an oxidation ditch driven by a surface aerator. The improved momentum source term approach to simulate the flow field of the oxidation ditch driven by an inverse umbrella surface aerator was developed and validated through experiments. Four kinds of turbulent models were investigated with the approach, including the standard k - ɛ model, RNG k - ɛ model, realizable k - ɛ model, and Reynolds stress model, and the predicted data were compared with those calculated with the multiple rotating reference frame approach (MRF) and sliding mesh approach (SM). Results of the momentum source term approach are in good agreement with the experimental data, and its prediction accuracy is better than MRF, close to SM. It is also found that the momentum source term approach has lower computational expenses, is simpler to preprocess, and is easier to use.

Using WEED to simulate the global wetland distribution in a ESM

NASA Astrophysics Data System (ADS)

Stacke, Tobias; Hagemann, Stefan

2016-04-01

Lakes and wetlands are an important land surface feature. In terms of hydrology, they regulate river discharge, mitigate flood events and constitute a significant surface water storage. Considering physical processes, they link the surface water and energy balances by altering the separation of incoming energy into sensible and latent heat fluxes. Finally, they impact biogeochemical processes and may act as carbon sinks or sources. Most global hydrology and climate models regard wetland extent and properties as constant in time. However, to study interactions between wetlands and different states of climate, it is necessary to implement surface water bodies (thereafter referred to as wetlands) with dynamical behavior into these models. Besides an improved representation of geophysical feedbacks between wetlands, land surface and atmosphere, a dynamical wetland scheme could also provide estimates of soil wetness as input for biogeochemical models, which are used to compute methane production in wetlands. Recently, a model for the representation of wetland extent dynamics (WEED) was developed as part of the hydrology model (MPI-HM) of the Max-Planck-Institute for Meteorology (MPI-M). The WEED scheme computes wetland extent in agreement with the range of observations for the high northern latitudes. It simulates a realistic seasonal cycle which shows sensitivity to northern snow-melt as well as rainy seasons in the tropics. Furthermore, flood peaks in river discharge are mitigated. However, the WEED scheme overestimates wetland extent in the Tropics which might be related to the MPI-HM's simplified potential evapotranspiration computation. In order to overcome this limitation, the WEED scheme is implemented into the MPI-M's land surface model JSBACH. Thus, not only its effect on water fluxes can be investigated but also its impact on the energy cycle, which is not included in the MPI-HM. Furthermore, it will be possible to analyze the physical effects of wetlands in a coupled land-atmosphere simulation. First simulations with JSBACH-WEED show results similar to the MPI-HM simulations. As the next step, the scheme is modified to account for energy cycle relevant issues such as the dynamical alteration of surface albedo as well as the allocation of appropriate thermal properties to the wetlands. In our presentation, we will give an overview on the functionality of the WEED scheme and the effect of wetlands in coupled land-atmosphere simulations.

Improved High Resolution Models of Subduction Dynamics: Use of transversely isotropic viscosity with a free-surface

NASA Astrophysics Data System (ADS)

Liu, X.; Gurnis, M.; Stadler, G.; Rudi, J.; Ratnaswamy, V.; Ghattas, O.

2017-12-01

Dynamic topography, or uncompensated topography, is controlled by internal dynamics, and provide constraints on the buoyancy structure and rheological parameters in the mantle. Compared with other surface manifestations such as the geoid, dynamic topography is very sensitive to shallower and more regional mantle structure. For example, the significant dynamic topography above the subduction zone potentially provides a rich mine for inferring the rheological and mechanical properties such as plate coupling, flow, and lateral viscosity variations, all critical in plate tectonics. However, employing subduction zone topography in the inversion study requires that we have a better understanding of the topography from forward models, especially the influence of the viscosity formulation, numerical resolution, and other factors. One common approach to formulating a fault between the subducted slab and the overriding plates in viscous flow models assumes a thin weak zone. However, due to the large lateral variation in viscosity, topography from free-slip numerical models typically has artificially large magnitude as well as high-frequency undulations over subduction zone, which adds to the difficulty in making comparisons between model results and observations. In this study, we formulate a weak zone with the transversely isotropic viscosity (TI) where the tangential viscosity is much smaller than the viscosity in the normal direction. Similar with isotropic weak zone models, TI models effectively decouple subducted slabs from the overriding plates. However, we find that the topography in TI models is largely reduced compared with that in weak zone models assuming an isotropic viscosity. Moreover, the artificial `tooth paste' squeezing effect observed in isotropic weak zone models vanishes in TI models, although the difference becomes less significant when the dip angle is small. We also implement a free-surface condition in our numerical models, which has a smoothing effect on the topography. With the improved model configuration, we can use the adjoint inversion method in a high-resolution model and employ topography in addition to other observables such as the plate motion to infer critical mechanical and rheological parameters in the subduction zone.

Understanding the Impacts of Climate Change and Land Use Dynamics Using a Fully Coupled Hydrologic Feedback Model between Surface and Subsurface Systems

NASA Astrophysics Data System (ADS)

Park, C.; Lee, J.; Koo, M.

2011-12-01

Climate is the most critical driving force of the hydrologic system of the Earth. Since the industrial revolution, the impacts of anthropogenic activities to the Earth environment have been expanded and accelerated. Especially, the global emission of carbon dioxide into the atmosphere is known to have significantly increased temperature and affected the hydrologic system. Many hydrologists have contributed to the studies regarding the climate change on the hydrologic system since the Intergovernmental Panel on Climate Change (IPCC) was created in 1988. Among many components in the hydrologic system groundwater and its response to the climate change and anthropogenic activities are not fully understood due to the complexity of subsurface conditions between the surface and the groundwater table. A new spatio-temporal hydrologic model has been developed to estimate the impacts of climate change and land use dynamics on the groundwater. The model consists of two sub-models: a surface model and a subsurface model. The surface model involves three surface processes: interception, runoff, and evapotranspiration, and the subsurface model does also three subsurface processes: soil moisture balance, recharge, and groundwater flow. The surface model requires various input data including land use, soil types, vegetation types, topographical elevations, and meteorological data. The surface model simulates daily hydrological processes for rainfall interception, surface runoff varied by land use change and crop growth, and evapotranspiration controlled by soil moisture balance. The daily soil moisture balance is a key element to link two sub-models as it calculates infiltration and groundwater recharge by considering a time delay routing through a vadose zone down to the groundwater table. MODFLOW is adopted to simulate groundwater flow and interaction with surface water components as well. The model is technically flexible to add new model or modify existing model as it is developed with an object-oriented language - Python. The model also can easily be localized by simple modification of soil and crop properties. The actual application of the model after calibration was successful and results showed reliable water balance and interaction between the surface and subsurface hydrologic systems.

Constructing polyatomic potential energy surfaces by interpolating diabatic Hamiltonian matrices with demonstration on green fluorescent protein chromophore

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

Park, Jae Woo; Rhee, Young Min, E-mail: ymrhee@postech.ac.kr; Department of Chemistry, Pohang University of Science and Technology

2014-04-28

Simulating molecular dynamics directly on quantum chemically obtained potential energy surfaces is generally time consuming. The cost becomes overwhelming especially when excited state dynamics is aimed with multiple electronic states. The interpolated potential has been suggested as a remedy for the cost issue in various simulation settings ranging from fast gas phase reactions of small molecules to relatively slow condensed phase dynamics with complex surrounding. Here, we present a scheme for interpolating multiple electronic surfaces of a relatively large molecule, with an intention of applying it to studying nonadiabatic behaviors. The scheme starts with adiabatic potential information and its diabaticmore » transformation, both of which can be readily obtained, in principle, with quantum chemical calculations. The adiabatic energies and their derivatives on each interpolation center are combined with the derivative coupling vectors to generate the corresponding diabatic Hamiltonian and its derivatives, and they are subsequently adopted in producing a globally defined diabatic Hamiltonian function. As a demonstration, we employ the scheme to build an interpolated Hamiltonian of a relatively large chromophore, para-hydroxybenzylidene imidazolinone, in reference to its all-atom analytical surface model. We show that the interpolation is indeed reliable enough to reproduce important features of the reference surface model, such as its adiabatic energies and derivative couplings. In addition, nonadiabatic surface hopping simulations with interpolation yield population transfer dynamics that is well in accord with the result generated with the reference analytic surface. With these, we conclude by suggesting that the interpolation of diabatic Hamiltonians will be applicable for studying nonadiabatic behaviors of sizeable molecules.« less

Exact results for quench dynamics and defect production in a two-dimensional model.

PubMed

Sengupta, K; Sen, Diptiman; Mondal, Shreyoshi

2008-02-22

We show that for a d-dimensional model in which a quench with a rate tau(-1) takes the system across a (d-m)-dimensional critical surface, the defect density scales as n approximately 1/tau(mnu/(znu+1)), where nu and z are the correlation length and dynamical critical exponents characterizing the critical surface. We explicitly demonstrate that the Kitaev model provides an example of such a scaling with d = 2 and m = nu = z = 1. We also provide the first example of an exact calculation of some multispin correlation functions for a two-dimensional model that can be used to determine the correlation between the defects. We suggest possible experiments to test our theory.

Model for the dynamics of two interacting axisymmetric spherical bubbles undergoing small shape oscillations

PubMed Central

Kurihara, Eru; Hay, Todd A.; Ilinskii, Yurii A.; Zabolotskaya, Evgenia A.; Hamilton, Mark F.

2011-01-01

Interaction between acoustically driven or laser-generated bubbles causes the bubble surfaces to deform. Dynamical equations describing the motion of two translating, nominally spherical bubbles undergoing small shape oscillations in a viscous liquid are derived using Lagrangian mechanics. Deformation of the bubble surfaces is taken into account by including quadrupole and octupole perturbations in the spherical-harmonic expansion of the boundary conditions on the bubbles. Quadratic terms in the quadrupole and octupole amplitudes are retained, and surface tension and shear viscosity are included in a consistent manner. A set of eight coupled second-order ordinary differential equations is obtained. Simulation results, obtained by numerical integration of the model equations, exhibit qualitative agreement with experimental observations by predicting the formation of liquid jets. Simulations also suggest that bubble-bubble interactions act to enhance surface mode instability. PMID:22088009

Sub-monolayer growth of Ag on flat and nanorippled SiO{sub 2} surfaces

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

Bhatnagar, Mukul; Ranjan, Mukesh; Mukherjee, Subroto

2016-05-30

In-situ Rutherford Backscattering Spectrometry (RBS) and Molecular Dynamics (MD) simulations have been used to investigate the growth dynamics of silver on a flat and the rippled silica surface. The calculated sticking coefficient of silver over a range of incidence angles shows a similar behaviour to the experimental results for an average surface binding energy of a silver adatom of 0.2 eV. This value was used to parameterise the MD model of the cumulative deposition of silver in order to understand the growth mechanisms. Both the model and the RBS results show marginal difference between the atomic concentration of silver on themore » flat and the rippled silica surface, for the same growth conditions. For oblique incidence, cluster growth occurs mainly on the leading edge of the rippled structure.« less

Predicting infant cortical surface development using a 4D varifold-based learning framework and local topography-based shape morphing.

PubMed

Rekik, Islem; Li, Gang; Lin, Weili; Shen, Dinggang

2016-02-01

Longitudinal neuroimaging analysis methods have remarkably advanced our understanding of early postnatal brain development. However, learning predictive models to trace forth the evolution trajectories of both normal and abnormal cortical shapes remains broadly absent. To fill this critical gap, we pioneered the first prediction model for longitudinal developing cortical surfaces in infants using a spatiotemporal current-based learning framework solely from the baseline cortical surface. In this paper, we detail this prediction model and even further improve its performance by introducing two key variants. First, we use the varifold metric to overcome the limitations of the current metric for surface registration that was used in our preliminary study. We also extend the conventional varifold-based surface registration model for pairwise registration to a spatiotemporal surface regression model. Second, we propose a morphing process of the baseline surface using its topographic attributes such as normal direction and principal curvature sign. Specifically, our method learns from longitudinal data both the geometric (vertices positions) and dynamic (temporal evolution trajectories) features of the infant cortical surface, comprising a training stage and a prediction stage. In the training stage, we use the proposed varifold-based shape regression model to estimate geodesic cortical shape evolution trajectories for each training subject. We then build an empirical mean spatiotemporal surface atlas. In the prediction stage, given an infant, we select the best learnt features from training subjects to simultaneously predict the cortical surface shapes at all later timepoints, based on similarity metrics between this baseline surface and the learnt baseline population average surface atlas. We used a leave-one-out cross validation method to predict the inner cortical surface shape at 3, 6, 9 and 12 months of age from the baseline cortical surface shape at birth. Our method attained a higher prediction accuracy and better captured the spatiotemporal dynamic change of the highly folded cortical surface than the previous proposed prediction method. Copyright © 2015 Elsevier B.V. All rights reserved.

Global simulation of interactions between groundwater and terrestrial ecosystems

NASA Astrophysics Data System (ADS)

Braakhekke, M. C.; Rebel, K.; Dekker, S. C.; Smith, B.; Van Beek, L. P.; Sutanudjaja, E.; van Kampenhout, L.; Wassen, M. J.

2016-12-01

In many places in the world ecosystems are influenced by the presence of a shallow groundwater table. In these regions upward water flux due to capillary rise increases soil moisture availability in the root zone, which has strong positive effect on evapotranspiration. Additionally it has important consequences for vegetation dynamics and fluxes of carbon and nitrogen. Under water limited conditions shallow groundwater stimulates vegetation productivity, and soil organic matter decomposition while under saturated conditions groundwater may have a negative effect on these processes due to lack of oxygen. Furthermore, since plant species differ with respect to their root distribution, preference for moisture conditions, and resistance to oxygen stress, shallow groundwater also influences vegetation type. Finally, processes such as denitrification and methane production occur under strictly anaerobic conditions and are thus strongly influenced by moisture availability. Most global hydrological models and several land surface models simulate groundwater table dynamics and their effects on land surface processes. However, these models typically have relatively simplistic representation of vegetation and do not consider changes in vegetation type and structure and are therefore less suitable to represent effects of groundwater on biogeochemical fluxes. Dynamic global vegetation models (DGVMs), describe land surface from an ecological perspective, combining detailed description of vegetation dynamics and structure and biogeochemical processes. These models are thus more appropriate to simulate the ecological and biogeochemical effects of groundwater interactions. However, currently virtually all DGVMs ignore these effects, assuming that water tables are too deep to affect soil moisture in the root zone. We have implemented a tight coupling between the dynamic global ecosystem model LPJ-GUESS and the global hydrological model PCR-GLOBWB. Using this coupled model we aim to study the influence of shallow groundwater on terrestrial ecosystem processes. We will present results of global simulations to demonstrate the effects on C, N, and water fluxes.

Impact of cloud timing on surface temperature and related hydroclimatic dynamics

NASA Astrophysics Data System (ADS)

Porporato, A. M.; Yin, J.

2015-12-01

Cloud feedbacks have long been identified as one of the largest source of uncertainty in climate change predictions. Differences in the spatial distribution of clouds and the related impact on surface temperature and climate dynamics have been recently emphasized in quasi-equilibrium General Circulation Models (GCM). However, much less attention has been paid to the temporal variation of cloud presence and thickness. Clouds in fact shade the solar radiation during the daytime, but also acts as greenhouse gas to reduce the emission of longwave radiation to the outer space anytime of the day. Thus it is logical to expect that even small differences in timing and thickness of clouds could result in very different predictions in GCMs. In this study, these two effects of cloud dynamics are analyzed by tracking the cloud impacts on longwave and shortwave radiation in a minimalist transient thermal balance model of the land surface. The marked changes in surface temperature due to alterations in the timing of onset of clouds demonstrate that capturing temporal variation of cloud at sub-daily scale should be a priority in cloud parameterization schemes in GCMs.

Impact of vegetation dynamics on hydrological processes in a semi-arid basin by using a land surface-hydrology coupled model

NASA Astrophysics Data System (ADS)

Jiao, Yang; Lei, Huimin; Yang, Dawen; Huang, Maoyi; Liu, Dengfeng; Yuan, Xing

2017-08-01

Land surface models (LSMs) are widely used to understand the interactions between hydrological processes and vegetation dynamics, which is important for the attribution and prediction of regional hydrological variations. However, most LSMs have large uncertainties in their representations of eco-hydrological processes due to deficiencies in hydrological parameterizations. In this study, the Community Land Model version 4 (CLM4) LSM was modified with an advanced runoff generation and flow routing scheme, resulting in a new land surface-hydrology coupled model, CLM-GBHM. Both models were implemented in the Wudinghe River Basin (WRB), which is a semi-arid basin located in the middle reaches of the Yellow River, China. Compared with CLM, CLM-GBHM increased the Nash Sutcliffe efficiency for daily river discharge simulation (1965-1969) from -0.03 to 0.23 and reduced the relative bias in water table depth simulations (2010-2012) from 32.4% to 13.4%. The CLM-GBHM simulations with static, remotely sensed and model-predicted vegetation conditions showed that the vegetation in the WRB began to recover in the 2000s due to the Grain for Green Program but had not reached the same level of vegetation cover as regions in natural eco-hydrological equilibrium. Compared with a simulation using remotely sensed vegetation cover, the simulation with a dynamic vegetation model that considers only climate-induced change showed a 10.3% increase in evapotranspiration, a 47.8% decrease in runoff, and a 62.7% and 71.3% deceleration in changing trend of the outlet river discharge before and after the year 2000, respectively. This result suggests that both natural and anthropogenic factors should be incorporated in dynamic vegetation models to better simulate the eco-hydrological cycle.

Modeling Earthquake Rupture and Corresponding Tsunamis Along a Segment of the Alaskan-Aleutian Megathrust

NASA Astrophysics Data System (ADS)

Ryan, K. J.; Geist, E. L.; Oglesby, D. D.; Kyriakopoulos, C.

2016-12-01

Motivated by the 2011 Mw 9 Tohoku-Oki event, we explore the effects of realistic fault dynamics on slip, free surface deformation, and the resulting tsunami generation and local propagation from a hypothetical Mw 9 megathrust earthquake along the Alaskan-Aleutian (A-A) Megathrust. We demonstrate three scenarios: a spatially-homogenous prestress and frictional parameter model and two models with rate-strengthening-like friction (e.g., Dieterich, 1992). We use a dynamic finite element code to model 3-D ruptures, using time-weakening friction (Andrews, 2004) as a proxy for rate-strengthening friction, along a portion of the A-A subduction zone. Given geometric, material, and plate-coupling data along the A-A megathrust assembled from the Science Application for Risk Reduction (SAFRR) team (e.g., Bruns et al., 1987; Hayes et al., 2012; Johnson et al., 2004; Santini et al., 2003; Wells at al., 2003), we are able to dynamically model rupture. Adding frictional-strengthening to a region of the fault reduces both average slip and free surface displacement above the strengthening zone, with the magnitude of the reductions depending on the strengthening zone location. Corresponding tsunami models, which use a finite difference method to solve the long-wave equations (e.g., Liu et al., 1995; Satake, 2002; Shuto, 1991), match sea floor displacement, in time, to the free surface displacement from the rupture models. Tsunami models show changes in local peak amplitudes and beaming patterns for each slip distribution. Given these results, other heterogeneous parameterizations, with respect to prestress and friction, still need to be examined. Additionally, a more realistic fault geometry will likely affect the rupture dynamics. Thus, future work will incorporate stochastic stress and friction distributions as well as a more complex fault geometry based on Slab 1.0 (Hayes et al., 2012).

Impact of vegetation dynamics on hydrological processes in a semi-arid basin by using a land surface-hydrology coupled model

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

Jiao, Yang; Lei, Huimin; Yang, Dawen

Land surface models (LSMs) are widely used to understand the interactions between hydrological processes and vegetation dynamics, which is important for the attribution and prediction of regional hydrological variations. However, most LSMs have large uncertainties in their representations of ecohydrological processes due to deficiencies in hydrological parameterizations. In this study, the Community Land Model version 4 (CLM4) LSM was modified with an advanced runoff generation and flow routing scheme, resulting in a new land surface-hydrology coupled model, CLM-GBHM. Both models were implemented in the Wudinghe River Basin (WRB), which is a semi-arid basin located in the middle reaches of themore » Yellow River, China. Compared with CLM, CLM-GBHM increased the Nash Sutcliffe efficiency for daily river discharge simulation (1965–1969) from 0.03 to 0.23 and reduced the relative bias in water table depth simulations (2010–2012) from 32.4% to 13.4%. The CLM-GBHM simulations with static, remotely sensed and model-predicted vegetation conditions showed that the vegetation in the WRB began to recover in the 2000s due to the Grain for Green Program but had not reached the same level of vegetation cover as regions in natural eco-hydrological equilibrium. Compared with a simulation using remotely sensed vegetation cover, the simulation with a dynamic vegetation model that considers only climate-induced change showed a 10.3% increase in evapotranspiration, a 47.8% decrease in runoff, and a 62.7% and 71.3% deceleration in changing trend of the outlet river discharge before and after the year 2000, respectively. This result suggests that both natural and anthropogenic factors should be incorporated in dynamic vegetation models to better simulate the eco-hydrological cycle.« less

The dynamical core of the Aeolus 1.0 statistical-dynamical atmosphere model: validation and parameter optimization

NASA Astrophysics Data System (ADS)

Totz, Sonja; Eliseev, Alexey V.; Petri, Stefan; Flechsig, Michael; Caesar, Levke; Petoukhov, Vladimir; Coumou, Dim

2018-02-01

We present and validate a set of equations for representing the atmosphere's large-scale general circulation in an Earth system model of intermediate complexity (EMIC). These dynamical equations have been implemented in Aeolus 1.0, which is a statistical-dynamical atmosphere model (SDAM) and includes radiative transfer and cloud modules (Coumou et al., 2011; Eliseev et al., 2013). The statistical dynamical approach is computationally efficient and thus enables us to perform climate simulations at multimillennia timescales, which is a prime aim of our model development. Further, this computational efficiency enables us to scan large and high-dimensional parameter space to tune the model parameters, e.g., for sensitivity studies.Here, we present novel equations for the large-scale zonal-mean wind as well as those for planetary waves. Together with synoptic parameterization (as presented by Coumou et al., 2011), these form the mathematical description of the dynamical core of Aeolus 1.0.We optimize the dynamical core parameter values by tuning all relevant dynamical fields to ERA-Interim reanalysis data (1983-2009) forcing the dynamical core with prescribed surface temperature, surface humidity and cumulus cloud fraction. We test the model's performance in reproducing the seasonal cycle and the influence of the El Niño-Southern Oscillation (ENSO). We use a simulated annealing optimization algorithm, which approximates the global minimum of a high-dimensional function.With non-tuned parameter values, the model performs reasonably in terms of its representation of zonal-mean circulation, planetary waves and storm tracks. The simulated annealing optimization improves in particular the model's representation of the Northern Hemisphere jet stream and storm tracks as well as the Hadley circulation.The regions of high azonal wind velocities (planetary waves) are accurately captured for all validation experiments. The zonal-mean zonal wind and the integrated lower troposphere mass flux show good results in particular in the Northern Hemisphere. In the Southern Hemisphere, the model tends to produce too-weak zonal-mean zonal winds and a too-narrow Hadley circulation. We discuss possible reasons for these model biases as well as planned future model improvements and applications.

Abstractive dissociation of oxygen over Al(111): a nonadiabatic quantum model.

PubMed

Katz, Gil; Kosloff, Ronnie; Zeiri, Yehuda

2004-02-22

The dissociation of oxygen on a clean aluminum surface is studied theoretically. A nonadiabatic quantum dynamical model is used, based on four electronically distinct potential energy surfaces characterized by the extent of charge transfer from the metal to the adsorbate. A flat surface approximation is used to reduce the computation complexity. The conservation of the helicopter angular momentum allows Boltzmann averaging of the outcome of the propagation of a three degrees of freedom wave function. The dissociation event is simulated by solving the time-dependent Schrödinger equation for a period of 30 femtoseconds. As a function of incident kinetic energy, the dissociation yield follows the experimental trend. An attempt at simulation employing only the lowest adiabatic surface failed, qualitatively disagreeing with both experiment and nonadiabatic calculations. The final products, adsorptive dissociation and abstractive dissociation, are obtained by carrying out a semiclassical molecular dynamics simulation with surface hopping which describes the back charge transfer from an oxygen atom negative ion to the surface. The final adsorbed oxygen pair distribution compares well with experiment. By running the dynamical events backward in time, a correlation is established between the products and the initial conditions which lead to their production. Qualitative agreement is thus obtained with recent experiments that show suppression of abstraction by rotational excitation. (c) 2004 American Institute of Physics.

Topographies and dynamics on multidimensional potential energy surfaces

NASA Astrophysics Data System (ADS)

Ball, Keith Douglas

The stochastic master equation is a valuable tool for elucidating potential energy surface (PES) details that govern structural relaxation in clusters, bulk systems, and protein folding. This work develops a comprehensive framework for studying non-equilibrium relaxation dynamics using the master equation. Since our master equations depend upon accurate partition function models for use in Rice-Ramsperger-Kassel-Marcus (RRK(M) transition state theory, this work introduces several such models employing various harmonic and anharmonic approximations and compares their predicted equilibrium population distributions with those determined from molecular dynamics. This comparison is performed for the fully-delineated surfaces (KCl)5 and Ar9 to evaluate model performance for potential surfaces with long- and short-range interactions, respectively. For each system, several models perform better than a simple harmonic approximation. While no model gives acceptable results for all minima, and optimal modeling strategies differ for (KCl)5 and Ar9, a particular one-parameter model gives the best agreement with simulation for both systems. We then construct master equations from these models and compare their isothermal relaxation predictions for (KCl)5 and Ar9 with molecular dynamics simulations. This is the first comprehensive test of the kinetic performance of partition function models of its kind. Our results show that accurate modeling of transition-state partition functions is more important for (KCl)5 than for Ar9 in reproducing simulation results, due to a marked stiffening anharmonicity in the transition-state normal modes of (KCl)5. For both systems, several models yield qualitative agreement with simulation over a large temperature range. To examine the robustness of the master equation when applied to larger systems, for which full topographical descriptions would be either impossible or infeasible, we compute relaxation predictions for Ar11 using a master equation constructed from data representing the full PES, and compare these predictions to those of reduced master equations based on statistical samples of the full PES. We introduce a sampling method which generates random, Boltzmann-weighted, energetically 'downhill' sequences. The study reveals that, at moderate temperatures, the slowest relaxation timescale converges as the number of sequences in a sample grows to ~1000. Furthermore, the asymptotic timescale is comparable to the full-PES value.

Modeling Wind Wave Evolution from Deep to Shallow Water

DTIC Science & Technology

2014-09-30

results are very promising (see Figure 2). However, for the sake of efficiency, non-hydrostatic models assume a single-valued free surface in the...1996) are ongoing. Figure 3 Smoothed-Particle Hydrodynamics ( SPH ) simulations of waves breaking over an artificial reef in the laboratory (see... surface as predicted by the SPH model (see Dalrymple & Rogers, 2006). The agreement in the breaker dynamics predicted by the model and seen in the

Surface dynamics of micellar diblock copolymer films

NASA Astrophysics Data System (ADS)

Song, Sanghoon; Cha, Wonsuk; Kim, Hyunjung; Jiang, Zhang; Narayanan, Suresh

2011-03-01

We studied the structure and surface dynamics of poly(styrene)-b-poly(dimethylsiloxane) (PS-b-PDMS) diblock copolymer films with micellar PDMS surrounded by PS shells. By `in-situ' high resolution synchrotron x-ray reflectivity and diffuse scattering, we obtained exact thickness, electron density and surface tension. A segregation layer near the top surface was appeared with increasing temperature Surface dynamics were measured as a function of film thickness and temperature by x-ray photon correlation spectroscopy. The best fit to relaxation time constants as a function of in-plane wavevectors were analyzed with a theory based on capillary waves with hydrodynamics with bilayer model Finally the viscosities for the top segregated layer as well as for the bottom layer are obtained at given temperatures This work was supported by National Research Foundation of Korea (R15-2008-006-01001-0), Seoul Research and Business Development Program (10816), and Sogang University Research Grant (2010).

Structure and Dynamics of Solvated Polymers near a Silica Surface: On the Different Roles Played by Solvent.

PubMed

Perrin, Elsa; Schoen, Martin; Coudert, François-Xavier; Boutin, Anne

2018-04-26

Whereas it is experimentally known that the inclusion of nanoparticles in hydrogels can lead to a mechanical reinforcement, a detailed molecular understanding of the adhesion mechanism is still lacking. Here we use coarse-grained molecular dynamics simulations to investigate the nature of the interface between silica surfaces and solvated polymers. We show how differences in the nature of the polymer and the polymer-solvent interactions can lead to drastically different behavior of the polymer-surface adhesion. Comparing explicit and implicit solvent models, we conclude that this effect cannot be fully described in an implicit solvent. We highlight the crucial role of polymer solvation for the adsorption of the polymer chain on the silica surface, the significant dynamics of polymer chains on the surface, and details of the modifications in the structure solvated polymer close to the interface.

Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure

NASA Astrophysics Data System (ADS)

Joubert-Doriol, Loïc; Izmaylov, Artur F.

2018-03-01

A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new approach is the elimination of any global or local model representation of electronic potential energy surfaces; instead, the electron-nuclear interaction is treated explicitly using the Gaussian integration. As a result, the new scheme does not introduce any uncontrolled approximations. The employed variational principle ensures the energy conservation and leaves the number of electronic and nuclear basis functions as the only parameter determining the accuracy. To assess performance of the approach, a model with two electronic and two nuclear spacial degrees of freedom containing conical intersections between potential energy surfaces has been considered. Dynamical features associated with nonadiabatic transitions and nontrivial geometric (or Berry) phases were successfully reproduced within a limited basis expansion.

Adaptive dynamic surface control of flexible-joint robots using self-recurrent wavelet neural networks.

PubMed

Yoo, Sung Jin; Park, Jin Bae; Choi, Yoon Ho

2006-12-01

A new method for the robust control of flexible-joint (FJ) robots with model uncertainties in both robot dynamics and actuator dynamics is proposed. The proposed control system is a combination of the adaptive dynamic surface control (DSC) technique and the self-recurrent wavelet neural network (SRWNN). The adaptive DSC technique provides the ability to overcome the "explosion of complexity" problem in backstepping controllers. The SRWNNs are used to observe the arbitrary model uncertainties of FJ robots, and all their weights are trained online. From the Lyapunov stability analysis, their adaptation laws are induced, and the uniformly ultimately boundedness of all signals in a closed-loop adaptive system is proved. Finally, simulation results for a three-link FJ robot are utilized to validate the good position tracking performance and robustness against payload uncertainties and external disturbances of the proposed control system.

Rapid modification of urban land surface temperature during rainfall

NASA Astrophysics Data System (ADS)

Omidvar, H.; Bou-Zeid, E.; Song, J.; Yang, J.; Arwatz, G.; Wang, Z.; Hultmark, M.; Kaloush, K.

2017-12-01

We study the runoff dynamics and heat transfer over urban pavements during rainfall. A kinematic wave approach is combined with heat storage and transfer schemes to develop a model for impervious (with runoff) and pervious (without runoff) pavements. The resulting framework is a numerical prognostic model that can simulate the temperature fields in the subsurface and runoff layers to capture the rapid cooling of the surface, as well as the thermal pollution advected in the runoff. Extensive field measurements were then conducted over experimental pavements in Arizona to probe the physics and better represent the relevant processes in the model, and then to validate the model. The experimental data and the model results were in very good agreements, and their joint analysis elucidated the physics of the rapid heat transfer from the subsurface to the runoff layer. Finally, we apply the developed model to investigate how the various hydrological and thermal properties of the pavements, as well as ambient environmental conditions, modulate the surface and runoff thermal dynamics, what is the relative importance of each of them, and how we can apply the model mitigate the adverse impacts of urbanization.

Fast Response of the Tropics to an Abrupt Loss of Arctic Sea Ice via Ocean Dynamics

NASA Astrophysics Data System (ADS)

Wang, Kun; Deser, Clara; Sun, Lantao; Tomas, Robert A.

2018-05-01

The role of ocean dynamics in the transient adjustment of the coupled climate system to an abrupt loss of Arctic sea ice is investigated using experiments with Community Climate System Model version 4 in two configurations: a thermodynamic slab mixed layer ocean and a full-depth ocean that includes both dynamics and thermodynamics. Ocean dynamics produce a distinct sea surface temperature warming maximum in the eastern equatorial Pacific, accompanied by an equatorward intensification of the Intertropical Convergence Zone and Hadley Circulation. These tropical responses are established within 25 years of ice loss and contrast markedly with the quasi-steady antisymmetric coupled response in the slab-ocean configuration. A heat budget analysis reveals the importance of anomalous vertical advection tied to a monotonic temperature increase below 200 m for the equatorial sea surface temperature warming maximum in the fully coupled model. Ocean dynamics also rapidly modify the midlatitude atmospheric response to sea ice loss.

Simulations of molecular self-assembled monolayers on surfaces: packing structures, formation processes and functions tuned by intermolecular and interfacial interactions.

PubMed

Wen, Jin; Li, Wei; Chen, Shuang; Ma, Jing

2016-08-17

Surfaces modified with a functional molecular monolayer are essential for the fabrication of nano-scale electronics or machines with novel physical, chemical, and/or biological properties. Theoretical simulation based on advanced quantum chemical and classical models is at present a necessary tool in the development, design, and understanding of the interfacial nanostructure. The nanoscale surface morphology, growth processes, and functions are controlled by not only the electronic structures (molecular energy levels, dipole moments, polarizabilities, and optical properties) of building units but also the subtle balance between intermolecular and interfacial interactions. The switchable surfaces are also constructed by introducing stimuli-responsive units like azobenzene derivatives. To bridge the gap between experiments and theoretical models, opportunities and challenges for future development of modelling of ferroelectricity, entropy, and chemical reactions of surface-supported monolayers are also addressed. Theoretical simulations will allow us to obtain important and detailed information about the structure and dynamics of monolayer modified interfaces, which will guide the rational design and optimization of dynamic interfaces to meet challenges of controlling optical, electrical, and biological functions.

Analysis and design of a capsule landing system and surface vehicle control system for Mars exploration

NASA Technical Reports Server (NTRS)

Frederick, D. K.; Lashmet, P. K.; Moyer, W. R.; Sandor, G. N.; Shen, C. N.; Smith, E. J.; Yerazunis, S. W.

1973-01-01

The following tasks related to the design, construction, and evaluation of a mobile planetary vehicle for unmanned exploration of Mars are discussed: (1) design and construction of a 0.5 scale dynamic vehicle; (2) mathematical modeling of vehicle dynamics; (3) experimental 0.4 scale vehicle dynamics measurements and interpretation; (4) vehicle electro-mechanical control systems; (5) remote control systems; (6) collapsibility and deployment concepts and hardware; (7) design, construction and evaluation of a wheel with increased lateral stiffness, (8) system design optimization; (9) design of an on-board computer; (10) design and construction of a laser range finder; (11) measurement of reflectivity of terrain surfaces; (12) obstacle perception by edge detection; (13) terrain modeling based on gradients; (14) laser scan systems; (15) path selection system simulation and evaluation; (16) gas chromatograph system concepts; (17) experimental chromatograph separation measurements and chromatograph model improvement and evaluation.

Geometric modeling of subcellular structures, organelles, and multiprotein complexes

PubMed Central

Feng, Xin; Xia, Kelin; Tong, Yiying; Wei, Guo-Wei

2013-01-01

SUMMARY Recently, the structure, function, stability, and dynamics of subcellular structures, organelles, and multi-protein complexes have emerged as a leading interest in structural biology. Geometric modeling not only provides visualizations of shapes for large biomolecular complexes but also fills the gap between structural information and theoretical modeling, and enables the understanding of function, stability, and dynamics. This paper introduces a suite of computational tools for volumetric data processing, information extraction, surface mesh rendering, geometric measurement, and curvature estimation of biomolecular complexes. Particular emphasis is given to the modeling of cryo-electron microscopy data. Lagrangian-triangle meshes are employed for the surface presentation. On the basis of this representation, algorithms are developed for surface area and surface-enclosed volume calculation, and curvature estimation. Methods for volumetric meshing have also been presented. Because the technological development in computer science and mathematics has led to multiple choices at each stage of the geometric modeling, we discuss the rationales in the design and selection of various algorithms. Analytical models are designed to test the computational accuracy and convergence of proposed algorithms. Finally, we select a set of six cryo-electron microscopy data representing typical subcellular complexes to demonstrate the efficacy of the proposed algorithms in handling biomolecular surfaces and explore their capability of geometric characterization of binding targets. This paper offers a comprehensive protocol for the geometric modeling of subcellular structures, organelles, and multiprotein complexes. PMID:23212797

Assimilation of Altimeter Data into a Quasigeostrophic Model of the Gulf Stream System. Part 1; Dynamical Considerations

NASA Technical Reports Server (NTRS)

Capotondi, Antonietta; Malanotte-Rizzoli, Paola; Holland, William R.

1995-01-01

The dynamical consequences of constraining a numerical model with sea surface height data have been investigated. The model used for this study is a quasigeostrophic model of the Gulf Stream region. The data that have been assimilated are maps of sea surface height obtained as the superposition of sea surface height variability deduced from the Geosat altimeter measurements and a mean field constructed from historical hydrographic data. The method used for assimilating the data is the nudging technique. Nudging has been implemented in such a way as to achieve a high degree of convergence of the surface model fields toward the observations. The assimilation of the surface data is thus equivalent to the prescription of a surface pressure boundary condition. The authors analyzed the mechanisms of the model adjustment and the characteristics of the resultant equilibrium state when the surface data are assimilated. Since the surface data are the superposition of a mean component and an eddy component, in order to understand the relative role of these two components in determining the characteristics of the final equilibrium state, two different experiments have been considered: in the first experiment only the climatological mean field is assimilated, while in the second experiment the total surface streamfunction field (mean plus eddies) has been used. It is shown that the model behavior in the presence of the surface data constraint can be conveniently described in terms of baroclinic Fofonoff modes. The prescribed mean component of the surface data acts as a 'surface topography' in this problem. Its presence determines a distortion of the geostrophic contours in the subsurface layers, thus constraining the mean circulation in those layers. The intensity of the mean flow is determined by the inflow/outflow conditions at the open boundaries, as well as by eddy forcing and dissipation.

Modeling of Firn Compaction for Estimating Ice-Sheet Mass Change from Observed Ice-Sheet Elevation Change

NASA Technical Reports Server (NTRS)

Li, Jun; Zwally, H. Jay

2011-01-01

Changes in ice-sheet surface elevation are caused by a combination of ice-dynamic imbalance, ablation, temporal variations in accumulation rate, firn compaction and underlying bedrock motion. Thus, deriving the rate of ice-sheet mass change from measured surface elevation change requires information on the rate of firn compaction and bedrock motion, which do not involve changes in mass, and requires an appropriate firn density to associate with elevation changes induced by recent accumulation rate variability. We use a 25 year record of surface temperature and a parameterization for accumulation change as a function of temperature to drive a firn compaction model. We apply this formulation to ICESat measurements of surface elevation change at three locations on the Greenland ice sheet in order to separate the accumulation-driven changes from the ice-dynamic/ablation-driven changes, and thus to derive the corresponding mass change. Our calculated densities for the accumulation-driven changes range from 410 to 610 kg/cu m, which along with 900 kg/cu m for the dynamic/ablation-driven changes gives average densities ranging from 680 to 790 kg/cu m. We show that using an average (or "effective") density to convert elevation change to mass change is not valid where the accumulation and the dynamic elevation changes are of opposite sign.

Dynamics of confined reactive water in smectite clay-zeolite composites.

PubMed

Pitman, Michael C; van Duin, Adri C T

2012-02-15

The dynamics of water confined to mesoporous regions in minerals such as swelling clays and zeolites is fundamental to a wide range of resource management issues impacting many processes on a global scale, including radioactive waste containment, desalination, and enhanced oil recovery. Large-scale atomic models of freely diffusing multilayer smectite particles at low hydration confined in a silicalite cage are used to investigate water dynamics in the composite environment with the ReaxFF reactive force field over a temperature range of 300-647 K. The reactive capability of the force field enabled a range of relevant surface chemistry to emerge, including acid/base equilibria in the interlayer calcium hydrates and silanol formation on the edges of the clay and inner surface of the zeolite housing. After annealing, the resulting clay models exhibit both mono- and bilayer hydration structures. Clay surface hydration redistributed markedly and yielded to silicalite water loading. We find that the absolute rates and temperature dependence of water dynamics compare well to neutron scattering data and pulse field gradient measures from relevant samples of Ca-montmorillonite and silicalite, respectively. Within an atomistic, reactive context, our results distinguish water dynamics in the interlayer Ca(OH)(2)·nH(2)O environment from water flowing over the clay surface, and from water diffusing within silicalite. We find that the diffusion of water when complexed to Ca hydrates is considerably slower than freely diffusing water over the clay surface, and the reduced mobility is well described by a difference in the Arrhenius pre-exponential factor rather than a change in activation energy.

Acoustic surface perception from naturally occurring step sounds of a dexterous hexapod robot

NASA Astrophysics Data System (ADS)

Cuneyitoglu Ozkul, Mine; Saranli, Afsar; Yazicioglu, Yigit

2013-10-01

Legged robots that exhibit dynamic dexterity naturally interact with the surface to generate complex acoustic signals carrying rich information on the surface as well as the robot platform itself. However, the nature of a legged robot, which is a complex, hybrid dynamic system, renders the more common approach of model-based system identification impractical. The present paper focuses on acoustic surface identification and proposes a non-model-based analysis and classification approach adopted from the speech processing literature. A novel feature set composed of spectral band energies augmented by their vector time derivatives and time-domain averaged zero crossing rate is proposed. Using a multi-dimensional vector classifier, these features carry enough information to accurately classify a range of commonly occurring indoor and outdoor surfaces without using of any mechanical system model. A comparative experimental study is carried out and classification performance and computational complexity are characterized. Different feature combinations, classifiers and changes in critical design parameters are investigated. A realistic and representative acoustic data set is collected with the robot moving at different speeds on a number of surfaces. The study demonstrates promising performance of this non-model-based approach, even in an acoustically uncontrolled environment. The approach also has good chance of performing in real-time.

Influence of crop type specification and spatial resolution on empirical modeling of field-scale Maize and Soybean carbon fluxes in the US Great Plains

NASA Astrophysics Data System (ADS)

McCombs, A. G.; Hiscox, A.; Wang, C.; Desai, A. R.

2016-12-01

A challenge in satellite land surface remote-sensing models of ecosystem carbon dynamics in agricultural systems is the lack of differentiation by crop type and management. This generalization can lead to large discrepancies between model predictions and eddy covariance flux tower observations of net ecosystem exchange of CO2 (NEE). Literature confirms that NEE varies remarkably among different crop types making the generalization of agriculture in remote sensing based models inaccurate. Here, we address this inaccuracy by identifying and mapping net ecosystem exchange (NEE) in agricultural fields by comparing bulk modeling and modeling by crop type, and using this information to develop empirical models for future use. We focus on mapping NEE in maize and soybean fields in the US Great Plains at higher spatial resolution using the fusion of MODIS and LandSAT surface reflectance. MODIS observed reflectance was downscaled using the ESTARFM downscaling methodology to match spatial scales to those found in LandSAT and that are more appropriate for carbon dynamics in agriculture fields. A multiple regression model was developed from surface reflectance of the downscaled MODIS and LandSAT remote sensing values calibrated against five FLUXNET/AMERIFLUX flux towers located on soybean and/or maize agricultural fields in the US Great Plains with multi-year NEE observations. Our new methodology improves upon bulk approximates to map and model carbon dynamics in maize and soybean fields, which have significantly different photosynthetic capacities.

Comparison of Response Surface and Kriging Models in the Multidisciplinary Design of an Aerospike Nozzle

NASA Technical Reports Server (NTRS)

Simpson, Timothy W.

1998-01-01

The use of response surface models and kriging models are compared for approximating non-random, deterministic computer analyses. After discussing the traditional response surface approach for constructing polynomial models for approximation, kriging is presented as an alternative statistical-based approximation method for the design and analysis of computer experiments. Both approximation methods are applied to the multidisciplinary design and analysis of an aerospike nozzle which consists of a computational fluid dynamics model and a finite element analysis model. Error analysis of the response surface and kriging models is performed along with a graphical comparison of the approximations. Four optimization problems are formulated and solved using both approximation models. While neither approximation technique consistently outperforms the other in this example, the kriging models using only a constant for the underlying global model and a Gaussian correlation function perform as well as the second order polynomial response surface models.

Towards DMD-Based Estimation and Control of Flow Separation using an Array of Surface Pressure Sensors

NASA Astrophysics Data System (ADS)

Deem, Eric; Cattafesta, Louis; Zhang, Hao; Rowley, Clancy

2016-11-01

Closed-loop control of flow separation requires the spatio-temporal states of the flow to be fed back through the controller in real time. Previously, static and dynamic estimation methods have been employed that provide reduced-order model estimates of the POD-coefficients of the flow velocity using surface pressure measurements. However, this requires a "learning" dataset a priori. This approach is effective as long as the dynamics during control do not stray from the learning dataset. Since only a few dynamical features are required for feedback control of flow separation, many of the details provided by full-field snapshots are superfluous. This motivates a state-observation technique that extracts key dynamical features directly from surface pressure, without requiring PIV snapshots. The results of identifying DMD modes of separated flow through an array of surface pressure sensors in real-time are presented. This is accomplished by employing streaming DMD "on the fly" to surface pressure snapshots. These modal characteristics exhibit striking similarities to those extracted from PIV data and the pressure field obtained via solving Poisson's equation. Progress towards closed-loop separation control based on the dynamic modes of surface pressure will be discussed. Supported by AFOSR Grant FA9550-14-1-0289.

Multiscale geometric modeling of macromolecules II: Lagrangian representation

PubMed Central

Feng, Xin; Xia, Kelin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

2013-01-01

Geometric modeling of biomolecules plays an essential role in the conceptualization of biolmolecular structure, function, dynamics and transport. Qualitatively, geometric modeling offers a basis for molecular visualization, which is crucial for the understanding of molecular structure and interactions. Quantitatively, geometric modeling bridges the gap between molecular information, such as that from X-ray, NMR and cryo-EM, and theoretical/mathematical models, such as molecular dynamics, the Poisson-Boltzmann equation and the Nernst-Planck equation. In this work, we present a family of variational multiscale geometric models for macromolecular systems. Our models are able to combine multiresolution geometric modeling with multiscale electrostatic modeling in a unified variational framework. We discuss a suite of techniques for molecular surface generation, molecular surface meshing, molecular volumetric meshing, and the estimation of Hadwiger’s functionals. Emphasis is given to the multiresolution representations of biomolecules and the associated multiscale electrostatic analyses as well as multiresolution curvature characterizations. The resulting fine resolution representations of a biomolecular system enable the detailed analysis of solvent-solute interaction, and ion channel dynamics, while our coarse resolution representations highlight the compatibility of protein-ligand bindings and possibility of protein-protein interactions. PMID:23813599

Physical properties of the benchmark models program supercritical wing

NASA Technical Reports Server (NTRS)

Dansberry, Bryan E.; Durham, Michael H.; Bennett, Robert M.; Turnock, David L.; Silva, Walter A.; Rivera, Jose A., Jr.

1993-01-01

The goal of the Benchmark Models Program is to provide data useful in the development and evaluation of aeroelastic computational fluid dynamics (CFD) codes. To that end, a series of three similar wing models are being flutter tested in the Langley Transonic Dynamics Tunnel. These models are designed to simultaneously acquire model response data and unsteady surface pressure data during wing flutter conditions. The supercritical wing is the second model of this series. It is a rigid semispan model with a rectangular planform and a NASA SC(2)-0414 supercritical airfoil shape. The supercritical wing model was flutter tested on a flexible mount, called the Pitch and Plunge Apparatus, that provides a well-defined, two-degree-of-freedom dynamic system. The supercritical wing model and associated flutter test apparatus is described and experimentally determined wind-off structural dynamic characteristics of the combined rigid model and flexible mount system are included.

Estimating the Ocean Flow Field from Combined Sea Surface Temperature and Sea Surface Height Data

NASA Technical Reports Server (NTRS)

Stammer, Detlef; Lindstrom, Eric (Technical Monitor)

2002-01-01

This project was part of a previous grant at MIT that was moved over to the Scripps Institution of Oceanography (SIO) together with the principal investigator. The final report provided here is concerned only with the work performed at SIO since January 2000. The primary focus of this project was the study of the three-dimensional, absolute and time-evolving general circulation of the global ocean from a combined analysis of remotely sensed fields of sea surface temperature (SST) and sea surface height (SSH). The synthesis of those two fields was performed with other relevant physical data, and appropriate dynamical ocean models with emphasis on constraining ocean general circulation models by a combination of both SST and SSH data. The central goal of the project was to improve our understanding and modeling of the relationship between the SST and its variability to internal ocean dynamics, and the overlying atmosphere, and to explore the relative roles of air-sea fluxes and internal ocean dynamics in establishing anomalies in SST on annual and longer time scales. An understanding of those problems will feed into the general discussion on how SST anomalies vary with time and the extend to which they interact with the atmosphere.

Multiscale Multiphysics and Multidomain Models I: Basic Theory

PubMed Central

Wei, Guo-Wei

2013-01-01

This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long-range Coulombic interactions, various non-electrostatic solvent-solute interactions are considered in the present modeling. We demonstrate the consistency between the non-equilibrium charge transport model and the equilibrium solvation model by showing the systematical reduction of the former to the latter at equilibrium. This paper also offers a brief review of the field. PMID:25382892

Multiscale Multiphysics and Multidomain Models I: Basic Theory.

PubMed

Wei, Guo-Wei

2013-12-01

This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long-range Coulombic interactions, various non-electrostatic solvent-solute interactions are considered in the present modeling. We demonstrate the consistency between the non-equilibrium charge transport model and the equilibrium solvation model by showing the systematical reduction of the former to the latter at equilibrium. This paper also offers a brief review of the field.

Validation of the Regional Climate Model ALARO with different dynamical downscaling approaches and different horizontal resolutions

NASA Astrophysics Data System (ADS)

Berckmans, Julie; Hamdi, Rafiq; De Troch, Rozemien; Giot, Olivier

2015-04-01

At the Royal Meteorological Institute of Belgium (RMI), climate simulations are performed with the regional climate model (RCM) ALARO, a version of the ALADIN model with improved physical parameterizations. In order to obtain high-resolution information of the regional climate, lateral bounary conditions (LBC) are prescribed from the global climate model (GCM) ARPEGE. Dynamical downscaling is commonly done in a continuous long-term simulation, with the initialisation of the model at the start and driven by the regularly updated LBCs of the GCM. Recently, more interest exists in the dynamical downscaling approach of frequent reinitializations of the climate simulations. For these experiments, the model is initialised daily and driven for 24 hours by the GCM. However, the surface is either initialised daily together with the atmosphere or free to evolve continuously. The surface scheme implemented in ALARO is SURFEX, which can be either run in coupled mode or in stand-alone mode. The regional climate is simulated on different domains, on a 20km horizontal resolution over Western-Europe and a 4km horizontal resolution over Belgium. Besides, SURFEX allows to perform a stand-alone or offline simulation on 1km horizontal resolution over Belgium. This research is in the framework of the project MASC: "Modelling and Assessing Surface Change Impacts on Belgian and Western European Climate", a 4-year project funded by the Belgian Federal Government. The overall aim of the project is to study the feedbacks between climate changes and land surface changes in order to improve regional climate model projections at the decennial scale over Belgium and Western Europe and thus to provide better climate projections and climate change evaluation tools to policy makers, stakeholders and the scientific community.

Modelling seasonal meltwater forcing of the velocity of land-terminating margins of the Greenland Ice Sheet

NASA Astrophysics Data System (ADS)

Koziol, Conrad P.; Arnold, Neil

2018-03-01

Surface runoff at the margin of the Greenland Ice Sheet (GrIS) drains to the ice-sheet bed, leading to enhanced summer ice flow. Ice velocities show a pattern of early summer acceleration followed by mid-summer deceleration due to evolution of the subglacial hydrology system in response to meltwater forcing. Modelling the integrated hydrological-ice dynamics system to reproduce measured velocities at the ice margin remains a key challenge for validating the present understanding of the system and constraining the impact of increasing surface runoff rates on dynamic ice mass loss from the GrIS. Here we show that a multi-component model incorporating supraglacial, subglacial, and ice dynamic components applied to a land-terminating catchment in western Greenland produces modelled velocities which are in reasonable agreement with those observed in GPS records for three melt seasons of varying melt intensities. This provides numerical support for the hypothesis that the subglacial system develops analogously to alpine glaciers and supports recent model formulations capturing the transition between distributed and channelized states. The model shows the growth of efficient conduit-based drainage up-glacier from the ice sheet margin, which develops more extensively, and further inland, as melt intensity increases. This suggests current trends of decadal-timescale slowdown of ice velocities in the ablation zone may continue in the near future. The model results also show a strong scaling between average summer velocities and melt season intensity, particularly in the upper ablation area. Assuming winter velocities are not impacted by channelization, our model suggests an upper bound of a 25 % increase in annual surface velocities as surface melt increases to 4 × present levels.

Geodynamics Branch research report, 1982

NASA Technical Reports Server (NTRS)

Kahn, W. D. (Editor); Cohen, S. C. (Editor)

1983-01-01

The research program of the Geodynamics Branch is summarized. The research activities cover a broad spectrum of geoscience disciplines including space geodesy, geopotential field modeling, tectonophysics, and dynamic oceanography. The NASA programs which are supported by the work described include the Geodynamics and Ocean Programs, the Crustal Dynamics Project, the proposed Ocean Topography Experiment (TOPEX) and Geopotential Research Mission. The individual papers are grouped into chapters on Crustal Movements, Global Earth Dynamics, Gravity Field Model Development, Sea Surface Topography, and Advanced Studies.

Molecular dynamics simulation studies of the structural response of an isolated Aβ1-42 monomer localized in the vicinity of the hydrophilic TiO 2 surface.

PubMed

Jose, Jaya C; Sengupta, Neelanjana

2013-06-01

We have probed the effect of a model hydrophilic surface, rutile TiO(2), on the full-length amyloid beta (Aβ(1-42)) monomer using molecular dynamics simulations. The rutile surface brings about sharp changes in the peptide's intrinsic behavior in a distance-dependent manner. The intrinsic collapse of the peptide is disrupted, while the β-sheet propensity is sharply enhanced with increased proximity to the surface. The results may have implications for Aβ self-assembly and fibrillogenesis on hydrophilic surfaces and should be taken into consideration in the design of novel nanomaterials for perturbing amyloidogenic behavior.

An ice sheet model validation framework for the Greenland ice sheet.

PubMed

Price, Stephen F; Hoffman, Matthew J; Bonin, Jennifer A; Howat, Ian M; Neumann, Thomas; Saba, Jack; Tezaur, Irina; Guerber, Jeffrey; Chambers, Don P; Evans, Katherine J; Kennedy, Joseph H; Lenaerts, Jan; Lipscomb, William H; Perego, Mauro; Salinger, Andrew G; Tuminaro, Raymond S; van den Broeke, Michiel R; Nowicki, Sophie M J

2017-01-01

We propose a new ice sheet model validation framework - the Cryospheric Model Comparison Tool (CmCt) - that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013 using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quantitative metrics for use in evaluating the different model simulations against the observations. We find that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin- and whole-ice-sheet scale metrics, we find that simulations using both idealized conceptual models and dynamic, numerical models provide an equally reasonable representation of the ice sheet surface (mean elevation differences of <1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CmCt, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate predictive skill with respect to observed dynamic changes occurring on Greenland over the past few decades. An extensible design will allow for continued use of the CmCt as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation.

Using Flux Site Observations to Calibrate Root System Architecture Stencils for Water Uptake of Plant Functional Types in Land Surface Models.

NASA Astrophysics Data System (ADS)

Bouda, M.

2017-12-01

Root system architecture (RSA) can significantly affect plant access to water, total transpiration, as well as its partitioning by soil depth, with implications for surface heat, water, and carbon budgets. Despite recent advances in land surface model (LSM) descriptions of plant hydraulics, RSA has not been included because of its three-dimensional complexity, which makes RSA modelling generally too computationally costly. This work builds upon the recently introduced "RSA stencil," a process-based 1D layered model that captures the dynamic shifts in water potential gradients of 3D RSA in response to heterogeneous soil moisture profiles. In validations using root systems calibrated to the rooting profiles of four plant functional types (PFT) of the Community Land Model, the RSA stencil predicts plant water potentials within 2% of the outputs of full 3D models, despite its trivial computational cost. In transient simulations, the RSA stencil yields improved predictions of water uptake and soil moisture profiles compared to a 1D model based on root fraction alone. Here I show how the RSA stencil can be calibrated to time-series observations of soil moisture and transpiration to yield a water uptake PFT definition for use in terrestrial models. This model-data integration exercise aims to improve LSM predictions of soil moisture dynamics and, under water-limiting conditions, surface fluxes. These improvements can be expected to significantly impact predictions of downstream variables, including surface fluxes, climate-vegetation feedbacks and soil nutrient cycling.

Rolling Maneuver Load Alleviation using active controls

NASA Technical Reports Server (NTRS)

Woods-Vedeler, Jessica A.; Pototzky, Anthony S.

1992-01-01

Rolling Maneuver Load Alleviation (RMLA) has been demonstrated on the Active Flexible Wing (AFW) wind tunnel model in the NASA Langley Transonic Dynamics Tunnel. The design objective was to develop a systematic approach for developing active control laws to alleviate wing incremental loads during roll maneuvers. Using linear load models for the AFW wind-tunnel model which were based on experimental measurements, two RMLA control laws were developed based on a single-degree-of-freedom roll model. The RMLA control laws utilized actuation of outboard control surface pairs to counteract incremental loads generated during rolling maneuvers and actuation of the trailing edge inboard control surface pairs to maintain roll performance. To evaluate the RMLA control laws, roll maneuvers were performed in the wind tunnel at dynamic pressures of 150, 200, and 250 psf and Mach numbers of 0.33, .38 and .44, respectively. Loads obtained during these maneuvers were compared to baseline maneuver loads. For both RMLA controllers, the incremental torsion moments were reduced by up to 60 percent at all dynamic pressures and performance times. Results for bending moment load reductions during roll maneuvers varied. In addition, in a multiple function test, RMLA and flutter suppression system control laws were operated simultaneously during roll maneuvers at dynamic pressures 11 percent above the open-loop flutter dynamic pressure.

Lubricant dynamics under sliding condition in disk drives

NASA Astrophysics Data System (ADS)

Wu, Lin

2006-07-01

In this paper, we develop a two-dimensional flow model for the lubricant flow dynamics under a sliding head in disk drives. Our two-dimensional model includes important physics such as viscous force, external air shearing stress, air bearing pressure, centrifugal force, disjoining pressure, and surface tension. Our analysis shows that the lubricant flow dynamics under the sliding condition is a fully two-dimensional phenomenon and the circumferential lubricant flow is strongly coupled to the radial flow. It is necessary to have a two-dimensional flow model that couples the circumferential and radial flows together and includes all important physics to achieve realistic predictions. Our results show that the external air shearing stress has a dominant effect on the lubricant flow dynamics. Both velocity slippage at wall and Poiseuille flow effects have to be considered in the evaluation of the air shearing stress under the head. The nonuniform air bearing pressure has a non-negligible effect on the lubricant film dynamics mostly through the Poiseuille flow effect on the air shearing stress but not from its direct pushing or sucking effect on the lubricant surface. Prediction of the formation of lubricant depletion tracks under a sliding head using the two-dimensional model agrees reasonably well with the existing experimental measurements.

Structural dynamics of surfaces by ultrafast electron crystallography: experimental and multiple scattering theory.

PubMed

Schäfer, Sascha; Liang, Wenxi; Zewail, Ahmed H

2011-12-07

Recent studies in ultrafast electron crystallography (UEC) using a reflection diffraction geometry have enabled the investigation of a wide range of phenomena on the femtosecond and picosecond time scales. In all these studies, the analysis of the diffraction patterns and their temporal change after excitation was performed within the kinematical scattering theory. In this contribution, we address the question, to what extent dynamical scattering effects have to be included in order to obtain quantitative information about structural dynamics. We discuss different scattering regimes and provide diffraction maps that describe all essential features of scatterings and observables. The effects are quantified by dynamical scattering simulations and examined by direct comparison to the results of ultrafast electron diffraction experiments on an in situ prepared Ni(100) surface, for which structural dynamics can be well described by a two-temperature model. We also report calculations for graphite surfaces. The theoretical framework provided here allows for further UEC studies of surfaces especially at larger penetration depths and for those of heavy-atom materials. © 2011 American Institute of Physics

Sub-Scale Analysis of New Large Aircraft Pool Fire-Suppression

DTIC Science & Technology

2016-01-01

discrete ordinates radiation and single step Khan and Greeves soot model provided radiation and soot interaction. Agent spray dynamics were...Notable differences observed showed a modeled increase in the mockup surface heat-up rate as well as a modeled decreased rate of soot production...488 K SUPPRESSION STARTED  Large deviation between sensors due to sensor alignment challenges and asymmetric fuel surface ignition  Unremarkable

Predicted effect of dynamic load on pitting fatigue life for low-contact-ratio spur gears

NASA Technical Reports Server (NTRS)

Lewicki, David G.

1986-01-01

How dynamic load affects the surface pitting fatigue life of external spur gears was predicted by using the NASA computer program TELSGE. Parametric studies were performed over a range of various gear parameters modeling low-contact-ratio involute spur gears. In general, gear life predictions based on dynamic loads differed significantly from those based on static loads, with the predictions being strongly influenced by the maximum dynamic load during contact. Gear mesh operating speed strongly affected predicted dynamic load and life. Meshes operating at a resonant speed or one-half the resonant speed had significantly shorter lives. Dynamic life factors for gear surface pitting fatigue were developed on the basis of the parametric studies. In general, meshes with higher contact ratios had higher dynamic life factors than meshes with lower contact ratios. A design chart was developed for hand calculations of dynamic life factors.

Theoretical Studies of the Structure and the Dynamics on Clean and Chemisorbed Metal Surfaces

NASA Astrophysics Data System (ADS)

Yang, Liqiu

Molecular dynamics (MD) and lattice dynamics (LD) techniques are employed to investigate several phenomena related to the structure and vibrations at metal surfaces. The MD simulations are performed with the many-body interaction potentials obtained using the Embedded-Atom Method (EAM). As specific examples, we present the results for Ag(100) at 300 K and Cu(100) at 150 K, 300 K, and 600 K. The calculated frequencies and polarizations of all surface modes and resonances at the high-symmetry points in the two-dimensional Brillouin zone are in good agreement with available data, as well as, existing lattice dynamics results with force constants obtained from first-principles calculations. Our calculated surface relaxation is also in reasonable agreement with the data. We also test a much simpler lattice dynamics model with nearest neighbor central force interactions, and conclude that it can reproduce the main features of the phonon modes, but only when adjustable surface parameters are used. Additionally, the temperature dependent studies of the phonon line-widths and the mean-square displacement (MSD) of surface atoms are indicative of enhanced surface anharmonicity. On several chemisorbed metal surfaces, for which force constants are not available from first-principles calculations or the EAM, we perform lattice dynamics studies of phonon dispersion curves using simple force-constant models. These studies provide reliable mean-square displacement of surface atoms and can distinguish between possible reconstruction patterns, the results being insensitive to the exact values of the surface parameters. On c(2 times 2)S-Ni(100), it is found that the parallel component of the mean-square displacement for sulfur is around 50% larger than the vertical component, but for the mean-square displacement of oxygen atoms in the system c(2 times 2)O-Ni(100), the opposite is the case. As regards surface reconstruction, for both p(2 times 1)O-Ag(110) and p(2 times 1)O-Ni(110) surfaces, it is concluded that a substrate missing-row type reconstruction is induced by the adsorbates, but the local symmetry is C_{2v} with oxygen atoms at the long-bridge sites for the former and C_{s} with (110) being the only symmetry axis for the latter. In the above theoretical analysis, close contacts are made to many available experimental results such as surface phonon dispersion curves, interlayer relaxations, and Debye -Waller factors and adsorbate-substrate bond lengths.

Modeling of Focused Acoustic Field of a Concave Multi-annular Phased Array Using Spheroidal Beam Equation

NASA Astrophysics Data System (ADS)

Yu, Li-Li; Shou, Wen-De; Hui, Chun

2012-02-01

A theoretical model of focused acoustic field for a multi-annular phased array on concave spherical surface is proposed. In this model, the source boundary conditions of the spheroidal beam equation (SBE) for multi-annular phased elements are studied. Acoustic field calculated by the dynamic focusing model of SBE is compared with numerical results of the O'Neil and Khokhlov—Zabolotskaya—Kuznetsov (KZK) model, respectively. Axial dynamic focusing and the harmonic effects are presented. The results demonstrate that the dynamic focusing model of SBE is good valid for a concave multi-annular phased array with a large aperture angle in the linear or nonlinear field.

Land use, water and Mediterranean landscapes: modelling long-term dynamics of complex socio-ecological systems.

PubMed

Barton, C Michael; Ullah, Isaac I; Bergin, Sean

2010-11-28

The evolution of Mediterranean landscapes during the Holocene has been increasingly governed by the complex interactions of water and human land use. Different land-use practices change the amount of water flowing across the surface and infiltrating the soil, and change water's ability to move surface sediments. Conversely, water amplifies the impacts of human land use and extends the ecological footprint of human activities far beyond the borders of towns and fields. Advances in computational modelling offer new tools to study the complex feedbacks between land use, land cover, topography and surface water. The Mediterranean Landscape Dynamics project (MedLand) is building a modelling laboratory where experiments can be carried out on the long-term impacts of agropastoral land use, and whose results can be tested against the archaeological record. These computational experiments are providing new insights into the socio-ecological consequences of human decisions at varying temporal and spatial scales.

Cluster adsorption on amorphous and crystalline surfaces - A molecular dynamics study of model Pt on Cu and model Pd on Pt

NASA Technical Reports Server (NTRS)

Garofalini, S. H.; Halicioglu, T.; Pound, G. M.

1981-01-01

Molecular dynamics was used to study the structure, dispersion and short-time behavior of ten-atom clusters adsorbed onto amorphous and crystalline substrates, in which the cluster atoms differed from the substrate atoms. Two adatom-substrate model systems were chosen; one, in which the interaction energy between adatom pairs was greater than that between substrate pairs, and the other, in which the reverse was true. At relatively low temperature ranges, increased dispersion of cluster atoms occurred: (a) on the amorphous substrate as compared to the FCC(100) surface, (b) with increasing reduced temperature, and (c) with adatom-substrate interaction energy stronger than adatom-adatom interaction. Two-dimensional clusters (rafts) on the FCC(100) surface displayed migration of edge atoms only, indicating a mechanism for the cluster rotation and shape changes found in experimental studies.

NASA geometry data exchange specification for computational fluid dynamics (NASA IGES)

NASA Technical Reports Server (NTRS)

Blake, Matthew W.; Kerr, Patricia A.; Thorp, Scott A.; Jou, Jin J.

1994-01-01

This document specifies a subset of an existing product data exchange specification that is widely used in industry and government. The existing document is called the Initial Graphics Exchange Specification. This document, a subset of IGES, is intended for engineers analyzing product performance using tools such as computational fluid dynamics (CFD) software. This document specifies how to define mathematically and exchange the geometric model of an object. The geometry is represented utilizing nonuniform rational B-splines (NURBS) curves and surfaces. Only surface models are represented; no solid model representation is included. This specification does not include most of the other types of product information available in IGES (e.g., no material properties or surface finish properties) and does not provide all the specific file format details of IGES. The data exchange protocol specified in this document is fully conforming to the American National Standard (ANSI) IGES 5.2.

Surfaces and interfaces of glass and ceramics; Proceedings of the International Symposium on Special Topics in Ceramics, Alfred University, Alfred, N.Y., August 27-29, 1973

NASA Technical Reports Server (NTRS)

Frechette, V. D. (Editor); Lacourse, W. C.; Burdick, V. L.

1974-01-01

The characterization of surfaces and interfaces is considered along with the infrared spectra of several N-containing compounds absorbed on montmorillonites, applications of surface characterization techniques to glasses, the observation of electronic spectra in glass and ceramic surfaces, a method for determining the preferred orientation of crystallites normal to a surface, and the friction and wear behavior of glasses and ceramics. Attention is given to the wear behavior of cast surface composites, an experimental investigation of the dynamic and thermal characteristics of the ceramic stock removal process, a dynamic elastic model of ceramic stock removal, and the structure and properties of solid surfaces. Individual items are announced in this issue.

Dynamic Capacity and Surface Fatigue Life for Spur and Helical Gears

NASA Technical Reports Server (NTRS)

Coy, J. J.; Townsend, D. P.; Zaretsky, E. V.

1975-01-01

A mathematical model for surface fatigue life of gear, pinion, or entire meshing gear train is given. The theory is based on a previous statistical approach for rolling-element bearings. Equations are presented which give the dynamic capacity of the gear set. The dynamic capacity is the transmitted tangential load which gives a 90 percent probability of survival of the gear set for one million pinion revolutions. The analytical results are compared with test data for a set of AISI 9310 spur gears operating at a maximum Hertz stress of 1.71 billion N/sq m and 10,000 rpm. The theoretical life predictions are shown to be good when material constants obtained from rolling-element bearing tests were used in the gear life model.

Beach groundwater dynamics

NASA Astrophysics Data System (ADS)

Horn, Diane P.

2002-11-01

An understanding of the interaction between surface and groundwater flows in the swash zone is necessary to understand beach profile evolution. Coastal researchers have recognized the importance of beach watertable and swash interaction to accretion and erosion above the still water level (SWL), but the exact nature of the relationship between swash flows, beach watertable flow and cross-shore sediment transport is not fully understood. This paper reviews research on beach groundwater dynamics and identifies research questions which will need to be answered before swash zone sediment transport can be successfully modelled. After defining the principal terms relating to beach groundwater, the behavior, measurement and modelling of beach groundwater dynamics is described. Research questions related to the mechanisms of surface-subsurface flow interaction are reviewed, particularly infiltration, exfiltration and fluidisation. The implications of these mechanisms for sediment transport are discussed.

Model non-equilibrium molecular dynamics simulations of heat transfer from a hot gold surface to an alkylthiolate self-assembled monolayer.

PubMed

Zhang, Yue; Barnes, George L; Yan, Tianying; Hase, William L

2010-05-07

Model non-equilibrium molecular dynamics (MD) simulations are presented of heat transfer from a hot Au {111} substrate to an alkylthiolate self-assembled monolayer (H-SAM) to assist in obtaining an atomic-level understanding of experiments by Wang et al. (Z. Wang, J. A. Carter, A. Lagutchev, Y. K. Koh, N.-H. Seong, D. G. Cahill, and D. D. Dlott, Science, 2007, 317, 787). Different models are considered to determine how they affect the heat transfer dynamics. They include temperature equilibrated (TE) and temperature gradient (TG) thermostat models for the Au(s) surface, and soft and stiff S/Au(s) models for bonding of the S-atoms to the Au(s) surface. A detailed analysis of the non-equilibrium heat transfer at the heterogeneous interface is presented. There is a short time temperature gradient within the top layers of the Au(s) surface. The S-atoms heat rapidly, much faster than do the C-atoms in the alkylthiolate chains. A high thermal conductivity in the H-SAM, perpendicular to the interface, results in nearly identical temperatures for the CH(2) and CH(3) groups versus time. Thermal-induced disorder is analyzed for the Au(s) substrate, the S/Au(s) interface and the H-SAM. Before heat transfer occurs from the hot Au(s) substrate to the H-SAM, there is disorder at the S/Au(s) interface and within the alkylthiolate chains arising from heat-induced disorder near the surface of hot Au(s). The short-time rapid heating of the S-atoms enhances this disorder. The increasing disorder of H-SAM chains with time results from both disorder at the Au/S interface and heat transfer to the H-SAM chains.

A mesoscopic simulation of static and dynamic wetting using many-body dissipative particle dynamics

NASA Astrophysics Data System (ADS)

Ghorbani, Najmeh; Pishevar, Ahmadreza

2018-01-01

A many-body dissipative particle dynamics simulation is applied here to pave the way for investigating the behavior of mesoscale droplets after impact on horizontal solid substrates. First, hydrophobic and hydrophilic substrates are simulated through tuning the solid-liquid interfacial interaction parameters of an innovative conservative force model. The static contact angles are calculated on homogeneous and several patterned surfaces and compared with the predicted values by the Cassie's law in order to verify the model. The results properly evaluate the amount of increase in surface superhydrophobicity as a result of surface patterning. Then drop impact phenomenon is studied by calculating the spreading factor and dimensionless height versus dimensionless time and the comparisons made between the results and the experimental values for three different static contact angles. The results show the capability of the procedure in calculating the amount of maximum spreading factor, which is a significant concept in ink-jet printing and coating process.

Medial surface dynamics of an in vivo canine vocal fold during phonation

NASA Astrophysics Data System (ADS)

Döllinger, Michael; Berry, David A.; Berke, Gerald S.

2005-05-01

Quantitative measurement of the medial surface dynamics of the vocal folds is important for understanding how sound is generated within the larynx. Building upon previous excised hemilarynx studies, the present study extended the hemilarynx methodology to the in vivo canine larynx. Through use of an in vivo model, the medial surface dynamics of the vocal fold were examined as a function of active thyroarytenoid muscle contraction. Data were collected using high-speed digital imaging at a sampling frequency of 2000 Hz, and a spatial resolution of 1024×1024 pixels. Chest-like and fry-like vibrations were observed, but could not be distinguished based on the input stimulation current to the recurrent laryngeal nerve. The subglottal pressure did distinguish the registers, as did an estimate of the thyroarytenoid muscle activity. Upon quantification of the three-dimensional motion, the method of Empirical Eigenfunctions was used to extract the underlying modes of vibration, and to investigate mechanisms of sustained oscillation. Results were compared with previous findings from excised larynx experiments and theoretical models. .

Cyclic fatigue resistance of ProTaper Universal instruments when subjected to static and dynamic tests.

PubMed

Lopes, Hélio P; Britto, Izabelle M O; Elias, Carlos N; Machado de Oliveira, Julio C; Neves, Mônica A S; Moreira, Edson J L; Siqueira, José F

2010-09-01

This study evaluated the number of cycles to fracture of ProTaper Universal S2 instruments when subjected to static and dynamic cyclic fatigue tests. ProTaper Universal S2 instruments were used until fracture in an artificial curved canal under rotational speed of 300 rpm in either a static or a dynamic test model. Afterward, the length of the fractured segments was measured and fractured surfaces and helical shafts analyzed by scanning electron microscopy (SEM). The number of cycles to fracture was significantly increased when instruments were tested in the dynamic model (P<.001). Instrument separation occurred at the point of maximum flexure within the artificial canals, i.e., the midpoint of the curved canal segment. SEM analysis revealed that fractured surfaces exhibited characteristics of the ductile mode. Plastic deformation was not observed in the helical shaft of fractured instruments. The number of cycles to fracture ProTaper Universal S2 instruments significantly increased with the use of instruments in a dynamic cyclic fatigue test compared with a static model. These findings reinforce the need for performing continuous pecking motions during rotary instrumentation of curved root canals. Copyright (c) 2010 Mosby, Inc. All rights reserved.

Modeling the Dynamics of the Atmospheric Boundary Layer Over the Antarctic Plateau With a General Circulation Model

NASA Astrophysics Data System (ADS)

Vignon, Etienne; Hourdin, Frédéric; Genthon, Christophe; Van de Wiel, Bas J. H.; Gallée, Hubert; Madeleine, Jean-Baptiste; Beaumet, Julien

2018-01-01

Observations evidence extremely stable boundary layers (SBL) over the Antarctic Plateau and sharp regime transitions between weakly and very stable conditions. Representing such features is a challenge for climate models. This study assesses the modeling of the dynamics of the boundary layer over the Antarctic Plateau in the LMDZ general circulation model. It uses 1 year simulations with a stretched-grid over Dome C. The model is nudged with reanalyses outside of the Dome C region such as simulations can be directly compared to in situ observations. We underline the critical role of the downward longwave radiation for modeling the surface temperature. LMDZ reasonably represents the near-surface seasonal profiles of wind and temperature but strong temperature inversions are degraded by enhanced turbulent mixing formulations. Unlike ERA-Interim reanalyses, LMDZ reproduces two SBL regimes and the regime transition, with a sudden increase in the near-surface inversion with decreasing wind speed. The sharpness of the transition depends on the stability function used for calculating the surface drag coefficient. Moreover, using a refined vertical grid leads to a better reversed "S-shaped" relationship between the inversion and the wind. Sudden warming events associated to synoptic advections of warm and moist air are also well reproduced. Near-surface supersaturation with respect to ice is not allowed in LMDZ but the impact on the SBL structure is moderate. Finally, climate simulations with the free model show that the recommended configuration leads to stronger inversions and winds over the ice-sheet. However, the near-surface wind remains underestimated over the slopes of East-Antarctica.

A Prototype Physical Database for Passive Microwave Retrievals of Precipitation over the US Southern Great Plains

NASA Technical Reports Server (NTRS)

Ringerud, S.; Kummerow, C. D.; Peters-Lidard, C. D.

2015-01-01

An accurate understanding of the instantaneous, dynamic land surface emissivity is necessary for a physically based, multi-channel passive microwave precipitation retrieval scheme over land. In an effort to assess the feasibility of the physical approach for land surfaces, a semi-empirical emissivity model is applied for calculation of the surface component in a test area of the US Southern Great Plains. A physical emissivity model, using land surface model data as input, is used to calculate emissivity at the 10GHz frequency, combining contributions from the underlying soil and vegetation layers, including the dielectric and roughness effects of each medium. An empirical technique is then applied, based upon a robust set of observed channel covariances, extending the emissivity calculations to all channels. For calculation of the hydrometeor contribution, reflectivity profiles from the Tropical Rainfall Measurement Mission Precipitation Radar (TRMM PR) are utilized along with coincident brightness temperatures (Tbs) from the TRMM Microwave Imager (TMI), and cloud-resolving model profiles. Ice profiles are modified to be consistent with the higher frequency microwave Tbs. Resulting modeled top of the atmosphere Tbs show correlations to observations of 0.9, biases of 1K or less, root-mean-square errors on the order of 5K, and improved agreement over the use of climatological emissivity values. The synthesis of these models and data sets leads to the creation of a simple prototype Tb database that includes both dynamic surface and atmospheric information physically consistent with the land surface model, emissivity model, and atmospheric information.

Development and Validation of Computational Fluid Dynamics Models for Prediction of Heat Transfer and Thermal Microenvironments of Corals

PubMed Central

Ong, Robert H.; King, Andrew J. C.; Mullins, Benjamin J.; Cooper, Timothy F.; Caley, M. Julian

2012-01-01

We present Computational Fluid Dynamics (CFD) models of the coupled dynamics of water flow, heat transfer and irradiance in and around corals to predict temperatures experienced by corals. These models were validated against controlled laboratory experiments, under constant and transient irradiance, for hemispherical and branching corals. Our CFD models agree very well with experimental studies. A linear relationship between irradiance and coral surface warming was evident in both the simulation and experimental result agreeing with heat transfer theory. However, CFD models for the steady state simulation produced a better fit to the linear relationship than the experimental data, likely due to experimental error in the empirical measurements. The consistency of our modelling results with experimental observations demonstrates the applicability of CFD simulations, such as the models developed here, to coral bleaching studies. A study of the influence of coral skeletal porosity and skeletal bulk density on surface warming was also undertaken, demonstrating boundary layer behaviour, and interstitial flow magnitude and temperature profiles in coral cross sections. Our models compliment recent studies showing systematic changes in these parameters in some coral colonies and have utility in the prediction of coral bleaching. PMID:22701582

Protein modeling and molecular dynamics simulation of the two novel surfactant proteins SP-G and SP-H.

PubMed

Rausch, Felix; Schicht, Martin; Bräuer, Lars; Paulsen, Friedrich; Brandt, Wolfgang

2014-11-01

Surfactant proteins are well known from the human lung where they are responsible for the stability and flexibility of the pulmonary surfactant system. They are able to influence the surface tension of the gas-liquid interface specifically by directly interacting with single lipids. This work describes the generation of reliable protein structure models to support the experimental characterization of two novel putative surfactant proteins called SP-G and SP-H. The obtained protein models were complemented by predicted posttranslational modifications and placed in a lipid model system mimicking the pulmonary surface. Molecular dynamics simulations of these protein-lipid systems showed the stability of the protein models and the formation of interactions between protein surface and lipid head groups on an atomic scale. Thereby, interaction interface and strength seem to be dependent on orientation and posttranslational modification of the protein. The here presented modeling was fundamental for experimental localization studies and the simulations showed that SP-G and SP-H are theoretically able to interact with lipid systems and thus are members of the surfactant protein family.

Statistical mechanical models for dissociative adsorption of O2 on metal(100) surfaces with blocking, steering, and funneling

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

Evans, James W.; Liu, Da-Jiang

We develop statistical mechanical models amenable to analytic treatment for the dissociative adsorption of O2 at hollow sites on fcc(100) metal surfaces. The models incorporate exclusion of nearest-neighbor pairs of adsorbed O. However, corresponding simple site-blocking models, where adsorption requires a large ensemble of available sites, exhibit an anomalously fast initial decrease in sticking. Thus, in addition to blocking, our models also incorporate more facile adsorption via orientational steering and funneling dynamics (features supported by ab initio Molecular Dynamics studies). Behavior for equilibrated adlayers is distinct from those with finite adspecies mobility. We focus on the low-temperature limited-mobility regime wheremore » analysis of the associated master equations readily produces exact results for both short- and long-time behavior. Kinetic Monte Carlo simulation is also utilized to provide a more complete picture of behavior. These models capture both the initial decrease and the saturation of the experimentally observed sticking versus coverage, as well as features of non-equilibrium adlayer ordering as assessed by surface-sensitive diffraction.« less

Statistical mechanical models for dissociative adsorption of O{sub 2} on metal(100) surfaces with blocking, steering, and funneling

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

Evans, James W.; Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011; Liu, Da-Jiang

We develop statistical mechanical models amenable to analytic treatment for the dissociative adsorption of O{sub 2} at hollow sites on fcc(100) metal surfaces. The models incorporate exclusion of nearest-neighbor pairs of adsorbed O. However, corresponding simple site-blocking models, where adsorption requires a large ensemble of available sites, exhibit an anomalously fast initial decrease in sticking. Thus, in addition to blocking, our models also incorporate more facile adsorption via orientational steering and funneling dynamics (features supported by ab initio Molecular Dynamics studies). Behavior for equilibrated adlayers is distinct from those with finite adspecies mobility. We focus on the low-temperature limited-mobility regimemore » where analysis of the associated master equations readily produces exact results for both short- and long-time behavior. Kinetic Monte Carlo simulation is also utilized to provide a more complete picture of behavior. These models capture both the initial decrease and the saturation of the experimentally observed sticking versus coverage, as well as features of non-equilibrium adlayer ordering as assessed by surface-sensitive diffraction.« less

MODELING THE INTERACTION OF AGROCHEMICALS WITH ENVIRONMENTAL SURFACES

EPA Science Inventory

The interactions between agrochemicals and organo-mineral surfaces were studied using molecular mechanical conformational calculations and molecular dynamics simulations. Atrazine (2-chloro-4-ethylamino-6-isopropylamino-s-triazine), 2,4-D (1, 2-dichlorophenoxyacetic acid), and DD...

Earth survey applications division: Research leading to the effective use of space technology in applications relating to the Earth's surface and interior

NASA Technical Reports Server (NTRS)

Carpenter, L. (Editor)

1980-01-01

Accomplishments and future plans are described for the following areas: (1) geology - geobotanical indicators and geopotential data; (2) modeling magnetic fields; (3) modeling the structure, composition, and evolution of the Earth's crust; (4) global and regional motions of the Earth's crust and earthquake occurrence; (5) modeling geopotential from satellite tracking data; (6) modeling the Earth's gravity field; (7) global Earth dynamics; (8) sea surface topography, ocean dynamics; and geophysical interpretation; (9) land cover and land use; (10) physical and remote sensing attributes important in detecting, measuring, and monitoring agricultural crops; (11) prelaunch studies using LANDSAT D; (12) the multispectral linear array; (13) the aircraft linear array pushbroom radiometer; and (14) the spaceborne laser ranging system.

Nonequilibrium Statistical Mechanics in One Dimension

NASA Astrophysics Data System (ADS)

Privman, Vladimir

2005-08-01

Part I. Reaction-Diffusion Systems and Models of Catalysis; 1. Scaling theories of diffusion-controlled and ballistically-controlled bimolecular reactions S. Redner; 2. The coalescence process, A+A->A, and the method of interparticle distribution functions D. ben-Avraham; 3. Critical phenomena at absorbing states R. Dickman; Part II. Kinetic Ising Models; 4. Kinetic ising models with competing dynamics: mappings, correlations, steady states, and phase transitions Z. Racz; 5. Glauber dynamics of the ising model N. Ito; 6. 1D Kinetic ising models at low temperatures - critical dynamics, domain growth, and freezing S. Cornell; Part III. Ordering, Coagulation, Phase Separation; 7. Phase-ordering dynamics in one dimension A. J. Bray; 8. Phase separation, cluster growth, and reaction kinetics in models with synchronous dynamics V. Privman; 9. Stochastic models of aggregation with injection H. Takayasu and M. Takayasu; Part IV. Random Sequential Adsorption and Relaxation Processes; 10. Random and cooperative sequential adsorption: exactly solvable problems on 1D lattices, continuum limits, and 2D extensions J. W. Evans; 11. Lattice models of irreversible adsorption and diffusion P. Nielaba; 12. Deposition-evaporation dynamics: jamming, conservation laws and dynamical diversity M. Barma; Part V. Fluctuations In Particle and Surface Systems; 13. Microscopic models of macroscopic shocks S. A. Janowsky and J. L. Lebowitz; 14. The asymmetric exclusion model: exact results through a matrix approach B. Derrida and M. R. Evans; 15. Nonequilibrium surface dynamics with volume conservation J. Krug; 16. Directed walks models of polymers and wetting J. Yeomans; Part VI. Diffusion and Transport In One Dimension; 17. Some recent exact solutions of the Fokker-Planck equation H. L. Frisch; 18. Random walks, resonance, and ratchets C. R. Doering and T. C. Elston; 19. One-dimensional random walks in random environment K. Ziegler; Part VII. Experimental Results; 20. Diffusion-limited exciton kinetics in one-dimensional systems R. Kroon and R. Sprik; 21. Experimental investigations of molecular and excitonic elementary reaction kinetics in one-dimensional systems R. Kopelman and A. L. Lin; 22. Luminescence quenching as a probe of particle distribution S. H. Bossmann and L. S. Schulman; Index.

A simplified model for dynamics of cell rolling and cell-surface adhesion

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

Cimrák, Ivan, E-mail: ivan.cimrak@fri.uniza.sk

2015-03-10

We propose a three dimensional model for the adhesion and rolling of biological cells on surfaces. We study cells moving in shear flow above a wall to which they can adhere via specific receptor-ligand bonds based on receptors from selectin as well as integrin family. The computational fluid dynamics are governed by the lattice-Boltzmann method. The movement and the deformation of the cells is described by the immersed boundary method. Both methods are fully coupled by implementing a two-way fluid-structure interaction. The adhesion mechanism is modelled by adhesive bonds including stochastic rules for their creation and rupture. We explore amore » simplified model with dissociation rate independent of the length of the bonds. We demonstrate that this model is able to resemble the mesoscopic properties, such as velocity of rolling cells.« less

Physical Modeling of Contact Processes on the Cutting Tools Surfaces of STM When Turning

NASA Astrophysics Data System (ADS)

Belozerov, V. A.; Uteshev, M. H.

2016-08-01

This article describes how to create an optimization model of the process of fine turning of superalloys and steel tools from STM on CNC machines, flexible manufacturing units (GPM), machining centers. Creation of the optimization model allows you to link (unite) contact processes simultaneously on the front and back surfaces of the tool from STM to manage contact processes and the dynamic strength of the cutting tool at the top of the STM. Established optimization model of management of the dynamic strength of the incisors of the STM in the process of fine turning is based on a previously developed thermomechanical (physical, heat) model, which allows the system thermomechanical approach to choosing brands STM (domestic and foreign) for cutting tools from STM designed for fine turning of heat resistant alloys and steels.

Automated dynamic feature tracking of RSLs on the Martian surface through HiRISE super-resolution restoration and 3D reconstruction techniques

NASA Astrophysics Data System (ADS)

Tao, Y.; Muller, J.-P.

2017-09-01

In this paper, we demonstrate novel Super-resolution restoration and 3D reconstruction tools developed within the EU FP7 projects and their applications to advanced dynamic feature tracking through HiRISE repeat stereo. We show an example with one of the RSL sites in the Palikir Crater took 8 repeat-pass 25cm HiRISE images from which a 5cm RSL-free SRR image is generated using GPT-SRR. Together with repeat 3D modelling of the same area, it allows us to overlay tracked dynamic features onto the reconstructed "original" surface, providing a much more comprehensive interpretation of the surface formation processes in 3D.

Investigation of Phase Transition-Based Tethered Systems for Small Body Sample Capture

NASA Technical Reports Server (NTRS)

Quadrelli, Marco; Backes, Paul; Wilkie, Keats; Giersch, Lou; Quijano, Ubaldo; Scharf, Daniel; Mukherjee, Rudranarayan

2009-01-01

This paper summarizes the modeling, simulation, and testing work related to the development of technology to investigate the potential that shape memory actuation has to provide mechanically simple and affordable solutions for delivering assets to a surface and for sample capture and possible return to Earth. We investigate the structural dynamics and controllability aspects of an adaptive beam carrying an end-effector which, by changing equilibrium phases is able to actively decouple the end-effector dynamics from the spacecraft dynamics during the surface contact phase. Asset delivery and sample capture and return are at the heart of several emerging potential missions to small bodies, such as asteroids and comets, and to the surface of large bodies, such as Titan.

A Digital Map From External Forcing to the Final Surface Warming Pattern and its Seasonal Cycle

NASA Astrophysics Data System (ADS)

Cai, M.

2015-12-01

Historically, only the thermodynamic processes (e.g., water vapor, cloud, surface albedo, and atmospheric lapse rate) that directly influence the top of the atmosphere (TOA) radiative energy flux balance are considered in climate feedback analysis. One of my recent research areas is to develop a new framework for climate feedback analysis that explicitly takes into consideration not only the thermodynamic processes that the directly influence the TOA radiative energy flux balance but also the local dynamical (e.g., evaporation, surface sensible heat flux, vertical convections etc) and non-local dynamical (large-scale horizontal energy transport) processes in aiming to explain the warming asymmetry between high and low latitudes, between ocean and land, and between the surface and atmosphere. In the last 5-6 years, we have developed a coupled atmosphere-surface climate feedback-response analysis method (CFRAM) as a new framework for estimating climate feedback and sensitivity in coupled general circulation models with a full physical parameterization package. In the CFRAM, the isolation of partial temperature changes due to an external forcing alone or an individual feedback is achieved by solving the linearized infrared radiation transfer model subject to individual energy flux perturbations (external or due to feedbacks). The partial temperature changes are addable and their sum is equal to the (total) temperature change (in the linear sense). The CFRAM is used to isolate the partial temperature changes due to the external forcing, due to water vapor feedback, clouds, surface albedo, local vertical convection, and non-local atmospheric dynamical feedbacks, as well as oceanic heat storage. It has been shown that seasonal variations in the cloud feedback, surface albedo feedback, and ocean heat storage/dynamics feedback, directly caused by the strong annual cycle of insolation, contribute primarily to the large seasonal variation of polar warming. Furthermore, the CO2 forcing, and water vapor and atmospheric dynamics feedbacks add to the maximum polar warming in fall/winter.

A coarse-grained model of microtubule self-assembly

NASA Astrophysics Data System (ADS)

Regmi, Chola; Cheng, Shengfeng

Microtubules play critical roles in cell structures and functions. They also serve as a model system to stimulate the next-generation smart, dynamic materials. A deep understanding of their self-assembly process and biomechanical properties will not only help elucidate how microtubules perform biological functions, but also lead to exciting insight on how microtubule dynamics can be altered or even controlled for specific purposes such as suppressing the division of cancer cells. Combining all-atom molecular dynamics (MD) simulations and the essential dynamics coarse-graining method, we construct a coarse-grained (CG) model of the tubulin protein, which is the building block of microtubules. In the CG model a tubulin dimer is represented as an elastic network of CG sites, the locations of which are determined by examining the protein dynamics of the tubulin and identifying the essential dynamic domains. Atomistic MD modeling is employed to directly compute the tubulin bond energies in the surface lattice of a microtubule, which are used to parameterize the interactions between CG building blocks. The CG model is then used to study the self-assembly pathways, kinetics, dynamics, and nanomechanics of microtubules.

Analysis of NASA Common Research Model Dynamic Data

NASA Technical Reports Server (NTRS)

Balakrishna, S.; Acheson, Michael J.

2011-01-01

Recent NASA Common Research Model (CRM) tests at the Langley National Transonic Facility (NTF) and Ames 11-foot Transonic Wind Tunnel (11-foot TWT) have generated an experimental database for CFD code validation. The database consists of force and moment, surface pressures and wideband wing-root dynamic strain/wing Kulite data from continuous sweep pitch polars. The dynamic data sets, acquired at 12,800 Hz sampling rate, are analyzed in this study to evaluate CRM wing buffet onset and potential CRM wing flow separation.

High resolution modelling and observation of wind-driven surface currents in a semi-enclosed estuary

NASA Astrophysics Data System (ADS)

Nash, S.; Hartnett, M.; McKinstry, A.; Ragnoli, E.; Nagle, D.

2012-04-01

Hydrodynamic circulation in estuaries is primarily driven by tides, river inflows and surface winds. While tidal and river data can be quite easily obtained for input to hydrodynamic models, sourcing accurate surface wind data is problematic. Firstly, the wind data used in hydrodynamic models is usually measured on land and can be quite different in magnitude and direction from offshore winds. Secondly, surface winds are spatially-varying but due to a lack of data it is common practice to specify a non-varying wind speed and direction across the full extents of a model domain. These problems can lead to inaccuracies in the surface currents computed by three-dimensional hydrodynamic models. In the present research, a wind forecast model is coupled with a three-dimensional numerical model of Galway Bay, a semi-enclosed estuary on the west coast of Ireland, to investigate the effect of surface wind data resolution on model accuracy. High resolution and low resolution wind fields are specified to the model and the computed surface currents are compared with high resolution surface current measurements obtained from two high frequency SeaSonde-type Coastal Ocean Dynamics Applications Radars (CODAR). The wind forecast models used for the research are Harmonie cy361.3, running on 2.5 and 0.5km spatial grids for the low resolution and high resolution models respectively. The low-resolution model runs over an Irish domain on 540x500 grid points with 60 vertical levels and a 60s timestep and is driven by ECMWF boundary conditions. The nested high-resolution model uses 300x300 grid points on 60 vertical levels and a 12s timestep. EFDC (Environmental Fluid Dynamics Code) is used for the hydrodynamic model. The Galway Bay model has ten vertical layers and is resolved spatially and temporally at 150m and 4 sec respectively. The hydrodynamic model is run for selected hindcast dates when wind fields were highly energetic. Spatially- and temporally-varying wind data is provided by offline coupling with the wind forecast models. Modelled surface currents show good correlation with CODAR observed currents and the resolution of the surface wind data is shown to be important for model accuracy.

Spreading of a pendant liquid drop underneath a textured substrate

NASA Astrophysics Data System (ADS)

Mistry, Aashutosh; Muralidhar, K.

2018-04-01

A pendant drop spreading underneath a partially wetting surface from an initial shape to its final equilibrium configuration and contact angle is studied. A mathematical formulation that quantifies spreading behavior of liquid drops over textured surfaces is discussed. The drop volume and the equilibrium contact angle are treated as parameters in the study. The unbalanced force at the three-phase contact line is modeled as being proportional to the degree of departure from the equilibrium state. Model predictions are verified against the available experimental data in the literature. Results show that the flow dynamics is strongly influenced by the fluid properties, drop volume, and contact angle of the liquid with the partially wetting surface. The drop exhibits rich dynamical behavior including inertial oscillations and gravitational instability, given that gravity tries to detach the drop against wetting contributions. Flow characteristics of drop motion, namely, the radius of the footprint, slip length, and dynamic contact angle in the pendant configuration are presented. Given the interplay among the competing time-dependent forces, a spreading drop can momentarily be destabilized and not achieve a stable equilibrium shape. Instability is then controlled by the initial drop shape as well. The spreading model is used to delineate stable and unstable regimes in the parameter space. Predictions of the drop volume based on the Young-Laplace equation are seen to be conservative relative to the estimates of the dynamical model discussed in the present study.

Influence of inhomogeneous surface heat capacity on the estimation of radiative response coefficients in a two-zone energy balance model

NASA Astrophysics Data System (ADS)

Park, Jungmin; Choi, Yong-Sang

2018-04-01

Observationally constrained values of the global radiative response coefficient are pivotal to assess the reliability of modeled climate feedbacks. A widely used approach is to measure transient global radiative imbalance related to surface temperature changes. However, in this approach, a potential error in the estimate of radiative response coefficients may arise from surface inhomogeneity in the climate system. We examined this issue theoretically using a simple two-zone energy balance model. Here, we dealt with the potential error by subtracting the prescribed radiative response coefficient from those calculated within the two-zone framework. Each zone was characterized by the different magnitude of the radiative response coefficient and the surface heat capacity, and the dynamical heat transport in the atmosphere between the zones was parameterized as a linear function of the temperature difference between the zones. Then, the model system was forced by randomly generated monthly varying forcing mimicking time-varying forcing like an observation. The repeated simulations showed that inhomogeneous surface heat capacity causes considerable miscalculation (down to -1.4 W m-2 K-1 equivalent to 31.3% of the prescribed value) in the global radiative response coefficient. Also, the dynamical heat transport reduced this miscalculation driven by inhomogeneity of surface heat capacity. Therefore, the estimation of radiative response coefficients using the surface temperature-radiation relation is appropriate for homogeneous surface areas least affected by the exterior.

The READY program: Building a global potential energy surface and reactive dynamic simulations for the hydrogen combustion.

PubMed

Mogo, César; Brandão, João

2014-06-30

READY (REActive DYnamics) is a program for studying reactive dynamic systems using a global potential energy surface (PES) built from previously existing PESs corresponding to each of the most important elementary reactions present in the system. We present an application to the combustion dynamics of a mixture of hydrogen and oxygen using accurate PESs for all the systems involving up to four oxygen and hydrogen atoms. Results at the temperature of 4000 K and pressure of 2 atm are presented and compared with model based on rate constants. Drawbacks and advantages of this approach are discussed and future directions of research are pointed out. Copyright © 2014 Wiley Periodicals, Inc.

Enhanced charging kinetics of porous electrodes: surface conduction as a short-circuit mechanism.

PubMed

Mirzadeh, Mohammad; Gibou, Frederic; Squires, Todd M

2014-08-29

We use direct numerical simulations of the Poisson-Nernst-Planck equations to study the charging kinetics of porous electrodes and to evaluate the predictive capabilities of effective circuit models, both linear and nonlinear. The classic transmission line theory of de Levie holds for general electrode morphologies, but only at low applied potentials. Charging dynamics are slowed appreciably at high potentials, yet not as significantly as predicted by the nonlinear transmission line model of Biesheuvel and Bazant. We identify surface conduction as a mechanism which can effectively "short circuit" the high-resistance electrolyte in the bulk of the pores, thus accelerating the charging dynamics and boosting power densities. Notably, the boost in power density holds only for electrode morphologies with continuous conducting surfaces in the charging direction.

Single-bubble dynamics in pool boiling of one-component fluids.

PubMed

Xu, Xinpeng; Qian, Tiezheng

2014-06-01

We numerically investigate the pool boiling of one-component fluids with a focus on the effects of surface wettability on the single-bubble dynamics. We employed the dynamic van der Waals theory [Phys. Rev. E 75, 036304 (2007)], a diffuse-interface model for liquid-vapor flows involving liquid-vapor transition in nonuniform temperature fields. We first perform simulations for bubbles on homogeneous surfaces. We find that an increase in either the contact angle or the surface superheating can enhance the bubble spreading over the heating surface and increase the bubble departure diameter as well and therefore facilitate the transition into film boiling. We then examine the dynamics of bubbles on patterned surfaces, which incorporate the advantages of both hydrophobic and hydrophilic surfaces. The central hydrophobic region increases the thermodynamic probability of bubble nucleation while the surrounding hydrophilic region hinders the continuous bubble spreading by pinning the contact line at the hydrophobic-hydrophilic intersection. This leads to a small bubble departure diameter and therefore prevents the transition from nucleate boiling into film boiling. With the bubble nucleation probability increased and the bubble departure facilitated, the efficiency of heat transfer on such patterned surfaces is highly enhanced, as observed experimentally [Int. J. Heat Mass Transfer 57, 733 (2013)]. In addition, the stick-slip motion of contact line on patterned surfaces is demonstrated in one-component fluids, with the effect weakened by surface superheating.

Seasonal Prediction of Regional Surface Air Temperature and First-flowering Date in South Korea using Dynamical Downscaling

NASA Astrophysics Data System (ADS)

Ahn, J. B.; Hur, J.

2015-12-01

The seasonal prediction of both the surface air temperature and the first-flowering date (FFD) over South Korea are produced using dynamical downscaling (Hur and Ahn, 2015). Dynamical downscaling is performed using Weather Research and Forecast (WRF) v3.0 with the lateral forcing from hourly outputs of Pusan National University (PNU) coupled general circulation model (CGCM) v1.1. Gridded surface air temperature data with high spatial (3km) and temporal (daily) resolution are obtained using the physically-based dynamical models. To reduce systematic bias, simple statistical correction method is then applied to the model output. The FFDs of cherry, peach and pear in South Korea are predicted for the decade of 1999-2008 by applying the corrected daily temperature predictions to the phenological thermal-time model. The WRF v3.0 results reflect the detailed topographical effect, despite having cold and warm biases for warm and cold seasons, respectively. After applying the correction, the mean temperature for early spring (February to April) well represents the general pattern of observation, while preserving the advantages of dynamical downscaling. The FFD predictabilities for the three species of trees are evaluated in terms of qualitative, quantitative and categorical estimations. Although FFDs derived from the corrected WRF results well predict the spatial distribution and the variation of observation, the prediction performance has no statistical significance or appropriate predictability. The approach used in the study may be helpful in obtaining detailed and useful information about FFD and regional temperature by accounting for physically-based atmospheric dynamics, although the seasonal predictability of flowering phenology is not high enough. Acknowledgements This work was carried out with the support of the Rural Development Administration Cooperative Research Program for Agriculture Science and Technology Development under Grant Project No. PJ009953 and Project No. PJ009353, Republic of Korea. Reference Hur, J., J.-B. Ahn, 2015. Seasonal Prediction of Regional Surface Air Temperature and First-flowering Date over South Korea, Int. J. Climatol., DOI: 10.1002/joc.4323.

Model for the interpretation of nuclear magnetic resonance relaxometry of hydrated porous silicate materials

NASA Astrophysics Data System (ADS)

Faux, D. A.; Cachia, S.-H. P.; McDonald, P. J.; Bhatt, J. S.; Howlett, N. C.; Churakov, S. V.

2015-03-01

Nuclear magnetic resonance (NMR) relaxation experimentation is an effective technique for probing the dynamics of proton spins in porous media, but interpretation requires the application of appropriate spin-diffusion models. Molecular dynamics (MD) simulations of porous silicate-based systems containing a quasi-two-dimensional water-filled pore are presented. The MD simulations suggest that the residency time of the water on the pore surface is in the range 0.03-12 ns, typically 2-5 orders of magnitude less than values determined from fits to experimental NMR measurements using the established surface-layer (SL) diffusion models of Korb and co-workers [Phys. Rev. E 56, 1934 (1997), 10.1103/PhysRevE.56.1934]. Instead, MD identifies four distinct water layers in a tobermorite-based pore containing surface Ca2 + ions. Three highly structured water layers exist within 1 nm of the surface and the central region of the pore contains a homogeneous region of bulklike water. These regions are referred to as layer 1 and 2 (L1, L2), transition layer (TL), and bulk (B), respectively. Guided by the MD simulations, a two-layer (2L) spin-diffusion NMR relaxation model is proposed comprising two two-dimensional layers of slow- and fast-moving water associated with L2 and layers TL+B, respectively. The 2L model provides an improved fit to NMR relaxation times obtained from cementitious material compared to the SL model, yields diffusion correlation times in the range 18-75 ns and 28-40 ps in good agreement with MD, and resolves the surface residency time discrepancy. The 2L model, coupled with NMR relaxation experimentation, provides a simple yet powerful method of characterizing the dynamical properties of proton-bearing porous silicate-based systems such as porous glasses, cementitious materials, and oil-bearing rocks.

Fluorescence quenching studies of potential-dependent DNA reorientation dynamics at glassy carbon electrode surfaces.

PubMed

Li, Qin; Cui, Chenchen; Higgins, Daniel A; Li, Jun

2012-09-05

The potential-dependent reorientation dynamics of double-stranded DNA (ds-DNA) attached to planar glassy carbon electrode (GCE) surfaces were investigated. The orientation state of surface-bound ds-DNA was followed by monitoring the fluorescence from a 6-carboxyfluorescein (FAM6) fluorophore covalently linked to the distal end of the DNA. Positive potentials (i.e., +0.2 V vs open circuit potential, OCP) caused the ds-DNA to align parallel to the electrode surface, resulting in strong dipole-electrode quenching of FAM6 fluorescence. Switching of the GCE potential to negative values (i.e., -0.2 V vs OCP) caused the ds-DNA to reorient perpendicular to the electrode surface, with a concomitant increase in FAM6 fluorescence. In addition to the very fast (submilliseconds) dynamics of the initial reorientation process, slow (0.1-0.9 s) relaxation of FAM6 fluorescence to intermediate levels was also observed after potential switching. These dynamics have not been previously described in the literature. They are too slow to be explained by double layer charging, and chronoamperometry data showed no evidence of such effects. Both the amplitude and rate of the dynamics were found to depend upon buffer concentration, and ds-DNA length, demonstrating a dependence on the double layer field. The dynamics are concluded to arise from previously undetected complexities in the mechanism of potential-dependent ds-DNA reorientation. The possible origins of these dynamics are discussed. A better understanding of these dynamics will lead to improved models for potential-dependent ds-DNA reorientation at electrode surfaces and will facilitate the development of advanced electrochemical devices for detection of target DNAs.

Dynamic wind-tunnel tests of an aeromechanical gust-alleviation system using several different combinations of control surfaces

NASA Technical Reports Server (NTRS)

Stewart, E. C.; Doggett, R. V., Jr.

1978-01-01

Some experimental results are presented from wind tunnel studies of a dynamic model equipped with an aeromechanical gust alleviation system for reducing the normal acceleration response of light airplanes. The gust alleviation system consists of two auxiliary aerodynamic surfaces that deflect the wing flaps through mechanical linkages when a gust is encountered to maintain nearly constant airplane lift. The gust alleviation system was implemented on a 1/6-scale, rod mounted, free flying model that is geometrically and dynamically representative of small, four place, high wing, single engine, light airplanes. The effects of flaps with different spans, two size of auxiliary aerodynamic surfaces, plain and double hinged flaps, and a flap elevator interconnection were studied. The model test results are presented in terms of predicted root mean square response of the full scale airplane to atmospheric turbulence. The results show that the gust alleviation system reduces the root mean square normal acceleration response by 30 percent in comparison with the response in the flaps locked condition. Small reductions in pitch-rate response were also obtained. It is believed that substantially larger reductions in normal acceleration can be achieved by reducing the rather high levels of mechanical friction which were extant in the alleviation system of the present model.

Dynamic modeling of injection-induced fault reactivation and ground motion and impact on surface structures and human perception

DOE PAGES

Rutqvist, Jonny; Cappa, Frederic; Rinaldi, Antonio P.; ...

2014-12-31

We summarize recent modeling studies of injection-induced fault reactivation, seismicity, and its potential impact on surface structures and nuisance to the local human population. We used coupled multiphase fluid flow and geomechanical numerical modeling, dynamic wave propagation modeling, seismology theories, and empirical vibration criteria from mining and construction industries. We first simulated injection-induced fault reactivation, including dynamic fault slip, seismic source, wave propagation, and ground vibrations. From co-seismic average shear displacement and rupture area, we determined the moment magnitude to about M w = 3 for an injection-induced fault reactivation at a depth of about 1000 m. We then analyzedmore » the ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV), and frequency content, with comparison to the U.S. Bureau of Mines’ vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. For the considered synthetic M w = 3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, and would not cause, in this particular case, upward CO 2 leakage, but would certainly be felt by the local population.« less

Computational Fluid Dynamics Simulation of Flows in an Oxidation Ditch Driven by a New Surface Aerator

PubMed Central

Huang, Weidong; Li, Kun; Wang, Gan; Wang, Yingzhe

2013-01-01

Abstract In this article, we present a newly designed inverse umbrella surface aerator, and tested its performance in driving flow of an oxidation ditch. Results show that it has a better performance in driving the oxidation ditch than the original one with higher average velocity and more uniform flow field. We also present a computational fluid dynamics model for predicting the flow field in an oxidation ditch driven by a surface aerator. The improved momentum source term approach to simulate the flow field of the oxidation ditch driven by an inverse umbrella surface aerator was developed and validated through experiments. Four kinds of turbulent models were investigated with the approach, including the standard k−ɛ model, RNG k−ɛ model, realizable k−ɛ model, and Reynolds stress model, and the predicted data were compared with those calculated with the multiple rotating reference frame approach (MRF) and sliding mesh approach (SM). Results of the momentum source term approach are in good agreement with the experimental data, and its prediction accuracy is better than MRF, close to SM. It is also found that the momentum source term approach has lower computational expenses, is simpler to preprocess, and is easier to use. PMID:24302850

Model of photoinduced structural change induced by THz pulse irradiation

NASA Astrophysics Data System (ADS)

Ishida, Kunio; Nasu, Keiichiro

Recently intense optical pulses with THz frequency have been obtained, and it is of interest to study the effect of irradiated THz pulses on electronic systems. We theoretically study the photoinduced cooperative dynamics triggered by irradiation of THz pulses. We employed a model of two-level localized electrons coupled with an optical phonon mode taking into account the nonadiabaticity of the electron dynamics, and solved the time-dependent Schrödinger equation numerically. We consider the cases in which the THz pulses create phonons near the surface of the system, and pursue the electronic transitions induced by the propagation of the phonons. We found that they are able to induce excited-state domain growth, and that the interference between them plays an important role in the growth dynamics. Hence, the domain growth is affected by the geometry of the surface of the system, which is different from the photoinduced structural change by visible/UV pulses. We also show that the nonadiabatic/adiabatic electronic transitions should be taken into account though the domain growth mainly proceeds on the ground-state potential energy surfaces(PESs). In other words, the energy level/structure of excited-state PESs are relevant to the domain-growth dynamics.

Model for dynamic self-assembled magnetic surface structures

NASA Astrophysics Data System (ADS)

Belkin, M.; Glatz, A.; Snezhko, A.; Aranson, I. S.

2010-07-01

We propose a first-principles model for the dynamic self-assembly of magnetic structures at a water-air interface reported in earlier experiments. The model is based on the Navier-Stokes equation for liquids in shallow water approximation coupled to Newton equations for interacting magnetic particles suspended at a water-air interface. The model reproduces most of the observed phenomenology, including spontaneous formation of magnetic snakelike structures, generation of large-scale vortex flows, complex ferromagnetic-antiferromagnetic ordering of the snake, and self-propulsion of bead-snake hybrids.

Model of coordination melting of crystals and anisotropy of physical and chemical properties of the surface

NASA Astrophysics Data System (ADS)

Bokarev, Valery P.; Krasnikov, Gennady Ya

2018-02-01

Based on the evaluation of the properties of crystals, such as surface energy and its anisotropy, the surface melting temperature, the anisotropy of the work function of the electron, and the anisotropy of adsorption, were shown the advantages of the model of coordination melting (MCM) in calculating the surface properties of crystals. The model of coordination melting makes it possible to calculate with an acceptable accuracy the specific surface energy of the crystals, the anisotropy of the surface energy, the habit of the natural crystals, the temperature of surface melting of the crystal, the anisotropy of the electron work function and the anisotropy of the adhesive properties of single-crystal surfaces. The advantage of our model is the simplicity of evaluating the surface properties of the crystal based on the data given in the reference literature. In this case, there is no need for a complex mathematical tool, which is used in calculations using quantum chemistry or modeling by molecular dynamics.

Laser Induced Aluminum Surface Breakdown Model

NASA Technical Reports Server (NTRS)

Chen, Yen-Sen; Liu, Jiwen; Zhang, Sijun; Wang, Ten-See (Technical Monitor)

2002-01-01

Laser powered propulsion systems involve complex fluid dynamics, thermodynamics and radiative transfer processes. Based on an unstructured grid, pressure-based computational aerothermodynamics; platform, several sub-models describing such underlying physics as laser ray tracing and focusing, thermal non-equilibrium, plasma radiation and air spark ignition have been developed. This proposed work shall extend the numerical platform and existing sub-models to include the aluminum wall surface Inverse Bremsstrahlung (IB) effect from which surface ablation and free-electron generation can be initiated without relying on the air spark ignition sub-model. The following tasks will be performed to accomplish the research objectives.

Site-level model intercomparison of high latitude and high altitude soil thermal dynamics in tundra and barren landscapes

NASA Astrophysics Data System (ADS)

Ekici, A.; Chadburn, S.; Chaudhary, N.; Hajdu, L. H.; Marmy, A.; Peng, S.; Boike, J.; Burke, E.; Friend, A. D.; Hauck, C.; Krinner, G.; Langer, M.; Miller, P. A.; Beer, C.

2015-07-01

Modeling soil thermal dynamics at high latitudes and altitudes requires representations of physical processes such as snow insulation, soil freezing and thawing and subsurface conditions like soil water/ice content and soil texture. We have compared six different land models: JSBACH, ORCHIDEE, JULES, COUP, HYBRID8 and LPJ-GUESS, at four different sites with distinct cold region landscape types, to identify the importance of physical processes in capturing observed temperature dynamics in soils. The sites include alpine, high Arctic, wet polygonal tundra and non-permafrost Arctic, thus showing how a range of models can represent distinct soil temperature regimes. For all sites, snow insulation is of major importance for estimating topsoil conditions. However, soil physics is essential for the subsoil temperature dynamics and thus the active layer thicknesses. This analysis shows that land models need more realistic surface processes, such as detailed snow dynamics and moss cover with changing thickness and wetness, along with better representations of subsoil thermal dynamics.

Thermal characterization assessment of rigid and flexible water models in a nanogap using molecular dynamics

NASA Astrophysics Data System (ADS)

Akıner, Tolga; Mason, Jeremy; Ertürk, Hakan

2017-11-01

The thermal properties of the TIP3P and TIP5P water models are investigated using equilibrium and non-equilibrium molecular dynamics techniques in the presence of solid surfaces. The performance of the non-equilibrium technique for rigid molecules is found to depend significantly on the distribution of atomic degrees of freedom. An improved approach to distribute atomic degrees of freedom is proposed for which the thermal conductivity of the TIP5P model agrees more closely with equilibrium molecular dynamics and experimental results than the existing state of the art.

GFDL's ESM2 global coupled climate-carbon Earth System Models. Part I: physical formulation and baseline simulation characteristics

USGS Publications Warehouse

Dunne, John P.; John, Jasmin G.; Adcroft, Alistair J.; Griffies, Stephen M.; Hallberg, Robert W.; Shevalikova, Elena; Stouffer, Ronald J.; Cooke, William; Dunne, Krista A.; Harrison, Matthew J.; Krasting, John P.; Malyshev, Sergey L.; Milly, P.C.D.; Phillipps, Peter J.; Sentman, Lori A.; Samuels, Bonita L.; Spelman, Michael J.; Winton, Michael; Wittenberg, Andrew T.; Zadeh, Niki

2012-01-01

We describe the physical climate formulation and simulation characteristics of two new global coupled carbon-climate Earth System Models, ESM2M and ESM2G. These models demonstrate similar climate fidelity as the Geophysical Fluid Dynamics Laboratory's previous CM2.1 climate model while incorporating explicit and consistent carbon dynamics. The two models differ exclusively in the physical ocean component; ESM2M uses Modular Ocean Model version 4.1 with vertical pressure layers while ESM2G uses Generalized Ocean Layer Dynamics with a bulk mixed layer and interior isopycnal layers. Differences in the ocean mean state include the thermocline depth being relatively deep in ESM2M and relatively shallow in ESM2G compared to observations. The crucial role of ocean dynamics on climate variability is highlighted in the El Niño-Southern Oscillation being overly strong in ESM2M and overly weak ESM2G relative to observations. Thus, while ESM2G might better represent climate changes relating to: total heat content variability given its lack of long term drift, gyre circulation and ventilation in the North Pacific, tropical Atlantic and Indian Oceans, and depth structure in the overturning and abyssal flows, ESM2M might better represent climate changes relating to: surface circulation given its superior surface temperature, salinity and height patterns, tropical Pacific circulation and variability, and Southern Ocean dynamics. Our overall assessment is that neither model is fundamentally superior to the other, and that both models achieve sufficient fidelity to allow meaningful climate and earth system modeling applications. This affords us the ability to assess the role of ocean configuration on earth system interactions in the context of two state-of-the-art coupled carbon-climate models.

First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111)

PubMed Central

Zhang, Zhaojun; Liu, Tianhui; Fu, Bina; Yang, Xueming; Zhang, Dong H.

2016-01-01

Despite significant progress made in the past decades, it remains extremely challenging to investigate the dissociative chemisorption dynamics of molecular species on surfaces at a full-dimensional quantum mechanical level, in particular for polyatomic-surface reactions. Here we report, to the best of our knowledge, the first full-dimensional quantum dynamics study for the dissociative chemisorption of H2O on rigid Cu(111) with all the nine molecular degrees of freedom fully coupled, based on an accurate full-dimensional potential energy surface. The full-dimensional quantum mechanical reactivity provides the dynamics features with the highest accuracy, revealing that the excitations in vibrational modes of H2O are more efficacious than increasing the translational energy in promoting the reaction. The enhancement of the excitation in asymmetric stretch is the largest, but that of symmetric stretch becomes comparable at very low energies. The full-dimensional characterization also allows the investigation of the validity of previous reduced-dimensional and approximate dynamical models. PMID:27283908

Modelling the effect of urbanization on the transmission of an infectious disease.

PubMed

Zhang, Ping; Atkinson, Peter M

2008-01-01

This paper models the impact of urbanization on infectious disease transmission by integrating a CA land use development model, population projection matrix model and CA epidemic model in S-Plus. The innovative feature of this model lies in both its explicit treatment of spatial land use development, demographic changes, infectious disease transmission and their combination in a dynamic, stochastic model. Heuristically-defined transition rules in cellular automata (CA) were used to capture the processes of both land use development with urban sprawl and infectious disease transmission. A population surface model and dwelling distribution surface were used to bridge the gap between urbanization and infectious disease transmission. A case study is presented involving modelling influenza transmission in Southampton, a dynamically evolving city in the UK. The simulation results for Southampton over a 30-year period show that the pattern of the average number of infection cases per day can depend on land use and demographic changes. The modelling framework presents a useful tool that may be of use in planning applications.

Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis

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

Savara, Aditya Ashi; Daw, C. Stuart; Xiong, Qingang

We propose a wavelet-based scheme that encodes the essential dynamics of discrete microscale surface reactions in a form that can be coupled with continuum macroscale flow simulations with high computational efficiency. This makes it possible to simulate the dynamic behavior of reactor-scale heterogeneous catalysis without requiring detailed concurrent simulations at both the surface and continuum scales using different models. Our scheme is based on the application of wavelet-based surrogate time series that encodes the essential temporal and/or spatial fine-scale dynamics at the catalyst surface. The encoded dynamics are then used to generate statistically equivalent, randomized surrogate time series, which canmore » be linked to the continuum scale simulation. As a result, we illustrate an application of this approach using two different kinetic Monte Carlo simulations with different characteristic behaviors typical for heterogeneous chemical reactions.« less

Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis

DOE PAGES

Savara, Aditya Ashi; Daw, C. Stuart; Xiong, Qingang; ...

2016-01-28

We propose a wavelet-based scheme that encodes the essential dynamics of discrete microscale surface reactions in a form that can be coupled with continuum macroscale flow simulations with high computational efficiency. This makes it possible to simulate the dynamic behavior of reactor-scale heterogeneous catalysis without requiring detailed concurrent simulations at both the surface and continuum scales using different models. Our scheme is based on the application of wavelet-based surrogate time series that encodes the essential temporal and/or spatial fine-scale dynamics at the catalyst surface. The encoded dynamics are then used to generate statistically equivalent, randomized surrogate time series, which canmore » be linked to the continuum scale simulation. As a result, we illustrate an application of this approach using two different kinetic Monte Carlo simulations with different characteristic behaviors typical for heterogeneous chemical reactions.« less

Interaction of monovalent ions with the water liquid-vapor interface - A molecular dynamics study

NASA Technical Reports Server (NTRS)

Wilson, Michael A.; Pohorille, Andrew

1991-01-01

Results of molecular dynamics calculations are presented for a series of ions at infinite dilution near the water liquid-vapor interface. The free energies of ion transfer from the bulk to the interface are discussed, as are the accompanying changes of water structure at the surface and ion mobilities as a function of their proximity to the interface. It is shown that simple dielectric models do not provide an accurate description of ions at the water surface. The results of the study should be useful in the development of better models incorporating the shape and molecular structure of the interface.

A simple hydrodynamic model of tornado-like vortices

NASA Astrophysics Data System (ADS)

Kurgansky, M. V.

2015-05-01

Based on similarity arguments, a simple fluid dynamic model of tornado-like vortices is offered that, with account for "vortex breakdown" at a certain height above the ground, relates the maximal azimuthal velocity in the vortex, reachable near the ground surface, to the convective available potential energy (CAPE) stored in the environmental atmosphere under pre-tornado conditions. The relative proportion of the helicity (kinetic energy) destruction (dissipation) in the "vortex breakdown" zone and, accordingly, within the surface boundary layer beneath the vortex is evaluated. These considerations form the basis of the dynamic-statistical analysis of the relationship between the tornado intensity and the CAPE budget in the surrounding atmosphere.

On the Utilization of Ice Flow Models and Uncertainty Quantification to Interpret the Impact of Surface Radiation Budget Errors on Estimates of Greenland Ice Sheet Surface Mass Balance and Regional Estimates of Mass Balance

NASA Astrophysics Data System (ADS)

Schlegel, N.; Larour, E. Y.; Gardner, A. S.; Lang, C.; Miller, C. E.; van den Broeke, M. R.

2016-12-01

How Greenland ice flow may respond to future increases in surface runoff and to increases in the frequency of extreme melt events is unclear, as it requires detailed comprehension of Greenland surface climate and the ice sheet's sensitivity to associated uncertainties. With established uncertainty quantification tools run within the framework of Ice Sheet System Model (ISSM), we conduct decadal-scale forward modeling experiments to 1) quantify the spatial resolution needed to effectively force distinct components of the surface radiation budget, and subsequently surface mass balance (SMB), in various regions of the ice sheet and 2) determine the dynamic response of Greenland ice flow to variations in components of the net radiation budget. The Glacier Energy and Mass Balance (GEMB) software is a column surface model (1-D) that has recently been embedded as a module within ISSM. Using the ISSM-GEMB framework, we perform sensitivity analyses to determine how perturbations in various components of the surface radiation budget affect model output; these model experiments allow us predict where and on what spatial scale the ice sheet is likely to dynamically respond to changes in these parameters. Preliminary results suggest that SMB should be forced at at least a resolution of 23 km to properly capture dynamic ice response. In addition, Monte-Carlo style sampling analyses reveals that the areas with the largest uncertainty in mass flux are located near the equilibrium line altitude (ELA), upstream of major outlet glaciers in the North and West of the ice sheet. Sensitivity analysis indicates that these areas are also the most vulnerable on the ice sheet to persistent, far-field shifts in SMB, suggesting that continued warming, and upstream shift in the ELA, are likely to result in increased velocities, and consequentially SMB-induced thinning upstream of major outlet glaciers. Here, we extend our investigation to consider various components of the surface radiation budget separately, in order to determine how and where errors in these fields may independently impact ice flow. This work was performed at the California Institute of Technology's Jet Propulsion Laboratory under a contract with the National Aeronautics and Space Administration's Cryosphere and Interdisciplinary Research in Earth Science Programs.

Mathematical and experimental modelling of the dynamic bubble processes occurring in a two-phase cyclonic separation device

NASA Astrophysics Data System (ADS)

Schrage, Dean Stewart

1998-11-01

This dissertation presents a combined mathematical and experimental analysis of the fluid dynamics of a gas- liquid, dispersed-phase cyclonic separation device. The global objective of this research is to develop a simulation model of separation process in order to predict the void fraction field within a cyclonic separation device. The separation process is approximated by analyzing the dynamic motion of many single-bubbles, moving under the influence of the far-field, interacting with physical boundaries and other bubbles. The dynamic motion of the bubble is described by treating the bubble as a point-mass and writing an inertial force balance, equating the force applied to the bubble-point-location to the inertial acceleration of the bubble mass (also applied to the point-location). The forces which are applied to the bubble are determined by an integration of the surface pressure over the bubble. The surface pressure is coupled to the intrinsic motion of the bubble, and is very difficult to obtain exactly. However, under moderate Reynolds number, the wake trailing a bubble is small and the near-field flow field can be approximated as an inviscid flow field. Unconventional potential flow techniques are employed to solve for the surface pressure; the hydrodyamic forces are described as a hydrodynamic mass tensor operating on the bubble acceleration vector. The inviscid flow model is augmented with adjunct forces which describe: drag forces, dynamic lift, far-field pressure forces. The dynamic equations of motion are solved both analytically and numerically for the bubble trajectory in specific flow field examples. A validation of these equations is performed by comparing to an experimentally-derived trajectory of a single- bubble, which is released into a cylindrical Couette flow field (inner cylinder rotating) at varying positions. Finally, a simulation of a cyclonic separation device is performed by extending the single-bubble dynamic model to a multi-bubble ensemble. A simplified model is developed to predict the effects of bubble-interaction. The simulation qualitatively depicts the separation physics encountered in an actual cyclonic separation device, supporting the original tenet that the separation process can be approximated by the collective motions of single- bubbles.

Dynamic Heights in the Great Lakes using OPUS Projects

NASA Astrophysics Data System (ADS)

Roman, D. R.; Li, X.

2015-12-01

The U.S. will be implementing new geometric and vertical reference frames in 2022 to replace the North American Datum of 1983 (NAD 83) and the North American Vertical Datum of 1988 (NAVD 88), respectively. Less emphasized is the fact that a new dynamic height datum will also be defined about the same time to replace the International Great Lakes Datum of 1985 (IGLD 85). IGLD 85 was defined concurrent with NAVD 88 and used the same geopotential values. This paper focuses on the use of an existing tool for determining geometric coordinates and a developing geopotential model as a means of determining dynamic heights. The Online Positioning User Service (OPUS) Projects (OP) is an online tool available from the National Geodetic Survey (NGS) for use in developing geometric coordinates from simultaneous observations at multiple sites during multiple occupations. With observations performed at the water level gauges throughout the Great Lakes, the geometric coordinates of the mean water level surface can be determined. NGS has also developed the xGEOID15B model from satellite, airborne and surface gravity data. Using the input geometric coordinates determined through OP, the geopotential values for the water surface at the water level stations around the Great Lakes were determined using the xGEOID15B model. Comparisons were made between water level sites for each Lake as well as to existing IGLD 85 heights. A principal advantage to this approach is the ability to generate new water level control stations using OP, while maintaining the consistency between orthometric and dynamic heights by using the same gravity field model. Such a process may provide a means for determining dynamic heights for a future Great Lakes Datum.

Noah-MP-Crop: Introducing dynamic crop growth in the Noah-MP land surface model

NASA Astrophysics Data System (ADS)

Liu, Xing; Chen, Fei; Barlage, Michael; Zhou, Guangsheng; Niyogi, Dev

2016-12-01

Croplands are important in land-atmosphere interactions and in the modification of local and regional weather and climate; however, they are poorly represented in the current version of the coupled Weather Research and Forecasting/Noah with multiparameterization (Noah-MP) land surface modeling system. This study introduced dynamic corn (Zea mays) and soybean (Glycine max) growth simulations and field management (e.g., planting date) into Noah-MP and evaluated the enhanced model (Noah-MP-Crop) at field scales using crop biomass data sets, surface heat fluxes, and soil moisture observations. Compared to the generic dynamic vegetation and prescribed-leaf area index (LAI)-driven methods in Noah-MP, the Noah-MP-Crop showed improved performance in simulating leaf area index (LAI) and crop biomass. This model is able to capture the seasonal and annual variability of LAI and to differentiate corn and soybean in peak values of LAI as well as the length of growing seasons. Improved simulations of crop phenology in Noah-MP-Crop led to better surface heat flux simulations, especially in the early period of growing season where current Noah-MP significantly overestimated LAI. The addition of crop yields as model outputs expand the application of Noah-MP-Crop to regional agriculture studies. There are limitations in the use of current growing degree days (GDD) criteria to predict growth stages, and it is necessary to develop a new method that combines GDD with other environmental factors, to more accurately define crop growth stages. The capability introduced in Noah-MP allows further crop-related studies and development.

Dynamics of water droplets detached from porous surfaces of relevance to PEM fuel cells.

PubMed

Theodorakakos, A; Ous, T; Gavaises, M; Nouri, J M; Nikolopoulos, N; Yanagihara, H

2006-08-15

The detachment of liquid droplets from porous material surfaces used with proton exchange membrane (PEM) fuel cells under the influence of a cross-flowing air is investigated computationally and experimentally. CCD images taken on a purpose-built transparent fuel cell have revealed that the water produced within the PEM is forming droplets on the surface of the gas-diffusion layer. These droplets are swept away if the velocity of the flowing air is above a critical value for a given droplet size. Static and dynamic contact angle measurements for three different carbon gas-diffusion layer materials obtained inside a transparent air-channel test model have been used as input to the numerical model; the latter is based on a Navier-Stokes equations flow solver incorporating the volume of fluid (VOF) two-phase flow methodology. Variable contact angle values around the gas-liquid-solid contact-line as well as their dynamic change during the droplet shape deformation process, have allowed estimation of the adhesion force between the liquid droplet and the solid surface and successful prediction of the separation line at which droplets loose their contact from the solid surface under the influence of the air stream flowing around them. Parametric studies highlight the relevant importance of various factors affecting the detachment of the liquid droplets from the solid surface.

Semianalytical Models for the Formation of Disk Galaxies. II. Dark Matter versus Modified Newtonian Dynamics

NASA Astrophysics Data System (ADS)

van den Bosch, Frank C.; Dalcanton, Julianne J.

2000-05-01

We present detailed semianalytical models for the formation of disk galaxies both in a universe dominated by dark matter (DM) and in one for which the force law is given by modified Newtonian dynamics (MOND). We tune the models to fit the observed near-infrared Tully-Fisher (TF) relation and compare numerous predictions of the resulting models with observations. The DM and MOND models are almost indistinguishable. They both yield gas mass fractions and dynamical mass-to-light ratios that are in good agreement with observations. Both models reproduce the narrow relation between global mass-to-light ratio and central surface brightness and reveal a characteristic acceleration, contrary to claims that these relations are not predicted by DM models. Both models require SN feedback in order to reproduce the lack of high surface brightness dwarf galaxies. However, the introduction of feedback to the MOND models steepens the TF relation and increases the scatter, making MOND only marginally consistent with observations. The most serious problem for the DM models is their prediction of steep central rotation curves. However, the DM rotation curves are only slightly steeper than those of MOND and are only marginally inconsistent with the poor resolution data on LSB galaxies.

Quantum theory of laser-stimulated desorption

NASA Technical Reports Server (NTRS)

Slutsky, M. S.; George, T. F.

1978-01-01

A quantum theory of laser-stimulated desorption (LSDE) is presented and critically analyzed. It is shown how LSDE depends on laser-pulse characteristics and surface-lattice dynamics. Predictions of the theory for a Debye model of the lattice dynamics are compared to recent experimental results.

A Tractable Numerical Model for Exploring Nonadiabatic Quantum Dynamics

ERIC Educational Resources Information Center

Camrud, Evan; Turner, Daniel B.

2017-01-01

Numerous computational and spectroscopic studies have demonstrated the decisive role played by nonadiabatic coupling in photochemical reactions. Nonadiabatic coupling drives photochemistry when potential energy surfaces are nearly degenerate at avoided crossings or truly degenerate at unavoided crossings. The dynamics induced by nonadiabatic…

Dynamic sea surface topography from GEOS-3 altimetry - Determination of some dominant parameters

NASA Technical Reports Server (NTRS)

Mather, R. S.; Lerch, F. J.; Rizos, C.; Masters, E. G.; Hirsch, B.

1979-01-01

The second, third and fourth degree zonal harmonics of the quasi-stationary dynamic sea surface topography can be recovered from the GEOS-3 altimetry despite the adverse levels of noise indicated by the crossover discrepancies generated from the best orbits available at the end of 1977 and the GEOS-3 altimetry. Techniques for modelling the global sea surface topography are discussed along with methods for signal recovery in the presence of significant levels of noise. The analysis also provides a means of defining the geocentricity of the system of reference used in preparing the GEOS-3 ephemeris.

Gradual Crossover from Subdiffusion to Normal Diffusion: A Many-Body Effect in Protein Surface Water

NASA Astrophysics Data System (ADS)

Tan, Pan; Liang, Yihao; Xu, Qin; Mamontov, Eugene; Li, Jinglai; Xing, Xiangjun; Hong, Liang

2018-06-01

Dynamics of hydration water is essential for the function of biomacromolecules. Previous studies have demonstrated that water molecules exhibit subdiffusion on the surface of biomacromolecules; yet the microscopic mechanism remains vague. Here, by performing neutron scattering, molecular dynamics simulations, and analytic modeling on hydrated perdeuterated protein powders, we found water molecules jump randomly between trapping sites on protein surfaces, whose waiting times obey a broad distribution, resulting in subdiffusion. Moreover, the subdiffusive exponent gradually increases with observation time towards normal diffusion due to a many-body volume-exclusion effect.

Impact of Sea Surface Salinity on Coupled Dynamics for the Tropical Indo Pacific

NASA Astrophysics Data System (ADS)

Busalacchi, A. J.; Hackert, E. C.

2014-12-01

In this presentation we assess the impact of in situ and satellite sea surface salinity (SSS) observations on seasonal to interannual variability of tropical Indo-Pacific Ocean dynamics as well as on dynamical ENSO forecasts using a Hybrid Coupled Model (HCM) for 1993-2007 (cf., Hackert et al., 2011) and August 2011 until February 2014 (cf., Hackert et al., 2014). The HCM is composed of a primitive equation ocean model coupled with a SVD-based statistical atmospheric model for the tropical Indo-Pacific region. An Ensemble Reduced Order Kalman Filter (EROKF) is used to assimilate observations to constrain dynamics and thermodynamics for initialization of the HCM. Including SSS generally improves NINO3 sea surface temperature anomaly validation. Assimilating SSS gives significant improvement versus just subsurface temperature for all forecast lead times after 5 months. We find that the positive impact of SSS assimilation is brought about by surface freshening in the western Pacific warm pool that leads to increased barrier layer thickness (BLT) and shallower mixed layer depths. Thus, in the west the net effect of assimilating SSS is to increase stability and reduce mixing, which concentrates the wind impact of ENSO coupling. Specifically, the main benefit of SSS assimilation for 1993-2007 comes from improvement to the Spring Predictability Barrier (SPB) period. In the east, the impact of Aquarius satellite SSS is to induce more cooling in the NINO3 region as a result of being relatively more salty than in situ SSS in the eastern Pacific leading to increased mixing and entrainment. This, in turn, sets up an enhanced west to east SST gradient and intensified Bjerknes coupling. For the 2011-2014 period, consensus coupled model forecasts compiled by the IRI tend to erroneously predict NINO3 warming; SSS assimilation corrects this defect. Finally, we plan to update our analysis and report on the dynamical impact of including Aquarius SSS for the most-recent, ongoing 2014 El Niño in the tropical Pacific and compare these results with other available coupled models that do not yet include satellite SSS.

A theory for El Nino and the Southern Oscillation

NASA Technical Reports Server (NTRS)

Cane, M. A.; Zebiak, S. E.

1985-01-01

A coupled atmosphere-ocean model is presented for El Nino and the Southern Oscillation that reproduces its major features, including its recurrence at irregular intervals. The interannual El Nino-Southern Oscillation cycle is maintained by deterministic interactions in the tropical Pacific region. Ocean dynamics alter sea-surface temperature, changing the atmospheric heating; the resulting changes in surface wind alter the ocean dynamics. Annually varying mean conditions largely determine the spatial pattern and temporal evolution of El Nino events.

Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X 1Σ+) → CO2(tilde X{}^1Σ _g^ +)

NASA Astrophysics Data System (ADS)

Jasper, Ahren W.; Dawes, Richard

2013-10-01

The lowest-energy singlet (1 1A') and two lowest-energy triplet (1 3A' and 1 3A″) electronic states of CO2 are characterized using dynamically weighted multireference configuration interaction (dw-MRCI+Q) electronic structure theory calculations extrapolated to the complete basis set (CBS) limit. Global analytic representations of the dw-MRCI+Q/CBS singlet and triplet surfaces and of their CASSCF/aug-cc-pVQZ spin-orbit coupling surfaces are obtained via the interpolated moving least squares (IMLS) semiautomated surface fitting method. The spin-forbidden kinetics of the title reaction is calculated using the coupled IMLS surfaces and coherent switches with decay of mixing non-Born-Oppenheimer molecular dynamics. The calculated spin-forbidden association rate coefficient (corresponding to the high pressure limit of the rate coefficient) is 7-35 times larger at 1000-5000 K than the rate coefficient used in many detailed chemical models of combustion. A dynamical analysis of the multistate trajectories is presented. The trajectory calculations reveal direct (nonstatistical) and indirect (statistical) spin-forbidden reaction mechanisms and may be used to test the suitability of transition-state-theory-like statistical methods for spin-forbidden kinetics. Specifically, we consider the appropriateness of the "double passage" approximation, of assuming statistical distributions of seam crossings, and of applications of the unified statistical model for spin-forbidden reactions.

GLOBAL GRIDS FROM RECURSIVE DIAMOND SUBDIVISIONS OF THE SURFACE OF AN OCTAHEDRON OR ICOSAHEDRON

EPA Science Inventory

In recent years a number of methods have been developed for subdividing the surface of the earth to meet the needs of applications in dynamic modeling, survey sampling, and information storage and display. One set of methods uses the surfaces of Platonic solids, or regular polyhe...

Protein–Mineral Interactions: Molecular Dynamics Simulations Capture Importance of Variations in Mineral Surface Composition and Structure

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

Andersen, Amity; Reardon, Patrick N.; Chacon, Stephany S.

Molecular dynamics simulations, conventional and metadynamics, were performed to determine the interaction of model protein Gb1 over kaolinite (001), Na+-montmorillonite (001), Ca2+-montmorillonite (001), goethite (100), and Na+-birnessite (001) mineral surfaces. Gb1, a small (56 residue) protein with a well-characterized solution-state nuclear magnetic resonance (NMR) structure and having α-helix, four-fold β-sheet, and hydrophobic core features, is used as a model protein to study protein soil mineral interactions and gain insights on structural changes and potential degradation of protein. From our simulations, we observe little change to the hydrated Gb1 structure over the kaolinite, montmorillonite, and goethite surfaces relative to its solvatedmore » structure without these mineral surfaces present. Over the Na+-birnessite basal surface, however, the Gb1 structure is highly disturbed as a result of interaction with this birnessite surface. Unraveling of the Gb1 β-sheet at specific turns and a partial unraveling of the α-helix is observed over birnessite, which suggests specific vulnerable residue sites for oxidation or hydrolysis possibly leading to fragmentation.« less

Understanding the barriers to crystal growth: dynamical simulation of the dissolution and growth of urea from aqueous solution.

PubMed

Piana, Stefano; Gale, Julian D

2005-02-16

Both the dissolution and growth of a molecular crystalline material, urea, has been studied using dynamical atomistic simulation. The kinetic steps of dissolution and growth are clearly identified, and the activation energies for each possible step are calculated. Our molecular dynamics simulations indicate that crystal growth on the [001] face is characterized by a nucleation and growth mechanism. Nucleation on the [001] urea crystal face is predicted to occur at a very high rate, followed by rapid propagation of the steps. The rate-limiting step for crystallization is actually found to be the removal of surface defects, rather than the initial formation of the next surface layer. Through kinetic Monte Carlo modeling of the surface growth, it is found that this crystal face evolves via a rough surface topography, rather than a clean layer-by-layer mechanism.

Molecular dynamics and Monte Carlo simulations resolve apparent diffusion rate differences for proteins confined in nanochannels

DOE PAGES

Tringe, J. W.; Ileri, N.; Levie, H. W.; ...

2015-08-01

We use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenomena in nanochannels, explaining four orders of magnitude difference in wheat germ agglutinin (WGA) protein diffusion rates observed by fluorescence correlation spectroscopy (FCS) and by direct imaging of fluorescently-labeled proteins. We first use the ESPResSo Molecular Dynamics code to estimate the surface transport distance for neutral and charged proteins. We then employ a Monte Carlo model to calculate the paths of protein molecules on surfaces and in the bulk liquid transport medium. Our results show that the transport characteristics depend strongly on the degree of molecular surface coverage.more » Atomic force microscope characterization of surfaces exposed to WGA proteins for 1000 s show large protein aggregates consistent with the predicted coverage. These calculations and experiments provide useful insight into the details of molecular motion in confined geometries.« less

Modeling the effect of dynamic surfaces on membrane penetration

NASA Astrophysics Data System (ADS)

van Lehn, Reid; Alexander-Katz, Alfredo

2011-03-01

The development of nanoscale materials for targeted drug delivery is an important current pursuit in materials science. One task of drug carriers is to release therapeutic agents within cells by bypassing the cell membrane to maximize the effectiveness of their payload and minimize bodily exposure. In this work, we use coarse-grained simulations to study nanoparticles (NPs) grafted with hydrophobic and hydrophilic ligands that rearrange in response to the amphiphilic lipid bilayer. We demonstrate that this dynamic surface permits the NP to spontaneously penetrate to the bilayer midplane when the surface ligands are near an order-disorder transition. We believe that this work will lead to the design of new drug carriers capable of non-specifically accessing cell interiors based solely on their dynamic surface properties. Our work is motivated by existing nanoscale systems such as micelles, or NPs grafted with highly mobile ligands or polymer brushes.

Sensitivity properties of a biosphere model based on BATS and a statistical-dynamical climate model

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

Zhang, T.

A biosphere model based on the Biosphere-Atmosphere Transfer Scheme (BATS) and the Saltzman-Vernekar (SV) statistical-dynamical climate model is developed. Some equations of BATS are adopted either intact or with modifications, some are conceptually modified, and still others are replaced with equations of the SV model. The model is designed so that it can be run independently as long as the parameters related to the physiology and physiognomy of the vegetation, the atmospheric conditions, solar radiation, and soil conditions are given. With this stand-alone biosphere model, a series of sensitivity investigations, particularly the model sensitivity to fractional area of vegetation cover,more » soil surface water availability, and solar radiation for different types of vegetation, were conducted as a first step. These numerical experiments indicate that the presence of a vegetation cover greatly enhances the exchanges of momentum, water vapor, and energy between the atmosphere and the surface of the earth. An interesting result is that a dense and thick vegetation cover tends to serve as an environment conditioner or, more specifically, a thermostat and a humidistat, since the soil surface temperature, foliage temperature, and temperature and vapor pressure of air within the foliage are practically insensitive to variation of soil surface water availability and even solar radiation within a wide range. An attempt is also made to simulate the gradual deterioration of environment accompanying gradual degradation of a tropical forest to grasslands. Comparison with field data shows that this model can realistically simulate the land surface processes involving biospheric variations. 46 refs., 10 figs., 6 tabs.« less

Sensitivity properties of a biosphere model based on BATS and a statistical-dynamical climate model

NASA Technical Reports Server (NTRS)

Zhang, Taiping

1994-01-01

A biosphere model based on the Biosphere-Atmosphere Transfer Scheme (BATS) and the Saltzman-Vernekar (SV) statistical-dynamical climate model is developed. Some equations of BATS are adopted either intact or with modifications, some are conceptually modified, and still others are replaced with equations of the SV model. The model is designed so that it can be run independently as long as the parameters related to the physiology and physiognomy of the vegetation, the atmospheric conditions, solar radiation, and soil conditions are given. With this stand-alone biosphere model, a series of sensitivity investigations, particularly the model sensitivity to fractional area of vegetation cover, soil surface water availability, and solar radiation for different types of vegetation, were conducted as a first step. These numerical experiments indicate that the presence of a vegetation cover greatly enhances the exchanges of momentum, water vapor, and energy between the atmosphere and the surface of the earth. An interesting result is that a dense and thick vegetation cover tends to serve as an environment conditioner or, more specifically, a thermostat and a humidistat, since the soil surface temperature, foliage temperature, and temperature and vapor pressure of air within the foliage are practically insensitive to variation of soil surface water availability and even solar radiation within a wide range. An attempt is also made to simulate the gradual deterioration of environment accompanying gradual degradation of a tropical forest to grasslands. Comparison with field data shows that this model can realistically simulate the land surface processes involving biospheric variations.

Dynamics of nanoparticle-protein corona complex formation: analytical results from population balance equations.

PubMed

Darabi Sahneh, Faryad; Scoglio, Caterina; Riviere, Jim

2013-01-01

Nanoparticle-protein corona complex formation involves absorption of protein molecules onto nanoparticle surfaces in a physiological environment. Understanding the corona formation process is crucial in predicting nanoparticle behavior in biological systems, including applications of nanotoxicology and development of nano drug delivery platforms. This paper extends the modeling work in to derive a mathematical model describing the dynamics of nanoparticle corona complex formation from population balance equations. We apply nonlinear dynamics techniques to derive analytical results for the composition of nanoparticle-protein corona complex, and validate our results through numerical simulations. The model presented in this paper exhibits two phases of corona complex dynamics. In the first phase, proteins rapidly bind to the free surface of nanoparticles, leading to a metastable composition. During the second phase, continuous association and dissociation of protein molecules with nanoparticles slowly changes the composition of the corona complex. Given sufficient time, composition of the corona complex reaches an equilibrium state of stable composition. We find analytical approximate formulae for metastable and stable compositions of corona complex. Our formulae are very well-structured to clearly identify important parameters determining corona composition. The dynamics of biocorona formation constitute vital aspect of interactions between nanoparticles and living organisms. Our results further understanding of these dynamics through quantitation of experimental conditions, modeling results for in vitro systems to better predict behavior for in vivo systems. One potential application would involve a single cell culture medium related to a complex protein medium, such as blood or tissue fluid.

Characterizing mercury concentrations and fluxes in a Coastal Plain watershed: Insights from dynamic modeling and data

USGS Publications Warehouse

Golden, H.E.; Knightes, C.D.; Conrads, P.A.; Davis, G.M.; Feaster, T.D.; Journey, C.A.; Benedict, S.T.; Brigham, M.E.; Bradley, P.M.

2012-01-01

Mercury (Hg) is one of the leading water quality concerns in surface waters of the United States. Although watershed-scale Hg cycling research has increased in the past two decades, advances in modeling watershed Hg processes in diverse physiographic regions, spatial scales, and land cover types are needed. The goal of this study was to assess Hg cycling in a Coastal Plain system using concentrations and fluxes estimated by multiple watershed-scale models with distinct mathematical frameworks reflecting different system dynamics. We simulated total mercury (HgT, the sum of filtered and particulate forms) concentrations and fluxes from a Coastal Plain watershed (McTier Creek) using three watershed Hg models and an empirical load model. Model output was compared with observed in-stream HgT. We found that shallow subsurface flow is a potentially important transport mechanism of particulate HgT during periods when connectivity between the uplands and surface waters is maximized. Other processes (e.g., stream bank erosion, sediment re-suspension) may increase particulate HgT in the water column. Simulations and data suggest that variable source area (VSA) flow and lack of rainfall interactions with surface soil horizons result in increased dissolved HgT concentrations unrelated to DOC mobilization following precipitation events. Although flushing of DOC-HgT complexes from surface soils can also occur during this period, DOC-complexed HgT becomes more important during base flow conditions. TOPLOAD simulations highlight saturated subsurface flow as a primary driver of daily HgT loadings, but shallow subsurface flow is important for HgT loads during high-flow events. Results suggest limited seasonal trends in HgT dynamics.

Characterizing mercury concentrations and fluxes in a Coastal Plain watershed: Insights from dynamic modeling and data

USGS Publications Warehouse

Golden, H.E.; Knightes, C.D.; Conrads, P.A.; Davis, G.M.; Feaster, T.D.; Journey, C.A.; Benedict, S.T.; Brigham, M.E.; Bradley, P.M.

2012-01-01

Mercury (Hg) is one of the leading water quality concerns in surface waters of the United States. Although watershed-scale Hg cycling research has increased in the past two decades, advances in modeling watershed Hg processes in diverse physiographic regions, spatial scales, and land cover types are needed. The goal of this study was to assess Hg cycling in a Coastal Plain system using concentrations and fluxes estimated by multiple watershed-scale models with distinct mathematical frameworks reflecting different system dynamics. We simulated total mercury (Hg T, the sum of filtered and particulate forms) concentrations and fluxes from a Coastal Plain watershed (McTier Creek) using three watershed Hg models and an empirical load model. Model output was compared with observed in-stream Hg T. We found that shallow subsurface flow is a potentially important transport mechanism of particulate Hg T during periods when connectivity between the uplands and surface waters is maximized. Other processes (e.g., stream bank erosion, sediment re-suspension) may increase particulate Hg T in the water column. Simulations and data suggest that variable source area (VSA) flow and lack of rainfall interactions with surface soil horizons result in increased dissolved Hg T concentrations unrelated to DOC mobilization following precipitation events. Although flushing of DOC-Hg T complexes from surface soils can also occur during this period, DOC-complexed Hg T becomes more important during base flow conditions. TOPLOAD simulations highlight saturated subsurface flow as a primary driver of daily Hg T loadings, but shallow subsurface flow is important for Hg T loads during high-flow events. Results suggest limited seasonal trends in Hg T dynamics. Copyright 2012 by the American Geophysical Union.

Surface chemistry characterization of hydrodesulfurization and methanol synthesis model nanocatalysts

NASA Astrophysics Data System (ADS)

Komarneni, Mallikharjuna Rao

Surface science investigations of model catalysts have contributed significantly to heterogeneous catalysis over the past several decades. The unique properties of nanomaterials are being exploited in catalysis for the development of highly active and selective catalysts. Surface science investigations of model catalysts such as inorganic fullerene-like (IF) nanoparticles (NP), inorganic nanotubes (INT), and the oxide-supported nanoclusters are included in this dissertation. Thermal desorption spectroscopy and molecular beam scattering were respectively utilized to study the adsorption kinetics and dynamics of gas phase molecules on catalyst surfaces. In addition, ambient pressure kinetics experiments were performed to characterize the catalytic activity of hydrodesulfurization (HDS) nanocatalysts. The nanocatalysts were characterized with a variety of techniques, including Auger electron spectroscopy, x-ray photoelectron spectroscopy, electron microscopy, and x-ray diffraction. The adsorption kinetics studies of thiophene on novel HDS catalysts provided the first evidence for the presence of different adsorption sites on INT-WS2. Additionally, the adsorption sites on IF-MoS2 NP and silica-supported Mo clusters (Mo/silica) were characterized. Furthermore, the C-S bond activation energy of thiophene on Mo/silica was determined. These studies finally led to the fabrication of Ni/Co coated INT-WS2, which showed good catalytic activity towards HDS of thiophene. The studies of methanol synthesis catalysts include the adsorption kinetics and dynamics studies of CO and CO2 on Cu/silica and silica-supported EBL-fabricated Cu/CuOx nanoclusters. The adsorption dynamics of CO on Cu/silica are modeled within the frame work of the capture zone model (CZM), and the active sites of the silica-supported Au/Cu catalysts are successfully mapped. Studies on EBL model catalysts identify the rims of the CuOx nanoclusters as catalytically active sites. This observation has implications for new methanol catalyst design.

Soil Water Balance and Vegetation Dynamics in two Water-limited Mediterranean Ecosystem on Sardinia under past and future climate change

NASA Astrophysics Data System (ADS)

Corona, R.; Montaldo, N.; Albertson, J. D.

2016-12-01

Water limited conditions strongly impacts soil and vegetation dynamics in Mediterranean regions, which are commonly heterogeneous ecosystems, characterized by inter-annual rainfall variability, topography variability and contrasting plant functional types (PFTs) competing for water use. Historical human influences (e.g., deforestation, urbanization) further altered these ecosystems. Sardinia island is a representative region of Mediterranean ecosystems. It is low urbanized except some plan areas close to the main cities where main agricultural activities are concentrated. Two contrasting case study sites are within the Flumendosa river basin (1700 km2). The first site is a typical grassland on an alluvial plan valley (soil depth > 2m) while the second is a patchy mixture of Mediterranean vegetation species (mainly wild olive trees and C3 herbaceous) that grow in a soil bounded from below by a rocky layer of basalt, partially fractured (soil depth 15 - 40 cm). In both sites land-surface fluxes and CO2 fluxes are estimated by the eddy correlation technique while soil moisture was continuously estimated with water content reflectometers, and periodically leaf area index (LAI) was estimated. The following objectives are addressed:1) pointing out the dynamics of land surface fluxes, soil moisture, CO2 and vegetation cover for two contrasting water-limited ecosystems; 2) assess the impact of the soil depth and type on the CO2 and water balance dynamics; 3) evaluate the impact of past and future climate change scenarios on the two contrasting ecosystems. For reaching the objectives an ecohydrologic model that couples a vegetation dynamic model (VDM), and a 3-component (bare soil, grass and woody vegetation) land surface model (LSM) has been used. Historical meteorological data are available from 1922 and hydro-meteorological scenarios are then generated using a weather generator. The VDM-LSM model predict soil water balance and vegetation dynamics for the generated hydrometeorological scenarios in the two contrasting ecosystems. Results demonstrate that vegetation dynamics are influenced by the inter-annual variability of atmospheric forcing, with vegetation density changing significantly according to seasonal rainfall amount. At the same time the vegetation dynamics affect the soil water balance.

Numerical simulation of the world ocean circulation

NASA Technical Reports Server (NTRS)

Takano, K.; Mintz, Y.; Han, Y. J.

1973-01-01

A multi-level model, based on the primitive equations, is developed for simulating the temperature and velocity fields produced in the world ocean by differential heating and surface wind stress. The model ocean has constant depth, free slip at the lower boundary, and neglects momentum advection; so that there is no energy exchange between the barotropic and baroclinic components of the motion, although the former influences the latter through temperature advection. The ocean model was designed to be coupled to the UCLA atmospheric general circulation model, for the study of the dynamics of climate and climate changes. But here, the model is tested by prescribing the observed seasonally varying surface wind stress and the incident solar radiation, the surface air temperature and humidity, cloudiness and the surface wind speed, which, together with the predicted ocean surface temperature, determine the surface flux of radiant energy, sensible heat and latent heat.

Elucidating Dynamical Processes Relevant to Flow Encountering Abrupt Topography (FLEAT)

DTIC Science & Technology

2015-09-30

Encountering Abrupt Topography (FLEAT) Bo Qiu Dept of Oceanography, University of Hawaii at Manoa 1000 Pope Rd. Honolulu, HI 96822 phone: (808) 956...c) to explore relevant dynamics by using both simplified models and OGCM output with realistic topography and surface boundary conditions...scale abyssal circulation, we propose to use the Hallberg Isopycnal Model (HIM). The HIM allows sloping isopycnals to interact with bottom topography

Lattice Boltzmann simulations of multiple-droplet interaction dynamics.

PubMed

Zhou, Wenchao; Loney, Drew; Fedorov, Andrei G; Degertekin, F Levent; Rosen, David W

2014-03-01

A lattice Boltzmann (LB) formulation, which is consistent with the phase-field model for two-phase incompressible fluid, is proposed to model the interface dynamics of droplet impingement. The interparticle force is derived by comparing the macroscopic transport equations recovered from LB equations with the governing equations of the continuous phase-field model. The inconsistency between the existing LB implementations and the phase-field model in calculating the relaxation time at the phase interface is identified and an approximation is proposed to ensure the consistency with the phase-field model. It is also shown that the commonly used equilibrium velocity boundary for the binary fluid LB scheme does not conserve momentum at the wall boundary and a modified scheme is developed to ensure the momentum conservation at the boundary. In addition, a geometric formulation of the wetting boundary condition is proposed to replace the popular surface energy formulation and results show that the geometric approach enforces the prescribed contact angle better than the surface energy formulation in both static and dynamic wetting. The proposed LB formulation is applied to simulating droplet impingement dynamics in three dimensions and results are compared to those obtained with the continuous phase-field model, the LB simulations reported in the literature, and experimental data from the literature. The results show that the proposed LB simulation approach yields not only a significant speed improvement over the phase-field model in simulating droplet impingement dynamics on a submillimeter length scale, but also better accuracy than both the phase-field model and the previously reported LB techniques when compared to experimental data. Upon validation, the proposed LB modeling methodology is applied to the study of multiple-droplet impingement and interactions in three dimensions, which demonstrates its powerful capability of simulating extremely complex interface phenomena.

Dynamic Heights in the Great Lakes at Different Epochs

NASA Astrophysics Data System (ADS)

Roman, D. R.

2016-12-01

Vertical control in the Great Lakes region is currently defined by the International Great Lakes Datum of 1985 (IGLD 85) in the form of dynamic heights. Starting in 2025, dynamic heights will be defined through GNSS-derived geometric coordinates and a geopotential model. This paper explores the behavior of an existing geopotential model at different epochs when the Great Lakes were at significantly different (meter-level) geopotential surfaces. Water surfaces were examined in 2015 and 2010 at six sites on Lakes Superior and Lake Erie (three on each Lake). These sites have collocated a Continuously Operating Reference Station (CORS) and a Water Level Sensor (WLS). The offset between the antenna phase center for the CORS and the WLS datum are known at each site. The WLS then measures the distance from its datum to the Lake surface via an open well. Thus it is possible to determine the height above an ellipsoid datum at these sites as long as both the CORS and WLS are operational. The geometric coordinates are then used to estimate the geopotential value from the xGEOID16B model. This accomplished in two steps. To provide an improved reference model, EGM2008 was spectrally enhanced using observations from the GOCE satellite gravity mission and aerogravity from the Gravity for the Redefinition of the American Vertical Datum (GRAV-D) Project. This enhanced model, xGEOID16B_Ref, is still only a five arcminute resolution model (d/o 2160), but resolves dynamic heights at about 2 cm on Lake Superior for December 2015. The reference model was primarily developed to determine a one arcminute geoid height grid, xGEOID16B, available on the NGS website. This geoid height model was used to iteratively develop improved geopotential value for each of the site locations, which then improved comparisons to the cm-level. Comparisons were then made at the 2010 epoch for these same locations to determine if the performance of the geopotential model was consistent.

Calculation of surface potentials at the silica–water interface using molecular dynamics: Challenges and opportunities

NASA Astrophysics Data System (ADS)

Lowe, Benjamin M.; Skylaris, Chris-Kriton; Green, Nicolas G.; Shibuta, Yasushi; Sakata, Toshiya

2018-04-01

Continuum-based methods are important in calculating electrostatic properties of interfacial systems such as the electric field and surface potential but are incapable of providing sufficient insight into a range of fundamentally and technologically important phenomena which occur at atomistic length-scales. In this work a molecular dynamics methodology is presented for interfacial electric field and potential calculations. The silica–water interface was chosen as an example system, which is highly relevant for understanding the response of field-effect transistors sensors (FET sensors). Detailed validation work is presented, followed by the simulated surface charge/surface potential relationship. This showed good agreement with experiment at low surface charge density but at high surface charge density the results highlighted challenges presented by an atomistic definition of the surface potential. This methodology will be used to investigate the effect of surface morphology and biomolecule addition; both factors which are challenging using conventional continuum models.

Dynamic effects of root system architecture improve root water uptake in 1-D process-based soil-root hydrodynamics

NASA Astrophysics Data System (ADS)

Bouda, Martin; Saiers, James E.

2017-12-01

Root system architecture (RSA) can significantly affect plant access to water, total transpiration, as well as its partitioning by soil depth, with implications for surface heat, water, and carbon budgets. Despite recent advances in land surface model (LSM) descriptions of plant hydraulics, descriptions of RSA have not been included because of their three-dimensional complexity, which makes them generally too computationally costly. Here we demonstrate a new, process-based 1D layered model that captures the dynamic shifts in water potential gradients of 3D RSA under different soil moisture conditions: the RSA stencil. Using root systems calibrated to the rooting profiles of four plant functional types (PFT) of the Community Land Model, we show that the RSA stencil predicts plant water potentials within 2% to the outputs of a full 3D model, under the same assumptions on soil moisture heterogeneity, despite its trivial computational cost, resulting in improved predictions of water uptake and soil moisture compared to a model without RSA in a transient simulation. Our results suggest that LSM predictions of soil moisture dynamics and dependent variables can be improved by the implementation of this model, calibrated for individual PFTs using field observations.

Modeling of adsorption dynamics at air-liquid interfaces using statistical rate theory (SRT).

PubMed

Biswas, M E; Chatzis, I; Ioannidis, M A; Chen, P

2005-06-01

A large number of natural and technological processes involve mass transfer at interfaces. Interfacial properties, e.g., adsorption, play a key role in such applications as wetting, foaming, coating, and stabilizing of liquid films. The mechanistic understanding of surface adsorption often assumes molecular diffusion in the bulk liquid and subsequent adsorption at the interface. Diffusion is well described by Fick's law, while adsorption kinetics is less understood and is commonly described using Langmuir-type empirical equations. In this study, a general theoretical model for adsorption kinetics/dynamics at the air-liquid interface is developed; in particular, a new kinetic equation based on the statistical rate theory (SRT) is derived. Similar to many reported kinetic equations, the new kinetic equation also involves a number of parameters, but all these parameters are theoretically obtainable. In the present model, the adsorption dynamics is governed by three dimensionless numbers: psi (ratio of adsorption thickness to diffusion length), lambda (ratio of square of the adsorption thickness to the ratio of adsorption to desorption rate constant), and Nk (ratio of the adsorption rate constant to the product of diffusion coefficient and bulk concentration). Numerical simulations for surface adsorption using the proposed model are carried out and verified. The difference in surface adsorption between the general and the diffusion controlled model is estimated and presented graphically as contours of deviation. Three different regions of adsorption dynamics are identified: diffusion controlled (deviation less than 10%), mixed diffusion and transfer controlled (deviation in the range of 10-90%), and transfer controlled (deviation more than 90%). These three different modes predominantly depend on the value of Nk. The corresponding ranges of Nk for the studied values of psi (10(-2)

A Finite-Rate-Catalytic Model For Hypersonic Flows Informed By Molecular Dynamics

NASA Astrophysics Data System (ADS)

Schwartzentruber, T. E.; Valentini, P.; Norman, P.; Sorensen, C.

2011-05-01

The implementation of a finite-rate catalytic (FRC) wall boundary condition within a general 3D unstructured CFD solver is described. A set of one-step gas-surface chemical equations and atomistic parameters that deter- mine the reaction rates must be prescribed as input to the model. The chemical rate equations are solved at each wall face in the CFD simulation and result in a net production of species at the wall. In order for a finite- rate gas-surface reaction model to be consistent at equilibrium, it is determined that not all forward and back- ward rates can be specified arbitrarily. Provided that the forward rates for each surface recombination are as- signed, the backward rates must be determined using equilibrium constants that are consistent with the gas- phase chemistry model and thermodynamics. Reactive molecular dynamics (MD) simulations are performed us- ing the ReaxFFSiO potential to investigate oxygen-silica interactions. β-quartz and amorphous SiO2 surfaces are accommodated to a high temperature gas via MD simulation and reach a steady-state surface coverage. In addition to stable surface reconstructions a number of active sites are observed on which recombination occurs. Single collision MD simulations are performed where gas-phase oxygen atoms interact with the most dominant active site. Probabilities of recombination are found to have an exponential trend with gas-surface system temperature. The MD simulations are used to determine the activation energy for Eley-Rideal recombination of oxygen on a specific silica active site which is an important input parameter for the FRC model.

Constraining East Antarctic mass trends using a Bayesian inference approach

NASA Astrophysics Data System (ADS)

Martin-Español, Alba; Bamber, Jonathan L.

2016-04-01

East Antarctica is an order of magnitude larger than its western neighbour and the Greenland ice sheet. It has the greatest potential to contribute to sea level rise of any source, including non-glacial contributors. It is, however, the most challenging ice mass to constrain because of a range of factors including the relative paucity of in-situ observations and the poor signal to noise ratio of Earth Observation data such as satellite altimetry and gravimetry. A recent study using satellite radar and laser altimetry (Zwally et al. 2015) concluded that the East Antarctic Ice Sheet (EAIS) had been accumulating mass at a rate of 136±28 Gt/yr for the period 2003-08. Here, we use a Bayesian hierarchical model, which has been tested on, and applied to, the whole of Antarctica, to investigate the impact of different assumptions regarding the origin of elevation changes of the EAIS. We combined GRACE, satellite laser and radar altimeter data and GPS measurements to solve simultaneously for surface processes (primarily surface mass balance, SMB), ice dynamics and glacio-isostatic adjustment over the period 2003-13. The hierarchical model partitions mass trends between SMB and ice dynamics based on physical principles and measures of statistical likelihood. Without imposing the division between these processes, the model apportions about a third of the mass trend to ice dynamics, +18 Gt/yr, and two thirds, +39 Gt/yr, to SMB. The total mass trend for that period for the EAIS was 57±20 Gt/yr. Over the period 2003-08, we obtain an ice dynamic trend of 12 Gt/yr and a SMB trend of 15 Gt/yr, with a total mass trend of 27 Gt/yr. We then imposed the condition that the surface mass balance is tightly constrained by the regional climate model RACMO2.3 and allowed height changes due to ice dynamics to occur in areas of low surface velocities (<10 m/yr) , such as those in the interior of East Antarctica (a similar condition as used in Zwally 2015). The model must find a solution that satisfies all the input data, given these constraints. By imposing these conditions, over the period 2003-13 we obtained a mass gain due to ice dynamics of 103±15 Gt/yr but this was offset by a negative trend in SMB of 47 Gt/yr, resulting in an overall positive trend of 56±15 Gt/yr. Over 2003-08, the ice dynamics trend is 96 Gt/yr, offset by a strong negative SMB trend of -81 Gt/yr, with a total mass trend of 15±13Gt/yr. Even after relaxing the ice dynamics constraint over East Antarctica, we are unable to reproduce the large positive trend obtained in Zwally2015. We conclude that this result is inconsistent with the combined observations, irrespective of any assumption made about the density of surface elevation changes.

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

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

Sitaraman, Hariswaran; Moreno, Gilberto; Narumanchi, Sreekant V

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. Simulationsmore » 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.« less

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

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

Sitaraman, Hariswaran; Moreno, Gilberto; Narumanchi, Sreekant V

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. Simulationsmore » 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.« less

Pairwise Force Smoothed Particle Hydrodynamics model for multiphase flow: Surface tension and contact line dynamics

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

Tartakovsky, Alexandre M.; Panchenko, Alexander

2016-01-01

We present a novel formulation of the Pairwise Force Smoothed Particle Hydrodynamics Model (PF-SPH) and use it to simulate two- and three-phase flows in bounded domains. In the PF-SPH model, the Navier-Stokes equations are discretized with the Smoothed Particle Hydrodynamics (SPH) method and the Young-Laplace boundary condition at the fluid-fluid interface and the Young boundary condition at the fluid-fluid-solid interface are replaced with pairwise forces added into the Navier-Stokes equations. We derive a relationship between the parameters in the pairwise forces and the surface tension and static contact angle. Next, we demonstrate the accuracy of the model under static andmore » dynamic conditions. Finally, to demonstrate the capabilities and robustness of the model we use it to simulate flow of three fluids in a porous material.« less

Dynamic root distributions in ecohydrological modeling: A case study at Walnut Gulch Experimental Watershed

NASA Astrophysics Data System (ADS)

Sivandran, Gajan; Bras, Rafael L.

2013-06-01

Arid regions are characterized by high variability in the arrival of rainfall, and species found in these areas have adapted mechanisms to ensure the capture of this scarce resource. In particular, the rooting strategies employed by vegetation can be critical to their survival. However, land surface models currently prescribe rooting profiles as a function of only the plant functional type of interest with no consideration for the soil texture or rainfall regime of the region being modeled. Additionally, these models do not incorporate the ability of vegetation to dynamically alter their rooting strategies in response to transient changes in environmental forcings or competition from other plant species and therefore tend to underestimate the resilience of these ecosystems. To address the simplicity of the current representation of roots in land surface models, a new dynamic rooting scheme was incorporated into the framework of the distributed ecohydrological model tRIBS+VEGGIE. The new scheme optimizes the allocation of carbon to the root zone to reduce the perceived stress of the vegetation, so that root profiles evolve based upon local climate and soil conditions. The ability of the new scheme to capture the complex dynamics of natural systems was evaluated by comparisons to hourly timescale energy flux, soil moisture, and vegetation growth observations from the Walnut Gulch Experimental Watershed, Arizona. Robust agreement was found between the model and observations, providing confidence that the improved model is able to capture the multidirectional interactions between climate, soil, and vegetation at this site.

Developing, mechanizing and testing of a digital active flutter suppression system for a modified B-52 wind-tunnel model

NASA Technical Reports Server (NTRS)

Matthew, J. R.

1980-01-01

A digital flutter suppression system was developed and mechanized for a significantly modified version of the 1/30-scale B-52E aeroelastic wind tunnel model. A model configuration was identified that produced symmetric and antisymmetric flutter modes that occur at 2873N/sq m (60 psf) dynamic pressure with violent onset. The flutter suppression system, using one trailing edge control surface and the accelerometers on each wing, extended the flutter dynamic pressure of the model beyond the design limit of 4788N/sq m (100 psf). The hardware and software required to implement the flutter suppression system were designed and mechanized using digital computers in a fail-operate configuration. The model equipped with the system was tested in the Transonic Dynamics Tunnel at NASA Langley Research Center and results showed the flutter dynamic pressure of the model was extended beyond 4884N/sq m (102 psf).

Effect of work of adhesion on deep bed filtration process

NASA Astrophysics Data System (ADS)

Przekop, Rafał; Jackiewicz, Anna; WoŻniak, Michał; Gradoń, Leon

2016-06-01

Collection of aerosol particles in the particular steps of the technology of their production, and purification of the air at the workplace and atmospheric environment, requires the efficient method of separation of particulate matter from the carrier gas. There are many papers published in last few years in which the deposition of particles on fibrous collectors is considered, Most of them assume that collisions between particle and collector surface is 100% effective. In this work we study the influence of particles and fiber properties on the deposition efficiency. For the purpose of this work the lattice-Boltzmann model describes fluid dynamics, while the solid particle motion is modeled by the Brownian dynamics. The interactions between particles and surface are modelled using energy balanced oscillatory model. The work of adhesion was estimated using Atomic Force Microscopy.

Effect of work of adhesion on deep bed filtration process

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

Przekop, Rafał; Jackiewicz, Anna; Gradoń, Leon

2016-06-08

Collection of aerosol particles in the particular steps of the technology of their production, and purification of the air at the workplace and atmospheric environment, requires the efficient method of separation of particulate matter from the carrier gas. There are many papers published in last few years in which the deposition of particles on fibrous collectors is considered, Most of them assume that collisions between particle and collector surface is 100% effective. In this work we study the influence of particles and fiber properties on the deposition efficiency. For the purpose of this work the lattice-Boltzmann model describes fluid dynamics,more » while the solid particle motion is modeled by the Brownian dynamics. The interactions between particles and surface are modelled using energy balanced oscillatory model. The work of adhesion was estimated using Atomic Force Microscopy.« less

Modelling atmospheric transport of α-hexachlorocyclohexane in the Northern Hemispherewith a 3-D dynamical model: DEHM-POP

NASA Astrophysics Data System (ADS)

Hansen, K. M.; Christensen, J. H.; Brandt, J.; Frohn, L. M.; Geels, C.

2004-07-01

The Danish Eulerian Hemispheric Model (DEHM) is a 3-D dynamical atmospheric transport model originally developed to describe the atmospheric transport of sulphur into the Arctic. A new version of the model, DEHM-POP, developed to study the atmospheric transport and environmental fate of persistent organic pollutants (POPs) is presented. During environmental cycling, POPs can be deposited and re-emitted several times before reaching a final destination. A description of the exchange processes between the land/ocean surfaces and the atmosphere is included in the model to account for this multi-hop transport. The α-isomer of the pesticide hexachlorocyclohexane (α-HCH) is used as tracer in the model development. The structure of the model and processes included are described in detail. The results from a model simulation showing the atmospheric transport for the years 1991 to 1998 are presented and evaluated against measurements. The annual averaged atmospheric concentration of α-HCH for the 1990s is well described by the model; however, the shorter-term average concentration for most of the stations is not well captured. This indicates that the present simple surface description needs to be refined to get a better description of the air-surface exchange processes of POPs.

Modelling atmospheric transport of persistent organic pollutants in the Northern Hemisphere with a 3-D dynamical model: DEHM-POP

NASA Astrophysics Data System (ADS)

Hansen, K. M.; Christensen, J. H.; Brandt, J.; Frohn, L. M.; Geels, C.

2004-03-01

The Danish Eulerian Hemispheric Model (DEHM) is a 3-D dynamical atmospheric transport model originally developed to describe the atmospheric transport of sulphur into the Arctic. A new version of the model, DEHM-POP, developed to study the atmospheric transport and environmental fate of persistent organic pollutants (POPs) is presented. During environmental cycling, POPs can be deposited and re-emitted several times before reaching a final destination. A description of the exchange processes between the land/ocean surfaces and the atmosphere is included in the model to account for this multi-hop transport. The α-isomer of the pesticide hexachlorocyclohexane (α-HCH) is used as tracer in the model development. The structure of the model and processes included are described in detail. The results from a model simulation showing the atmospheric transport for the years 1991 to 1998 are presented and evaluated against measurements. The annual averaged atmospheric concentration of α-HCH for the 1990s is well described by the model; however, the shorter-term average concentration for most of the stations is not well captured. This indicates that the present simple surface description needs to be refined to get a better description of the air-surface exchange proceses of POPs.

O the Development and Use of Four-Dimensional Data Assimilation in Limited-Area Mesoscale Models Used for Meteorological Analysis.

NASA Astrophysics Data System (ADS)

Stauffer, David R.

1990-01-01

The application of dynamic relationships to the analysis problem for the atmosphere is extended to use a full-physics limited-area mesoscale model as the dynamic constraint. A four-dimensional data assimilation (FDDA) scheme based on Newtonian relaxation or "nudging" is developed and evaluated in the Penn State/National Center for Atmospheric Research (PSU/NCAR) mesoscale model, which is used here as a dynamic-analysis tool. The thesis is to determine what assimilation strategies and what meterological fields (mass, wind or both) have the greatest positive impact on the 72-h numerical simulations (dynamic analyses) of two mid-latitude, real-data cases. The basic FDDA methodology is tested in a 10-layer version of the model with a bulk-aerodynamic (single-layer) representation of the planetary boundary layer (PBL), and refined in a 15-layer version of the model by considering the effects of data assimilation within a multi-layer PBL scheme. As designed, the model solution can be relaxed toward either gridded analyses ("analysis nudging"), or toward the actual observations ("obs nudging"). The data used for assimilation include standard 12-hourly rawinsonde data, and also 3-hourly mesoalpha-scale surface data which are applied within the model's multi-layer PBL. Continuous assimilation of standard-resolution rawinsonde data into the 10-layer model successfully reduced large-scale amplitude and phase errors while the model realistically simulated mesoscale structures poorly defined or absent in the rawinsonde analyses and in the model simulations without FDDA. Nudging the model fields directly toward the rawinsonde observations generally produced results comparable to nudging toward gridded analyses. This obs -nudging technique is especially attractive for the assimilation of high-frequency, asynoptic data. Assimilation of 3-hourly surface wind and moisture data into the 15-layer FDDA system was most effective for improving the simulated precipitation fields because a significant portion of the vertically integrated moisture convergence often occurs in the PBL. Overall, the best dynamic analyses for the PBL, mass, wind and precipitation fields were obtained by nudging toward analyses of rawinsonde wind, temperature and moisture (the latter uses a weaker nudging coefficient) above the model PBL and toward analyses of surface-layer wind and moisture within the model PBL.

Direct observation of surface-state thermal oscillations in SmB6 oscillators

NASA Astrophysics Data System (ADS)

Casas, Brian; Stern, Alex; Efimkin, Dmitry K.; Fisk, Zachary; Xia, Jing

2018-01-01

SmB6 is a mixed valence Kondo insulator that exhibits a sharp increase in resistance following an activated behavior that levels off and saturates below 4 K. This behavior can be explained by the proposal of SmB6 representing a new state of matter, a topological Kondo insulator, in which a Kondo gap is developed, and topologically protected surface conduction dominates low-temperature transport. Exploiting its nonlinear dynamics, a tunable SmB6 oscillator device was recently demonstrated, where a small dc current generates large oscillating voltages at frequencies from a few Hz to hundreds of MHz. This behavior was explained by a theoretical model describing the thermal and electronic dynamics of coupled surface and bulk states. However, a crucial aspect of this model, the predicted temperature oscillation in the surface state, has not been experimentally observed to date. This is largely due to the technical difficulty of detecting an oscillating temperature of the very thin surface state. Here we report direct measurements of the time-dependent surface-state temperature in SmB6 with a RuO2 microthermometer. Our results agree quantitatively with the theoretically simulated temperature waveform, and hence support the validity of the oscillator model, which will provide accurate theoretical guidance for developing future SmB6 oscillators at higher frequencies.

Mucin Production Dynamics at the Surface of Corneal Epithelial Cells

NASA Astrophysics Data System (ADS)

Hormel, Tristan; Bhattacharjee, Tapomoy; Pitenis, Angela; Urueã+/-A, Juan; Sawyer, Gregory; Angelini, Thomas

Mucous layers form at the apical surface of many epithelia, protecting tissues from pathogens and environmental wear and damage. Although these layers contain many materials they are primarily composed of mucin glycoproteins, the concentration of which may be physiologically controlled to maintain specific rheological properties and to provide proper lubrication. Nowhere is this truer than at the surface of the eye's corneal epithelium, where the mucous layer must additionally achieve structural integrity to withstand the stresses created by blinking, and remain transparent in order to enable vision. I will present results on the growth dynamics, concentration, and rheology of a model corneal epithelial mucous layer, all of which can be viewed as important parameters at this interface. I will also discuss modulation of the mucous layer's dynamics with variation in environmental conditions. Alcon.

Development of Control Models and a Robust Multivariable Controller for Surface Shape Control

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

Winters, Scott Eric

2003-06-18

Surface shape control techniques are applied to many diverse disciplines, such as adaptive optics, noise control, aircraft flutter control and satellites, with an objective to achieve a desirable shape for an elastic body by the application of distributed control forces. Achieving the desirable shape is influenced by many factors, such as, actuator locations, sensor locations, surface precision and controller performance. Building prototypes to complete design optimizations or controller development can be costly or impractical. This shortfall, puts significant value in developing accurate modeling and control simulation approaches. This thesis focuses on the field of adaptive optics, although these developments havemore » the potential for application in many other fields. A static finite element model is developed and validated using a large aperture interferometer system. This model is then integrated into a control model using a linear least squares algorithm and Shack-Hartmann sensor. The model is successfully exercised showing functionality for various wavefront aberrations. Utilizing a verified model shows significant value in simulating static surface shape control problems with quantifiable uncertainties. A new dynamic model for a seven actuator deformable mirror is presented and its accuracy is proven through experiment. Bond graph techniques are used to generate the state space model of the multi-actuator deformable mirror including piezo-electric actuator dynamics. Using this verified model, a robust multi-input multi-output (MIMO) H ∞ controller is designed and implemented. This controller proved superior performance as compared to a standard proportional-integral controller (PI) design.« less

Microscopic modeling of gas-surface scattering. I. A combined molecular dynamics-rate equation approach

NASA Astrophysics Data System (ADS)

Filinov, A.; Bonitz, M.; Loffhagen, D.

2018-06-01

A combination of first principle molecular dynamics (MD) simulations with a rate equation model (MD-RE approach) is presented to study the trapping and the scattering of rare gas atoms from metal surfaces. The temporal evolution of the atom fractions that are either adsorbed or scattered into the continuum is investigated in detail. We demonstrate that for this description one has to consider trapped, quasi-trapped and scattering states, and present an energetic definition of these states. The rate equations contain the transition probabilities between the states. We demonstrate how these rate equations can be derived from kinetic theory. Moreover, we present a rigorous way to determine the transition probabilities from a microscopic analysis of the particle trajectories generated by MD simulations. Once the system reaches quasi-equilibrium, the rates converge to stationary values, and the subsequent thermal adsorption/desorption dynamics is completely described by the rate equations without the need to perform further time-consuming MD simulations. As a proof of concept of our approach, MD simulations for argon atoms interacting with a platinum (111) surface are presented. A detailed deterministic trajectory analysis is performed, and the transition rates are constructed. The dependence of the rates on the incidence conditions and the lattice temperature is analyzed. Based on this example, we analyze the time scale of the gas-surface system to approach the quasi-stationary state. The MD-RE model has great relevance for the plasma-surface modeling as it makes an extension of accurate simulations to long, experimentally relevant time scales possible. Its application to the computation of atomic sticking probabilities is given in the second part (paper II).

Dynamics of Cross-Shore Thermal Exchange Over Nonuniform Bathymetry

NASA Astrophysics Data System (ADS)

Safaie, A.; Davis, K. A.; Pawlak, G. R.

2016-02-01

The hydrodynamics of cross-shelf circulation on the inner shelf influence coastal ecosystems through the transport of heat, salt, nutrients, and planktonic organisms. While cross-shelf exchange on wide continental shelves has received a fair amount of attention in literature, the mechanisms for cross-shelf exchange on narrow shelves with steep, rough, and highly irregular bathymetry, characteristic of coral reef shorelines, is not well understood. Previous observational studies from reefs at Eilat, Israel and Oahu, Hawaii, have demonstrated the importance of surface heat flux in driving cross-shore transport. While both sites experienced offshore surface flow during daytime warming periods and offshore flow near the bed during nighttime cooling, the phase differences between the surface heat fluxes and thermal responses at the two sites indicate different dynamic flow regimes based on momentum and thermal balances. This study examines the dynamical structure of thermally driven flows using numerical modeling to investigate the hypothesis that thermally driven baroclinic exchange is important to cross-shore circulation for tropical coastlines. We use the open-source Regional Ocean Modeling System (ROMS), a free-surface, three-dimensional circulation model, considering a simple wedge case with uniform bathymetry in the alongshore direction, and heat flux applied uniformly to the surface. We examine different flow regimes using scaling of the momentum and thermal balance equations. We also explore the parameter space for the momentum balance describing cross-shore thermal exchange, and thoroughly characterize the exchange structure by investigating the dominant forcing regimes, the mechanisms responsible for modulating thermal circulation, and the effects of temporal variations in vertical mixing and heating/cooling buoyancy flux. Results are compared against existing data sets to evaluate the ability of the model to represent these flows.

Nonlinear dynamic modeling of rotor system supported by angular contact ball bearings

NASA Astrophysics Data System (ADS)

Wang, Hong; Han, Qinkai; Zhou, Daning

2017-02-01

In current bearing dynamic models, the displacement coordinate relations are usually utilized to approximately obtain the contact deformations between the rolling element and raceways, and then the nonlinear restoring forces of the rolling bearing could be calculated accordingly. Although the calculation efficiency is relatively higher, the accuracy is lower as the contact deformations should be solved through iterative analysis. Thus, an improved nonlinear dynamic model is presented in this paper. Considering the preload condition, surface waviness, Hertz contact and elastohydrodynamic lubrication, load distribution analysis is solved iteratively to more accurately obtain the contact deformations and angles between the rolling balls and raceways. The bearing restoring forces are then obtained through iteratively solving the load distribution equations at every time step. Dynamic tests upon a typical rotor system supported by two angular contact ball bearings are conducted to verify the model. Through comparisons, the differences between the nonlinear dynamic model and current models are also pointed out. The effects of axial preload, rotor eccentricity and inner/outer waviness amplitudes on the dynamic response are discussed in detail.

Modeling local extinction in turbulent combustion using an embedding method

NASA Astrophysics Data System (ADS)

Knaus, Robert; Pantano, Carlos

2012-11-01

Local regions of extinction in diffusion flames, called ``flame holes,'' can reduce the efficiency of combustion and increase the production of certain pollutants. At sufficiently high speeds, a flame may also be lifted from the rim of the burner to a downstream location that may be stable. These two phenomena share a common underlying mechanism of propagation related to edge-flame dynamics where chemistry and fluid mechanics are equally important. We present a formulation that describes the formation, propagation, and growth of flames holes on the stoichiometric surface using edge flame dynamics. The boundary separating the flame from the quenched region is modeled using a progress variable defined on the moving stoichiometric surface that is embedded in the three-dimensional space using an extension algorithm. This Cartesian problem is solved using a high-order finite-volume WENO method extended to this nonconservative problem. This algorithm can track the dynamics of flame holes in a turbulent reacting-shear layer and model flame liftoff without requiring full chemistry calculations.

Correlation between dynamic wetting behavior and chemical components of thermally modified wood

NASA Astrophysics Data System (ADS)

Wang, Wang; Zhu, Yuan; Cao, Jinzhen; Sun, Wenjing

2015-01-01

In order to investigate the dynamic wetting behavior of thermally modified wood, Cathay poplar (Populus cathayana Rehd.) and Scots pine (Pinus sylvestris L.) samples were thermally modified in an oven at 160, 180, 200, 220 or 240 °C for 4 h in this study. The dynamic contact angles and droplet volumes of water droplets on modified and unmodified wood surfaces were measured by sessile drop method, and their changing rates (expression index: K value and wetting slope) calculated by wetting models were illustrated for mapping the dynamic wetting process. The surface chemical components were also measured by X-ray photoelectron spectroscopy analysis (XPS), thus the relationship between dynamic wetting behavior and chemical components of thermally modified wood were determined. The results indicated that thermal modification was capable of decreasing the dynamic wettability of wood, expressed in lowing spread and penetration speed of water droplets on wood surfaces. This change was more obvious with the increased heating temperature. The K values varied linearly with the chemical components parameter (mass loss, O/C ratio, and C1/C2 ratio), indicating a strong correlation between dynamic wetting behavior and chemical components of thermally modified wood.

Tropical cloud feedbacks and natural variability of climate

NASA Technical Reports Server (NTRS)

Miller, R. L.; Del Genio, A. D.

1994-01-01

Simulations of natural variability by two general circulation models (GCMs) are examined. One GCM is a sector model, allowing relatively rapid integration without simplification of the model physics, which would potentially exclude mechanisms of variability. Two mechanisms are found in which tropical surface temperature and sea surface temperature (SST) vary on interannual and longer timescales. Both are related to changes in cloud cover that modulate SST through the surface radiative flux. Over the equatorial ocean, SST and surface temperature vary on an interannual timescale, which is determined by the magnitude of the associated cloud cover anomalies. Over the subtropical ocean, variations in low cloud cover drive SST variations. In the sector model, the variability has no preferred timescale, but instead is characterized by a 'red' spectrum with increasing power at longer periods. In the terrestrial GCM, SST variability associated with low cloud anomalies has a decadal timescale and is the dominant form of global temperature variability. Both GCMs are coupled to a mixed layer ocean model, where dynamical heat transports are prescribed, thus filtering out El Nino-Southern Oscillation (ENSO) and thermohaline circulation variability. The occurrence of variability in the absence of dynamical ocean feedbacks suggests that climatic variability on long timescales can arise from atmospheric processes alone.

Combining Imagery and Models to Understand River Dynamics

NASA Astrophysics Data System (ADS)

Blain, C. A.; Mied, R. P.; Linzell, R. S.

2014-12-01

Rivers pose one of the most challenging environments to characterize. Their geometric complexity and continually changing position and character are difficult to measure under optimal circumstances. Further compounding the problem is the often inaccessibility of these areas around the globe. Yet details of the river bank position and bed elevation are essential elements in the construction of accurate predictive river models. To meet this challenge, remote sensing imagery is first used to initialize the construction of advanced high resolution river circulation models. In turn, such models are applied to dynamically interpret remotely-sensed surface features. A method has been developed to automatically extract water and shoreline locations from arbitrarily sourced high resolution (~1m gsd) visual spectrum imagery without recourse to the spectral or color information. The approach relies on quantifying the difference in image texture between the relatively smooth water surface and the comparatively rough surface of surrounding land. Processing the segmented land/water interface results in ordered, continuous shoreline coordinates that bound river model construction. In the absence of observed bed elevations, one of several available analytic bathymetry cross-sectional relations are applied to complete the river model configuration. Successful application of this approach to the Snohomish River, WA and the Pearl River, MS are demonstrated. Once constructed, a hydrodynamic model of the river model can also be applied to unravel the dynamics responsible for observed surface features in the imagery. At a creek-river confluence in the Potomac River, MD, an ebb tide front observed in the imagery is analyzed using the model. The result is knowledge that an ebb shoal located just outside of the creek must be present and is essential for front formation. Furthermore, the front is found to be persistent throughout the tidal cycle, although it changes sign between ebb and flood phases. The presence of the creek only minimally modifies the underlying currents.

Modeling Lake Storage Dynamics to support Arctic Boreal Vulnerability Experiment (ABoVE)

NASA Astrophysics Data System (ADS)

Vimal, S.; Lettenmaier, D. P.; Smith, L. C.; Smith, S.; Bowling, L. C.; Pavelsky, T.

2017-12-01

The Arctic and Boreal Zone (ABZ) of Canada and Alaska includes vast areas of permafrost, lakes, and wetlands. Permafrost thawing in this area is expected to increase due to the projected rise of temperature caused by climate change. Over the long term, this may reduce overall surface water area, but in the near-term, the opposite is being observed, with rising paludification (lake/wetland expansion). One element of NASA's ABoVE field experiment is observations of lake and wetland extent and surface elevations using NASA's AirSWOT airborne interferometric radar, accompanied by a high-resolution camera. One use of the WSE retrievals will be to constrain model estimates of lake storage dynamics. Here, we compare predictions using the lake dynamics algorithm within the Variable Infiltration Capacity (VIC) land surface scheme. The VIC lake algorithm includes representation of sub-grid topography, where the depth and area of seasonally-flooded areas are modeled as a function of topographic wetness index, basin area, and slope. The topography data used is from a new global digital elevation model, MERIT-DEM. We initially set up VIC at sites with varying permafrost conditions (i.e., no permafrost, discontinuous, continuous) in Saskatoon and Yellowknife, Canada, and Toolik Lake, Alaska. We constrained the uncalibrated model with the WSE at the time of the first ABoVE flight, and quantified the model's ability to predict WSE and ΔWSE during the time of the second flight. Finally, we evaluated the sensitivity of the VIC-lakes model and compared the three permafrost conditions. Our results quantify the sensitivity of surface water to permafrost state across the target sites. Furthermore, our evaluation of the lake modeling framework contributes to the modeling and mapping framework for lake and reservoir storage change evaluation globally as part of the SWOT mission, planned for launch in 2021.

Smoothed particle hydrodynamics study of the roughness effect on contact angle and droplet flow

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

Shigorina, Elena; Kordilla, Jannes; Tartakovsky, Alexandre M.

We employ a pairwise force Smoothed Particle Hydrodynamics (PF-SPH) model to simulate sessile and transient droplets on rough hydrophobic and hydrophilic surfaces. PF-SPH allows for modeling of free surface flow without discretizing the air phase, which is achieved by imposing the surface tension and dynamic contact angles with pairwise interaction forces. We use the PF-SPH model to study the effect of surface roughness and microscopic contact angle on the effective contact angle and droplet dynamics. In the first part of this work, we investigate static contact angles of sessile droplets on rough surfaces in a shape of a sinusoidal functionmore » and made of rectangular bars placed on top of a flat surface. We find that the effective static contact angles of Cassie and Wenzel droplets on a rough surface are greater than the corresponding microscale static contact angles. As a result, microscale hydrophobic rough surfaces also show effective hydrophobic behavior. On the other hand, microscale hydrophilic surfaces may be macroscopically hydrophilic or hydrophobic, depending on the type of roughness. Next, we study the impact of the roughness orientation (i.e., an anisotropic roughness) and surface inclination on droplet flow velocities. Simulations show that droplet flow velocities are lower if the surface roughness is oriented perpendicular to the flow direction. If the predominant elements of surface roughness are in alignment with the flow direction, the flow velocities increase compared to smooth surfaces, which can be attributed to the decrease in fluid-solid contact area similar to the classical lotus effect. We demonstrate that linear scaling relationships between Bond and capillary number for droplet flow on flat surfaces also hold for flow on rough surfaces.« less

Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice

NASA Astrophysics Data System (ADS)

Willatt, Michael J.; Ceriotti, Michele; Althorpe, Stuart C.

2018-03-01

Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because of a phase-term, it cannot be used as a practical method without further approximation. Recently, Smith et al. [J. Chem. Phys. 142, 244112 (2015)] developed a "planetary" model dynamics which conserves the Feynman-Kleinert (FK) approximation to the quantum-Boltzmann distribution. Here, we show that for moderately anharmonic potentials, the planetary dynamics gives a good approximation to Matsubara trajectories on the FK potential surface by decoupling the centroid trajectory from the locally harmonic Matsubara fluctuations, which reduce to a single phase-less fluctuation particle (the "planet"). We also show that the FK effective frequency can be approximated by a direct integral over these fluctuations, obviating the need to solve iterative equations. This modification, together with use of thermostatted ring-polymer molecular dynamics, allows us to test the planetary model on water (gas-phase, liquid, and ice) using the q-TIP4P/F potential surface. The "planetary" fluctuations give a poor approximation to the rotational/librational bands in the infrared spectrum, but a good approximation to the bend and stretch bands, where the fluctuation lineshape is found to be motionally narrowed by the vibrations of the centroid.

Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice.

PubMed

Willatt, Michael J; Ceriotti, Michele; Althorpe, Stuart C

2018-03-14

Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because of a phase-term, it cannot be used as a practical method without further approximation. Recently, Smith et al. [J. Chem. Phys. 142, 244112 (2015)] developed a "planetary" model dynamics which conserves the Feynman-Kleinert (FK) approximation to the quantum-Boltzmann distribution. Here, we show that for moderately anharmonic potentials, the planetary dynamics gives a good approximation to Matsubara trajectories on the FK potential surface by decoupling the centroid trajectory from the locally harmonic Matsubara fluctuations, which reduce to a single phase-less fluctuation particle (the "planet"). We also show that the FK effective frequency can be approximated by a direct integral over these fluctuations, obviating the need to solve iterative equations. This modification, together with use of thermostatted ring-polymer molecular dynamics, allows us to test the planetary model on water (gas-phase, liquid, and ice) using the q-TIP4P/F potential surface. The "planetary" fluctuations give a poor approximation to the rotational/librational bands in the infrared spectrum, but a good approximation to the bend and stretch bands, where the fluctuation lineshape is found to be motionally narrowed by the vibrations of the centroid.

Ultrafast exciton migration in an HJ-aggregate: Potential surfaces and quantum dynamics

NASA Astrophysics Data System (ADS)

Binder, Robert; Polkehn, Matthias; Ma, Tianji; Burghardt, Irene

2017-01-01

Quantum dynamical and electronic structure calculations are combined to investigate the mechanism of exciton migration in an oligothiophene HJ aggregate, i.e., a combination of oligomer chains (J-type aggregates) and stacked aggregates of such chains (H-type aggregates). To this end, a Frenkel exciton model is parametrized by a recently introduced procedure [Binder et al., J. Chem. Phys. 141, 014101 (2014)] which uses oligomer excited-state calculations to perform an exact, point-wise mapping of coupled potential energy surfaces to an effective Frenkel model. Based upon this parametrization, the Multi-Layer Multi-Configuration Time-Dependent Hartree (ML-MCTDH) method is employed to investigate ultrafast dynamics of exciton transfer in a small, asymmetric HJ aggregate model composed of 30 sites and 30 active modes. For a partially delocalized initial condition, it is shown that a torsional defect confines the trapped initial exciton, and planarization induces an ultrafast resonant transition between an HJ-aggregated segment and a covalently bound "dangling chain" end. This model is a minimal realization of experimentally investigated mixed systems exhibiting ultrafast exciton transfer between aggregated, highly planarized chains and neighboring disordered segments.

Computed tear film and osmolarity dynamics on an eye-shaped domain

PubMed Central

Li, Longfei; Braun, Richard J.; Driscoll, Tobin A.; Henshaw, William D.; Banks, Jeffrey W.; King-Smith, P. Ewen

2016-01-01

The concentration of ions, or osmolarity, in the tear film is a key variable in understanding dry eye symptoms and disease. In this manuscript, we derive a mathematical model that couples osmolarity (treated as a single solute) and fluid dynamics within the tear film on a 2D eye-shaped domain. The model includes the physical effects of evaporation, surface tension, viscosity, ocular surface wettability, osmolarity, osmosis and tear fluid supply and drainage. The governing system of coupled non-linear partial differential equations is solved using the Overture computational framework, together with a hybrid time-stepping scheme, using a variable step backward differentiation formula and a Runge–Kutta–Chebyshev method that were added to the framework. The results of our numerical simulations provide new insight into the osmolarity distribution over the ocular surface during the interblink. PMID:25883248

Complementary effects of surface water and groundwater on soil moisture dynamics in a degraded coastal floodplain forest

NASA Astrophysics Data System (ADS)

Kaplan, D.; Muñoz-Carpena, R.

2011-02-01

SummaryRestoration of degraded floodplain forests requires a robust understanding of surface water, groundwater, and vadose zone hydrology. Soil moisture is of particular importance for seed germination and seedling survival, but is difficult to monitor and often overlooked in wetland restoration studies. This research hypothesizes that the complex effects of surface water and shallow groundwater on the soil moisture dynamics of floodplain wetlands are spatially complementary. To test this hypothesis, 31 long-term (4-year) hydrological time series were collected in the floodplain of the Loxahatchee River (Florida, USA), where watershed modifications have led to reduced freshwater flow, altered hydroperiod and salinity, and a degraded ecosystem. Dynamic factor analysis (DFA), a time series dimension reduction technique, was applied to model temporal and spatial variation in 12 soil moisture time series as linear combinations of common trends (representing shared, but unexplained, variability) and explanatory variables (selected from 19 additional candidate hydrological time series). The resulting dynamic factor models yielded good predictions of observed soil moisture series (overall coefficient of efficiency = 0.90) by identifying surface water elevation, groundwater elevation, and net recharge (cumulative rainfall-cumulative evapotranspiration) as important explanatory variables. Strong and complementary linear relationships were found between floodplain elevation and surface water effects (slope = 0.72, R2 = 0.86, p < 0.001), and between elevation and groundwater effects (slope = -0.71, R2 = 0.71, p = 0.001), while the effect of net recharge was homogenous across the experimental transect (slope = 0.03, R2 = 0.05, p = 0.242). This study provides a quantitative insight into the spatial structure of groundwater and surface water effects on soil moisture that will be useful for refining monitoring plans and developing ecosystem restoration and management scenarios in degraded coastal floodplains.

The effects of mixed layer dynamics on ice growth in the central Arctic

NASA Astrophysics Data System (ADS)

Kitchen, Bruce R.

1992-09-01

The thermodynamic model of Thorndike (1992) is coupled to a one dimensional, two layer ocean entrainment model to study the effect of mixed layer dynamics on ice growth and the variation in the ocean heat flux into the ice due to mixed layer entrainment. Model simulations show the existence of a negative feedback between the ice growth and the mixed layer entrainment, and that the underlying ocean salinity has a greater effect on the ocean beat flux than does variations in the underlying ocean temperature. Model simulations for a variety of surface forcings and initial conditions demonstrate the need to include mixed layer dynamics for realistic ice prediction in the arctic.

Molecular dynamics studies of a DNA-binding protein: 2. An evaluation of implicit and explicit solvent models for the molecular dynamics simulation of the Escherichia coli trp repressor.

PubMed Central

Guenot, J.; Kollman, P. A.

1992-01-01

Although aqueous simulations with periodic boundary conditions more accurately describe protein dynamics than in vacuo simulations, these are computationally intensive for most proteins. Trp repressor dynamic simulations with a small water shell surrounding the starting model yield protein trajectories that are markedly improved over gas phase, yet computationally efficient. Explicit water in molecular dynamics simulations maintains surface exposure of protein hydrophilic atoms and burial of hydrophobic atoms by opposing the otherwise asymmetric protein-protein forces. This properly orients protein surface side chains, reduces protein fluctuations, and lowers the overall root mean square deviation from the crystal structure. For simulations with crystallographic waters only, a linear or sigmoidal distance-dependent dielectric yields a much better trajectory than does a constant dielectric model. As more water is added to the starting model, the differences between using distance-dependent and constant dielectric models becomes smaller, although the linear distance-dependent dielectric yields an average structure closer to the crystal structure than does a constant dielectric model. Multiplicative constants greater than one, for the linear distance-dependent dielectric simulations, produced trajectories that are progressively worse in describing trp repressor dynamics. Simulations of bovine pancreatic trypsin were used to ensure that the trp repressor results were not protein dependent and to explore the effect of the nonbonded cutoff on the distance-dependent and constant dielectric simulation models. The nonbonded cutoff markedly affected the constant but not distance-dependent dielectric bovine pancreatic trypsin inhibitor simulations. As with trp repressor, the distance-dependent dielectric model with a shell of water surrounding the protein produced a trajectory in better agreement with the crystal structure than a constant dielectric model, and the physical properties of the trajectory average structure, both with and without a nonbonded cutoff, were comparable. PMID:1304396

Theoretical fluid dynamics

NASA Astrophysics Data System (ADS)

Shivamoggi, B. K.

This book is concerned with a discussion of the dynamical behavior of a fluid, and is addressed primarily to graduate students and researchers in theoretical physics and applied mathematics. A review of basic concepts and equations of fluid dynamics is presented, taking into account a fluid model of systems, the objective of fluid dynamics, the fluid state, description of the flow field, volume forces and surface forces, relative motion near a point, stress-strain relation, equations of fluid flows, surface tension, and a program for analysis of the governing equations. The dynamics of incompressible fluid flows is considered along with the dynamics of compressible fluid flows, the dynamics of viscous fluid flows, hydrodynamic stability, and dynamics of turbulence. Attention is given to the complex-variable method, three-dimensional irrotational flows, vortex flows, rotating flows, water waves, applications to aerodynamics, shock waves, potential flows, the hodograph method, flows at low and high Reynolds numbers, the Jeffrey-Hamel flow, and the capillary instability of a liquid jet.

Urban Land: Study of Surface Run-off Composition and Its Dynamics

NASA Astrophysics Data System (ADS)

Palagin, E. D.; Gridneva, M. A.; Bykova, P. G.

2017-11-01

The qualitative composition of urban land surface run-off is liable to significant variations. To study surface run-off dynamics, to examine its behaviour and to discover reasons of these variations, it is relevant to use the mathematical apparatus technique of time series analysis. A seasonal decomposition procedure was applied to a temporary series of monthly dynamics with the annual frequency of seasonal variations in connection with a multiplicative model. The results of the quantitative chemical analysis of surface wastewater of the 22nd Partsjezd outlet in Samara for the period of 2004-2016 were used as basic data. As a result of the analysis, a seasonal pattern of variations in the composition of surface run-off in Samara was identified. Seasonal indices upon 15 waste-water quality indicators were defined. BOD (full), suspended materials, mineralization, chlorides, sulphates, ammonium-ion, nitrite-anion, nitrate-anion, phosphates (phosphorus), iron general, copper, zinc, aluminium, petroleum products, synthetic surfactants (anion-active). Based on the seasonal decomposition of the time series data, the contribution of trends, seasonal and accidental components of the variability of the surface run-off indicators was estimated.

Dynamics of tokamak plasma surface current in 3D ideal MHD model

NASA Astrophysics Data System (ADS)

Galkin, Sergei A.; Svidzinski, V. A.; Zakharov, L. E.

2013-10-01

Interest in the surface current which can arise on perturbed sharp plasma vacuum interface in tokamaks was recently generated by a few papers (see and references therein). In dangerous disruption events with plasma-touching-wall scenarios, the surface current can be shared with the wall leading to the strong, damaging forces acting on the wall A relatively simple analytic definition of δ-function surface current proportional to a jump of tangential component of magnetic field nevertheless leads to a complex computational problem on the moving plasma-vacuum interface, requiring the incorporation of non-linear 3D plasma dynamics even in one-fluid ideal MHD. The Disruption Simulation Code (DSC), which had recently been developed in a fully 3D toroidal geometry with adaptation to the moving plasma boundary, is an appropriate tool for accurate self-consistent δfunction surface current calculation. Progress on the DSC-3D development will be presented. Self-consistent surface current calculation under non-linear dynamics of low m kink mode and VDE will be discussed. Work is supported by the US DOE SBIR grant #DE-SC0004487.

Vegetation in drylands: Effects on wind flow and aeolian sediment transport

USDA-ARS?s Scientific Manuscript database

Drylands are characterised by patchy vegetation, erodible surfaces and erosive aeolian processes. Empirical and modelling studies have shown that vegetation elements provide drag on the overlying airflow, thus affecting wind velocity profiles and altering erosive dynamics on desert surfaces. However...

DYNAMICS OF MINERAL STRUCTURES AND THE FATE OF METALS IN SOILS AND SEDIMENTS

EPA Science Inventory

Significant progress has been made in elucidating sorption reactions that control the partitioning of metals from solution to mineral surfaces in contaminated soil/sediment systems. Surface complexation models have been developed to quantify the forward reaction with reasonable ...

From brittle to ductile fracture in disordered materials.

PubMed

Picallo, Clara B; López, Juan M; Zapperi, Stefano; Alava, Mikko J

2010-10-08

We introduce a lattice model able to describe damage and yielding in heterogeneous materials ranging from brittle to ductile ones. Ductile fracture surfaces, obtained when the system breaks once the strain is completely localized, are shown to correspond to minimum energy surfaces. The similarity of the resulting fracture paths to the limits of brittle fracture or minimum energy surfaces is quantified. The model exhibits a smooth transition from brittleness to ductility. The dynamics of yielding exhibits avalanches with a power-law distribution.

The value of model averaging and dynamical climate model predictions for improving statistical seasonal streamflow forecasts over Australia

NASA Astrophysics Data System (ADS)

Pokhrel, Prafulla; Wang, Q. J.; Robertson, David E.

2013-10-01

Seasonal streamflow forecasts are valuable for planning and allocation of water resources. In Australia, the Bureau of Meteorology employs a statistical method to forecast seasonal streamflows. The method uses predictors that are related to catchment wetness at the start of a forecast period and to climate during the forecast period. For the latter, a predictor is selected among a number of lagged climate indices as candidates to give the "best" model in terms of model performance in cross validation. This study investigates two strategies for further improvement in seasonal streamflow forecasts. The first is to combine, through Bayesian model averaging, multiple candidate models with different lagged climate indices as predictors, to take advantage of different predictive strengths of the multiple models. The second strategy is to introduce additional candidate models, using rainfall and sea surface temperature predictions from a global climate model as predictors. This is to take advantage of the direct simulations of various dynamic processes. The results show that combining forecasts from multiple statistical models generally yields more skillful forecasts than using only the best model and appears to moderate the worst forecast errors. The use of rainfall predictions from the dynamical climate model marginally improves the streamflow forecasts when viewed over all the study catchments and seasons, but the use of sea surface temperature predictions provide little additional benefit.

Integrating aerodynamic surface modeling for computational fluid dynamics with computer aided structural analysis, design, and manufacturing

NASA Technical Reports Server (NTRS)

Thorp, Scott A.

1992-01-01

This presentation will discuss the development of a NASA Geometry Exchange Specification for transferring aerodynamic surface geometry between LeRC systems and grid generation software used for computational fluid dynamics research. The proposed specification is based on a subset of the Initial Graphics Exchange Specification (IGES). The presentation will include discussion of how the NASA-IGES standard will accommodate improved computer aided design inspection methods and reverse engineering techniques currently being developed. The presentation is in viewgraph format.

A new model for fluid velocity slip on a solid surface.

PubMed

Shu, Jian-Jun; Teo, Ji Bin Melvin; Chan, Weng Kong

2016-10-12

A general adsorption model is developed to describe the interactions between near-wall fluid molecules and solid surfaces. This model serves as a framework for the theoretical modelling of boundary slip phenomena. Based on this adsorption model, a new general model for the slip velocity of fluids on solid surfaces is introduced. The slip boundary condition at a fluid-solid interface has hitherto been considered separately for gases and liquids. In this paper, we show that the slip velocity in both gases and liquids may originate from dynamical adsorption processes at the interface. A unified analytical model that is valid for both gas-solid and liquid-solid slip boundary conditions is proposed based on surface science theory. The corroboration with the experimental data extracted from the literature shows that the proposed model provides an improved prediction compared to existing analytical models for gases at higher shear rates and close agreement for liquid-solid interfaces in general.

Ordered and disordered dynamics in monolayers of rolling particles.

PubMed

Kim, Byungsoo; Putkaradze, Vakhtang

2010-12-10

We consider the ordered and disordered dynamics for monolayers of rolling self-interacting particles modeling water molecules. The rolling constraint represents a simplified model of a strong, but rapidly decaying bond with the surface. We show the existence and nonlinear stability of ordered lattice states, as well as disturbance propagation through and chaotic vibrations of these states. We study the dynamics of disordered gas states and show that there is a surprising and universal linear connection between distributions of angular and linear velocity, allowing definition of temperature.

Tear dynamics in healthy and dry eyes.

PubMed

Cerretani, Colin F; Radke, C J

2014-06-01

Dry-eye disease, an increasingly prevalent ocular-surface disorder, significantly alters tear physiology. Understanding the basic physics of tear dynamics in healthy and dry eyes benefits both diagnosis and treatment of dry eye. We present a physiological-based model to describe tear dynamics during blinking. Tears are compartmentalized over the ocular surface; the blink cycle is divided into three repeating phases. Conservation laws quantify the tear volume and tear osmolarity of each compartment during each blink phase. Lacrimal-supply and tear-evaporation rates are varied to reveal the dependence of tear dynamics on dry-eye conditions, specifically tear osmolarity, tear volume, tear-turnover rate (TTR), and osmotic water flow. Predicted periodic-steady tear-meniscus osmolarity is 309 and 321 mOsM in normal and dry eyes, respectively. Tear osmolarity, volume, and TTR all match available clinical measurements. Osmotic water flow through the cornea and conjunctiva contribute 10 and 50% to the total tear supply in healthy and dry-eye conditions, respectively. TTR in aqueous-deficient dry eye (ADDE) is only half that in evaporative dry eye (EDE). The compartmental periodic-steady tear-dynamics model accurately predicts tear behavior in normal and dry eyes. Inclusion of osmotic water flow is crucial to match measured tear osmolarity. Tear-dynamics predictions corroborate the use of TTR as a clinical discriminator between ADDE and EDE. The proposed model is readily extended to predict the dynamics of aqueous solutes such as drugs or fluorescent tags.

A Bottom-Up Approach to Understanding Protein Layer Formation at Solid-Liquid Interfaces

PubMed Central

Kastantin, Mark; Langdon, Blake B.; Schwartz, Daniel K.

2014-01-01

A common goal across different fields (e.g. separations, biosensors, biomaterials, pharmaceuticals) is to understand how protein behavior at solid-liquid interfaces is affected by environmental conditions. Temperature, pH, ionic strength, and the chemical and physical properties of the solid surface, among many factors, can control microscopic protein dynamics (e.g. adsorption, desorption, diffusion, aggregation) that contribute to macroscopic properties like time-dependent total protein surface coverage and protein structure. These relationships are typically studied through a top-down approach in which macroscopic observations are explained using analytical models that are based upon reasonable, but not universally true, simplifying assumptions about microscopic protein dynamics. Conclusions connecting microscopic dynamics to environmental factors can be heavily biased by potentially incorrect assumptions. In contrast, more complicated models avoid several of the common assumptions but require many parameters that have overlapping effects on predictions of macroscopic, average protein properties. Consequently, these models are poorly suited for the top-down approach. Because the sophistication incorporated into these models may ultimately prove essential to understanding interfacial protein behavior, this article proposes a bottom-up approach in which direct observations of microscopic protein dynamics specify parameters in complicated models, which then generate macroscopic predictions to compare with experiment. In this framework, single-molecule tracking has proven capable of making direct measurements of microscopic protein dynamics, but must be complemented by modeling to combine and extrapolate many independent microscopic observations to the macro-scale. The bottom-up approach is expected to better connect environmental factors to macroscopic protein behavior, thereby guiding rational choices that promote desirable protein behaviors. PMID:24484895

Using sea surface temperatures to improve performance of single dynamical downscaling model in flood simulation under climate change

NASA Astrophysics Data System (ADS)

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.

An experimental and theoretical study of structural damping in compliant foil bearings

NASA Technical Reports Server (NTRS)

Ku, C.-P. Roger

1994-01-01

This paper describes an experimental investigation into the dynamic characteristics of corrugated foil (bump foil) strips used in compliant surface foil bearings. This study provided and opportunity to quantify the structural damping of bump foil strips. The experimental data were compared to results obtained by a theoretical model developed earlier. The effects of bearing design parameters, such as static loads, dynamic displacement amplitudes, bump configurations, pivot locations, surface coatings, and lubricant were also evaluated. An understanding of the dynamic characteristics of bump foil strips resulting from this work offers designers a means for enhancing the design of high-performance compliant foil bearings.

Single-bubble dynamics in pool boiling of one-component fluids

NASA Astrophysics Data System (ADS)

Xu, Xinpeng; Qian, Tiezheng

2014-06-01

We numerically investigate the pool boiling of one-component fluids with a focus on the effects of surface wettability on the single-bubble dynamics. We employed the dynamic van der Waals theory [Phys. Rev. E 75, 036304 (2007), 10.1103/PhysRevE.75.036304], a diffuse-interface model for liquid-vapor flows involving liquid-vapor transition in nonuniform temperature fields. We first perform simulations for bubbles on homogeneous surfaces. We find that an increase in either the contact angle or the surface superheating can enhance the bubble spreading over the heating surface and increase the bubble departure diameter as well and therefore facilitate the transition into film boiling. We then examine the dynamics of bubbles on patterned surfaces, which incorporate the advantages of both hydrophobic and hydrophilic surfaces. The central hydrophobic region increases the thermodynamic probability of bubble nucleation while the surrounding hydrophilic region hinders the continuous bubble spreading by pinning the contact line at the hydrophobic-hydrophilic intersection. This leads to a small bubble departure diameter and therefore prevents the transition from nucleate boiling into film boiling. With the bubble nucleation probability increased and the bubble departure facilitated, the efficiency of heat transfer on such patterned surfaces is highly enhanced, as observed experimentally [Int. J. Heat Mass Transfer 57, 733 (2013), 10.1016/j.ijheatmasstransfer.2012.10.080]. In addition, the stick-slip motion of contact line on patterned surfaces is demonstrated in one-component fluids, with the effect weakened by surface superheating.

Weaker soil carbon-climate feedbacks resulting from microbial and abiotic interactions

NASA Astrophysics Data System (ADS)

Tang, Jinyun; Riley, William J.

2015-01-01

The large uncertainty in soil carbon-climate feedback predictions has been attributed to the incorrect parameterization of decomposition temperature sensitivity (Q10; ref. ) and microbial carbon use efficiency. Empirical experiments have found that these parameters vary spatiotemporally, but such variability is not included in current ecosystem models. Here we use a thermodynamically based decomposition model to test the hypothesis that this observed variability arises from interactions between temperature, microbial biogeochemistry, and mineral surface sorptive reactions. We show that because mineral surfaces interact with substrates, enzymes and microbes, both Q10 and microbial carbon use efficiency are hysteretic (so that neither can be represented by a single static function) and the conventional labile and recalcitrant substrate characterization with static temperature sensitivity is flawed. In a 4-K temperature perturbation experiment, our fully dynamic model predicted more variable but weaker soil carbon-climate feedbacks than did the static Q10 and static carbon use efficiency model when forced with yearly, daily and hourly variable temperatures. These results imply that current Earth system models probably overestimate the response of soil carbon stocks to global warming. Future ecosystem models should therefore consider the dynamic interactions between sorptive mineral surfaces, substrates and microbial processes.

An ice sheet model validation framework for the Greenland ice sheet

NASA Astrophysics Data System (ADS)

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.; Howat, Ian M.; Neumann, Thomas; Saba, Jack; Tezaur, Irina; Guerber, Jeffrey; Chambers, Don P.; Evans, Katherine J.; Kennedy, Joseph H.; Lenaerts, Jan; Lipscomb, William H.; Perego, Mauro; Salinger, Andrew G.; Tuminaro, Raymond S.; van den Broeke, Michiel R.; Nowicki, Sophie M. J.

2017-01-01

We propose a new ice sheet model validation framework - the Cryospheric Model Comparison Tool (CmCt) - that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013, using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quantitative metrics for use in evaluating the different model simulations against the observations. We find that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin-scale and whole-ice-sheet-scale metrics, we find that simulations using both idealized conceptual models and dynamic, numerical models provide an equally reasonable representation of the ice sheet surface (mean elevation differences of < 1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CmCt, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate a predictive skill with respect to observed dynamic changes that have occurred on Greenland over the past few decades. An extensible design will allow for continued use of the CmCt as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation.

An ice sheet model validation framework for the Greenland ice sheet

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

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.

We propose a new ice sheet model validation framework the Cryospheric Model Comparison Tool (CMCT) that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013 using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quanti- tative metricsmore » for use in evaluating the different model simulations against the observations. We find 10 that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin- and whole-ice-sheet scale metrics, the model initial condition as well as output from idealized and dynamic models all provide an equally reasonable representation of the ice sheet surface (mean elevation differences of <1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CMCT, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate predictive skill with respect to observed dynamic changes occurring on Greenland over the past few decades. An extensible design will allow for continued use of the CMCT as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation.« less

An ice sheet model validation framework for the Greenland ice sheet

DOE PAGES

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.; ...

2017-01-17

We propose a new ice sheet model validation framework the Cryospheric Model Comparison Tool (CMCT) that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013 using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quanti- tative metricsmore » for use in evaluating the different model simulations against the observations. We find 10 that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin- and whole-ice-sheet scale metrics, the model initial condition as well as output from idealized and dynamic models all provide an equally reasonable representation of the ice sheet surface (mean elevation differences of <1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CMCT, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate predictive skill with respect to observed dynamic changes occurring on Greenland over the past few decades. An extensible design will allow for continued use of the CMCT as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation.« less

An ice sheet model validation framework for the Greenland ice sheet

PubMed Central

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.; Howat, Ian M.; Neumann, Thomas; Saba, Jack; Tezaur, Irina; Guerber, Jeffrey; Chambers, Don P.; Evans, Katherine J.; Kennedy, Joseph H.; Lenaerts, Jan; Lipscomb, William H.; Perego, Mauro; Salinger, Andrew G.; Tuminaro, Raymond S.; van den Broeke, Michiel R.; Nowicki, Sophie M. J.

2018-01-01

We propose a new ice sheet model validation framework – the Cryospheric Model Comparison Tool (CmCt) – that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013 using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quantitative metrics for use in evaluating the different model simulations against the observations. We find that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin- and whole-ice-sheet scale metrics, we find that simulations using both idealized conceptual models and dynamic, numerical models provide an equally reasonable representation of the ice sheet surface (mean elevation differences of <1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CmCt, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate predictive skill with respect to observed dynamic changes occurring on Greenland over the past few decades. An extensible design will allow for continued use of the CmCt as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation. PMID:29697704

An Ice Sheet Model Validation Framework for the Greenland Ice Sheet

NASA Technical Reports Server (NTRS)

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.; Howat, Ian M.; Neumann, Thomas A.; Saba, Jack; Tezaur, Irina; Guerber, Jeffrey R.; Chambers, Don P.; Evans, Katherine J.;

Identification of Dust Source Regions at High-Resolution and Dynamics of Dust Source Mask over Southwest United States Using Remote Sensing Data

NASA Astrophysics Data System (ADS)

Sprigg, W. A.; Sahoo, S.; Prasad, A. K.; Venkatesh, A. S.; Vukovic, A.; Nickovic, S.

2015-12-01

Identification and evaluation of sources of aeolian mineral dust is a critical task in the simulation of dust. Recently, time series of space based multi-sensor satellite images have been used to identify and monitor changes in the land surface characteristics. Modeling of windblown dust requires precise delineation of mineral dust source and its strength that varies over a region as well as seasonal and inter-annual variability due to changes in land use and land cover. Southwest USA is one of the major dust emission prone zone in North American continent where dust is generated from low lying dried-up areas with bare ground surface and they may be scattered or appear as point sources on high resolution satellite images. In the current research, various satellite derived variables have been integrated to produce a high-resolution dust source mask, at grid size of 250 m, using data such as digital elevation model, surface reflectance, vegetation cover, land cover class, and surface wetness. Previous dust source models have been adopted to produce a multi-parameter dust source mask using data from satellites such as Terra (Moderate Resolution Imaging Spectroradiometer - MODIS), and Landsat. The dust source mask model captures the topographically low regions with bare soil surface, dried-up river plains, and lakes which form important source of dust in southwest USA. The study region is also one of the hottest regions of USA where surface dryness, land use (agricultural use), and vegetation cover changes significantly leading to major changes in the areal coverage of potential dust source regions. A dynamic high resolution dust source mask have been produced to address intra-annual change in the aerial extent of bare dry surfaces. Time series of satellite derived data have been used to create dynamic dust source masks. A new dust source mask at 16 day interval allows enhanced detection of potential dust source regions that can be employed in the dust emission and transport pathways models for better estimation of emission of dust during dust storms, particulate air pollution, public health risk assessment tools and decision support systems.

Computational Modeling Approaches to Multiscale Design of Icephobic Surfaces

NASA Technical Reports Server (NTRS)

Tallman, Aaron; Wang, Yan; Vargas, Mario

2017-01-01

To aid in the design of surfaces that prevent icing, a model and computational simulation of impact ice formation at the single droplet scale was implemented. The nucleation of a single supercooled droplet impacting on a substrate, in rime ice conditions, was simulated. Open source computational fluid dynamics (CFD) software was used for the simulation. To aid in the design of surfaces that prevent icing, a model of impact ice formation at the single droplet scale was proposed•No existing model simulates simultaneous impact and freezing of a single super-cooled water droplet•For the 10-week project, a low-fidelity feasibility study was the goal.

Development of the Transport Class Model (TCM) Aircraft Simulation From a Sub-Scale Generic Transport Model (GTM) Simulation

NASA Technical Reports Server (NTRS)

Hueschen, Richard M.

2011-01-01

A six degree-of-freedom, flat-earth dynamics, non-linear, and non-proprietary aircraft simulation was developed that is representative of a generic mid-sized twin-jet transport aircraft. The simulation was developed from a non-proprietary, publicly available, subscale twin-jet transport aircraft simulation using scaling relationships and a modified aerodynamic database. The simulation has an extended aerodynamics database with aero data outside the normal transport-operating envelope (large angle-of-attack and sideslip values). The simulation has representative transport aircraft surface actuator models with variable rate-limits and generally fixed position limits. The simulation contains a generic 40,000 lb sea level thrust engine model. The engine model is a first order dynamic model with a variable time constant that changes according to simulation conditions. The simulation provides a means for interfacing a flight control system to use the simulation sensor variables and to command the surface actuators and throttle position of the engine model.

SHIELDS Final Technical Report

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

Jordanova, Vania Koleva

Predicting variations in the near-Earth space environment that can lead to spacecraft damage and failure, i.e. “space weather”, remains a big space physics challenge. A new capability was developed at Los Alamos National Laboratory (LANL) to understand, model, and predict Space Hazards Induced near Earth by Large Dynamic Storms, the SHIELDS framework. This framework simulates the dynamics of the Surface Charging Environment (SCE), the hot (keV) electrons representing the source and seed populations for the radiation belts, on both macro- and micro-scale. In addition to using physics-based models (like RAM-SCB, BATS-R-US, and iPIC3D), new data assimilation techniques employing data frommore » LANL instruments on the Van Allen Probes and geosynchronous satellites were developed. An order of magnitude improvement in the accuracy in the simulation of the spacecraft surface charging environment was thus obtained. SHIELDS also includes a post-processing tool designed to calculate the surface charging for specific spacecraft geometry using the Curvilinear Particle-In-Cell (CPIC) code and to evaluate anomalies' relation to SCE dynamics. Such diagnostics is critically important when performing forensic analyses of space-system failures.« less

Dynamics of surface-migration: Electron-induced reaction of 1,2-dihaloethanes on Si(100)

NASA Astrophysics Data System (ADS)

Huang, Kai; MacLean, Oliver; Guo, Si Yue; McNab, Iain R.; Ning, Zhanyu; Wang, Chen-Guang; Ji, Wei; Polanyi, John C.

2016-10-01

Scanning Tunneling Microscopy was used to investigate the electron-induced reaction of 1,2-dibromoethane (DBE) and 1,2-dichloroethane (DCE) on Si(100).We observed a long-lived physisorbed molecular state of DBE at 75 K and of DCE at 110 K. As a result we were able to characterize by experiment and also by ab initio theory the dynamics of ethylene production in the electron-induced surface-reaction of these physisorbed species. For both DBE and DCE the ethylene product was observed to migrate across the surface. In the case of DBE the recoil of the ethylene favored the silicon rows, migrating by an average distance of 22 Å, and up to 100 Å. Trajectory calculations were performed for this electron-induced reaction, using an 'Impulsive Two-State' model involving an anionic excited state and a neutral ground-potential. The model agreed with experiment in reproducing both migration and desorption of the ethylene product. The computed migration exhibited a 'ballistic' launch and subsequent 'bounces', thereby accounting for the observed long-range migratory dynamics.

Modeling phosphorus losses from soils amended with cattle manures and chemical fertilizers.

PubMed

Wang, Zhaozhi; Zhang, T Q; Tan, C S; Vadas, P; Qi, Z M; Wellen, C

2018-05-22

While applied manure/fertilizer is an important source of P loss in surface runoff, few models simulate the direct transfer of phosphorus (P) from soil-surface-applied manure/fertilizer to surface runoff. The SurPhos model was tested with 2008-2010 growing season daily surface runoff data from clay loam experimental plots subject to different manure/fertilizer applications. Model performance was evaluated on the basis of the coefficient of determination (R 2 ), Nash-Sutcliffe efficiency (NSE), percent bias (PBIAS), and the ratio of the root mean square error to the standard deviation of observed values (RSR). The model offered an acceptable performance in simulating soil labile P dynamics (R 2  = 0.75, NSE = 0.55, PBIAS = 10.43%, and RSR = 0.67) and dissolved reactive P (DRP) loss in surface runoff (R 2  ≥ 0.74 and NSE ≥ 0.69) for both solid and liquid cattle manure, as well as inorganic fertilizer. Simulated direct P loss in surface runoff from solid and liquid cattle manure accounted for 39% and 40% of total growing season DRP losses in surface runoff. To compensate for the unavailability of daily surface runoff observations under snow melt condition, the whole four years' (2008-2011) daily surface runoff predicted by EPIC (Environmental Policy Integrated Climate) was used as SurPhos input. The accuracy of simulated DRP loss in surface runoff under the different manure/fertilizer treatments was acceptable (R 2  ≥ 0.55 and NSE ≥ 0.50). For the solid cattle manure treatment, of all annual DRP losses, 19% were derived directly from the manure. Beyond offering a reliable prediction of manure/fertilizer P loss in surface runoff, SurPhos quantified different sources of DRP loss and dynamic labile P in soil, allowing a better critical assessment of different P management measures' effectiveness in mitigating DRP losses. Copyright © 2018 Elsevier B.V. All rights reserved.

Does the Sverdrup critical depth model explain bloom dynamics in estuaries?

USGS Publications Warehouse

Lucas, L.V.; Cloern, J.E.; Koseff, Jeffrey R.; Monismith, Stephen G.; Thompson, J.K.

1998-01-01

In this paper we use numerical models of coupled biological-hydrodynamic processes to search for general principles of bloom regulation in estuarine waters. We address three questions: what are the dynamics of stratification in coastal systems as influenced by variable freshwater input and tidal stirring? How does phytoplankton growth respond to these dynamics? Can the classical Sverdrup Critical Depth Model (SCDM) be used to predict the timing of bloom events in shallow coastal domains such as estuaries? We present results of simulation experiments which assume that vertical transport and net phytoplankton growth rates are horizontally homogeneous. In the present approach the temporally and spatially varying turbulent diffusivities for various stratification scenarios are calculated using a hydrodynamic code that includes the Mellor-Yamada 2.5 turbulence closure model. These diffusivities are then used in a time- and depth-dependent advection-diffusion equation, incorporating sources and sinks, for the phytoplankton biomass. Our modeling results show that, whereas persistent stratification greatly increases the probability of a bloom, semidiurnal periodic stratification does not increase the likelihood of a phytoplankton bloom over that of a constantly unstratified water column. Thus, for phytoplankton blooms, the physical regime of periodic stratification is closer to complete mixing than to persistent stratification. Furthermore, the details of persistent stratification are important: surface layer depth, thickness of the pycnocline, vertical density difference, and tidal current speed all weigh heavily in producing conditions which promote the onset of phytoplankton blooms. Our model results for shallow tidal systems do not conform to the classical concepts of stratification and blooms in deep pelagic systems. First, earlier studies (Riley, 1942, for example) suggest a monotonic increase in surface layer production as the surface layer shallows. Our model results suggest, however, a nonmonotonic relationship between phytoplankton population growth and surface layer depth, which results from a balance between several 'competing' processes, including the interaction of sinking with turbulent mixing and average net growth occurring within the surface layer. Second, we show that the traditional SCDM must be refined for application to energetic shallow systems or for systems in which surface layer mixing is not strong enough to counteract the sinking loss of phytoplankton. This need for refinement arises because of the leakage of phytoplankton from the surface layer by turbulent diffusion and sinking, processes not considered in the classical SCDM. Our model shows that, even for low sinking rates and small turbulent diffusivities, a significant % of the phytoplankton biomass produced in the surface layer can be lost by these processes.

Contributions of the NASA Langley Research Center to the DARPA/AFRL/NASA/ Northrop Grumman Smart Wing Program

NASA Technical Reports Server (NTRS)

Florance, Jennifer P.; Burner, Alpheus W.; Fleming, Gary A.; Martin, Christopher A.

2003-01-01

An overview of the contributions of the NASA Langley Research Center (LaRC) to the DARPA/AFRL/NASA/ Northrop Grumman Corporation (NGC) Smart Wing program is presented. The overall objective of the Smart Wing program was to develop smart** technologies and demonstrate near-flight-scale actuation systems to improve the aerodynamic performance of military aircraft. NASA LaRC s roles were to provide technical guidance, wind-tunnel testing time and support, and Computational Fluid Dynamics (CFD) analyses. The program was divided into two phases, with each phase having two wind-tunnel entries in the Langley Transonic Dynamics Tunnel (TDT). This paper focuses on the fourth and final wind-tunnel test: Phase 2, Test 2. During this test, a model based on the NGC Unmanned Combat Air Vehicle (UCAV) concept was tested at Mach numbers up to 0.8 and dynamic pressures up to 150 psf to determine the aerodynamic performance benefits that could be achieved using hingeless, smoothly-contoured control surfaces actuated with smart materials technologies. The UCAV-based model was a 30% geometric scale, full-span, sting-mounted model with the smart control surfaces on the starboard wing and conventional, hinged control surfaces on the port wing. Two LaRC-developed instrumentation systems were used during the test to externally measure the shapes of the smart control surface and quantify the effects of aerodynamic loading on the deflections: Videogrammetric Model Deformation (VMD) and Projection Moire Interferometry (PMI). VMD is an optical technique that uses single-camera photogrammetric tracking of discrete targets to determine deflections at specific points. PMI provides spatially continuous measurements of model deformation by computationally analyzing images of a grid projected onto the model surface. Both the VMD and PMI measurements served well to validate the use of on-board (internal) rotary potentiometers to measure the smart control surface deflection angles. Prior to the final entry, NASA LaRC also performed three-dimensional unstructured Navier Stokes CFD analyses in an attempt to predict the potential aerodynamic impact of the smart control surface on overall model forces and moments. Eight different control surface shapes were selected for study at Mach = 0.6, Reynolds number = 3.25 x 10(exp 6), and + 2 deg., 3 deg., 8 deg., and 10 deg.model angles-of-attack. For the baseline, undeflected control surface geometry, the CFD predictions and wind-tunnel results matched well. The agreement was not as good for the more complex aero-loaded control surface shapes, though, because of the inability to accurately predict those shapes. Despite these results, the NASA CFD study served as an important step in studying advanced control effectors.

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

NASA Astrophysics Data System (ADS)

Paiewonsky, Pablo; Elison Timm, Oliver

2018-03-01

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

Modelling global nitrogen export to ground and surface water from natural ecosystems: impact of N deposition, climate, and CO2 concentration

NASA Astrophysics Data System (ADS)

Braakhekke, Maarten; Rebel, Karin; Dekker, Stefan; van Beek, Rens; Bierkens, Marc; Smith, Ben; Wassen, Martin

2015-04-01

For large regions in the world strong increases in atmospheric nitrogen (N) deposition are predicted as a result of emissions from fossil fuel combustion and food production. This will cause many previously N limited ecosystems to become N saturated, leading to increased export to ground and surface water and negative impacts on the environment and human health. However, precise N export fluxes are difficult to predict. Due to its strong link to carbon, N in vegetation and soil is also determined by productivity, as affected by rising atmospheric CO2 concentration and temperature, and denitrification. Furthermore, the N concentration of water delivered to streams depends strongly on local hydrological conditions. We aim to study how N delivery to ground and surface water is affected by changes in environmental factors. To this end we are developing a global dynamic modelling system that integrates representations of N cycling in vegetation and soil, and N delivery to ground and surface water. This will be achieved by coupling the dynamic global vegetation model LPJ-GUESS, which includes representations of N cycling, as well as croplands and pasture, to the global water balance model PCR-GLOBWB, which simulates surface runoff, interflow, groundwater recharge, and baseflow. This coupling will allow us to trace N across different systems and estimate the input of N into the riverine system which can be used as input for river biogeochemical models. We will present large scale estimates of N leaching and transport to ground and surface water for natural ecosystems in different biomes, based on a loose coupling of the two models. Furthermore, by means of a factorial model experiment we will explore how these fluxes are influenced by N deposition, temperature, and CO2 concentration.

Dynamics of droplet motion under electrowetting actuation.

PubMed

Annapragada, S Ravi; Dash, Susmita; Garimella, Suresh V; Murthy, Jayathi Y

2011-07-05

The static shape of droplets under electrowetting actuation is well understood. The steady-state shape of the droplet is obtained on the basis of the balance of surface tension and electrowetting forces, and the change in the apparent contact angle is well characterized by the Young-Lippmann equation. However, the transient droplet shape behavior when a voltage is suddenly applied across a droplet has received less attention. Additional dynamic frictional forces are at play during this transient process. We present a model to predict this transient behavior of the droplet shape under electrowetting actuation. The droplet shape is modeled using the volume of fluid method. The electrowetting and dynamic frictional forces are included as an effective dynamic contact angle through a force balance at the contact line. The model is used to predict the transient behavior of water droplets on smooth hydrophobic surfaces under electrowetting actuation. The predictions of the transient behavior of droplet shape and contact radius are in excellent agreement with our experimental measurements. The internal fluid motion is explained, and the droplet motion is shown to initiate from the contact line. An approximate mathematical model is also developed to understand the physics of the droplet motion and to describe the overall droplet motion and the contact line velocities. © 2011 American Chemical Society

CCN numerical simulations for the GoAmazon with the OLAM model

NASA Astrophysics Data System (ADS)

Ramos-da-Silva, R.; Haas, R.; Barbosa, H. M.; Machado, L.

2015-12-01

Manaus is a large city in the center of the Amazon rainforest. The GoAmazon field project is exploring the region through various data collection and modeling to investigate in impacts of the urban polluted plume on the surrounding pristine areas. In this study a numerical model was applied to simulate the atmospheric dynamics and the Cloud Condensation Nucleai (CCN) concentrations evolution. Simulations with and without the urban plume was performed to identify its dynamics and local impacts. The results show that the land surface characteristics has important hole on the CCN distribution and rainfall over the region. At the south of Manaus the atmospheric dynamics is dominated by the cloud streets that are aligned with the trade winds and the Amazon River. At the north of Manaus, the Negro River produces the advection of a more stable atmosphere causing a higher CCN concentration on the boundary layer. Assuming a local high CCN concentration at the Manaus boundary layer region, the simulations show that the land-atmosphere interaction sets important dynamics on the plume. The model shows that the CCN plume moves along with the flow towards southwest of Manaus following the cloud streets and the river direction having the highest concentrations over the most stable water surface regions.

Surface tension models for a multi-material ALE code with AMR

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

Liu, Wangyi; Koniges, Alice; Gott, Kevin

A number of surface tension models have been implemented in a 3D multi-physics multi-material code, ALE–AMR, which combines Arbitrary Lagrangian Eulerian (ALE) hydrodynamics with Adaptive Mesh Refinement (AMR). ALE–AMR is unique in its ability to model hot radiating plasmas, cold fragmenting solids, and most recently, the deformation of molten material. The surface tension models implemented include a diffuse interface approach with special numerical techniques to remove parasitic flow and a height function approach in conjunction with a volume-fraction interface reconstruction package. These surface tension models are benchmarked with a variety of test problems. In conclusion, based on the results, themore » height function approach using volume fractions was chosen to simulate droplet dynamics associated with extreme ultraviolet (EUV) lithography.« less

Surface tension models for a multi-material ALE code with AMR

DOE PAGES

Liu, Wangyi; Koniges, Alice; Gott, Kevin; ...

2017-06-01

A number of surface tension models have been implemented in a 3D multi-physics multi-material code, ALE–AMR, which combines Arbitrary Lagrangian Eulerian (ALE) hydrodynamics with Adaptive Mesh Refinement (AMR). ALE–AMR is unique in its ability to model hot radiating plasmas, cold fragmenting solids, and most recently, the deformation of molten material. The surface tension models implemented include a diffuse interface approach with special numerical techniques to remove parasitic flow and a height function approach in conjunction with a volume-fraction interface reconstruction package. These surface tension models are benchmarked with a variety of test problems. In conclusion, based on the results, themore » height function approach using volume fractions was chosen to simulate droplet dynamics associated with extreme ultraviolet (EUV) lithography.« less

Research Review, 1983

NASA Technical Reports Server (NTRS)

1984-01-01

The Global Modeling and Simulation Branch (GMSB) of the Laboratory for Atmospheric Sciences (GLAS) is engaged in general circulation modeling studies related to global atmospheric and oceanographic research. The research activities discussed are organized into two disciplines: Global Weather/Observing Systems and Climate/Ocean-Air Interactions. The Global Weather activities are grouped in four areas: (1) Analysis and Forecast Studies, (2) Satellite Observing Systems, (3) Analysis and Model Development, (4) Atmospheric Dynamics and Diagnostic Studies. The GLAS Analysis/Forecast/Retrieval System was applied to both FGGE and post FGGE periods. The resulting analyses have already been used in a large number of theoretical studies of atmospheric dynamics, forecast impact studies and development of new or improved algorithms for the utilization of satellite data. Ocean studies have focused on the analysis of long-term global sea surface temperature data, for use in the study of the response of the atmosphere to sea surface temperature anomalies. Climate research has concentrated on the simulation of global cloudiness, and on the sensitivities of the climate to sea surface temperature and ground wetness anomalies.

Approximating basins of attraction for dynamical systems via stable radial bases

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

Cavoretto, R.; De Rossi, A.; Perracchione, E.

2016-06-08

In applied sciences it is often required to model and supervise temporal evolution of populations via dynamical systems. In this paper, we focus on the problem of approximating the basins of attraction of such models for each stable equilibrium point. We propose to reconstruct the basins via an implicit interpolant using stable radial bases, obtaining the surfaces by partitioning the phase space into disjoint regions. An application to a competition model presenting jointly three stable equilibria is considered.

Insilico modeling and molecular dynamic simulation of claudin-1 point mutations in HCV infection.

PubMed

Vipperla, Bhavaniprasad; Dass, J Febin Prabhu; Jayanthi, S

2014-01-01

Claudin-1 (CLDN1) in association with envelope glycoprotein (CD81) mediates the fusion of HCV into the cytosol. Recent studies have indicated that point mutations in CLDN1 are important for the entry of hepatitis C virus (HCV). To validate these findings, we employed a computational platform to investigate the structural effect of two point mutations (I32M and E48K). Initially, three-dimensional co-ordinates for CLDN1 receptor sequence were generated. Then, three mutant models were built using the point mutation including a double mutant (I32M/E48K) model from the native model structure. Finally, all the four model structures including the native and three mutant models were subjected to molecular dynamics (MD) simulation for a period of 25 ns to appreciate their dynamic behavior. The MD trajectory files were analyzed using cluster and principal component method. The analysis suggested that either of the single mutation has negligible effect on the overall structure of CLDN1 compared to the double mutant form. However, the double mutant model of CLDN1 shows significant negative impact through the impairment of H-bonds and the simultaneous increase in solvent accessible surface area. Our simulation results are visibly consistent with the experimental report suggesting that the CLDN1 receptor distortion is prominent due to the double mutation with large surface accessibility. This increase in accessible surface area due to the coexistence of double mutation may be presumed as one of the key factor that results in permissive action of HCV attachment and infection.

Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Yoshii, Noriyuki; Nimura, Yuki; Fujimoto, Kazushi; Okazaki, Susumu

2017-07-01

The surface structure and its fluctuation of spherical micelles were investigated using a series of density correlation functions newly defined by spherical harmonics and Legendre polynomials based on the molecular dynamics calculations. To investigate the influence of head-group charges on the micelle surface structure, ionic sodium dodecyl sulfate and nonionic octaethyleneglycol monododecylether (C12E8) micelles were investigated as model systems. Large-scale density fluctuations were observed for both micelles in the calculated surface static structure factor. The area compressibility of the micelle surface evaluated by the surface static structure factor was tens-of-times larger than a typical value of a lipid membrane surface. The structural relaxation time, which was evaluated from the surface intermediate scattering function, indicates that the relaxation mechanism of the long-range surface structure can be well described by the hydrostatic approximation. The density fluctuation on the two-dimensional micelle surface has similar characteristics to that of three-dimensional fluids near the critical point.

Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study.

PubMed

Yoshii, Noriyuki; Nimura, Yuki; Fujimoto, Kazushi; Okazaki, Susumu

2017-07-21

The surface structure and its fluctuation of spherical micelles were investigated using a series of density correlation functions newly defined by spherical harmonics and Legendre polynomials based on the molecular dynamics calculations. To investigate the influence of head-group charges on the micelle surface structure, ionic sodium dodecyl sulfate and nonionic octaethyleneglycol monododecylether (C 12 E 8 ) micelles were investigated as model systems. Large-scale density fluctuations were observed for both micelles in the calculated surface static structure factor. The area compressibility of the micelle surface evaluated by the surface static structure factor was tens-of-times larger than a typical value of a lipid membrane surface. The structural relaxation time, which was evaluated from the surface intermediate scattering function, indicates that the relaxation mechanism of the long-range surface structure can be well described by the hydrostatic approximation. The density fluctuation on the two-dimensional micelle surface has similar characteristics to that of three-dimensional fluids near the critical point.

Dissipative-particle-dynamics model of biofilm growth

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

Xu, Zhijie; Meakin, Paul; Tartakovsky, Alexandre M.

2011-06-13

A dissipative particle dynamics (DPD) model for the quantitative simulation of biofilm growth controlled by substrate (nutrient) consumption, advective and diffusive substrate transport, and hydrodynamic interactions with fluid flow (including fragmentation and reattachment) is described. The model was used to simulate biomass growth, decay, and spreading. It predicts how the biofilm morphology depends on flow conditions, biofilm growth kinetics, the rheomechanical properties of the biofilm and adhesion to solid surfaces. The morphology of the model biofilm depends strongly on its rigidity and the magnitude of the body force that drives the fluid over the biofilm.

Hyporheic hot moments: Dissolved oxygen dynamics in the hyporheic zone in response to surface flow perturbations

NASA Astrophysics Data System (ADS)

Kaufman, Matthew H.; Cardenas, M. Bayani; Buttles, Jim; Kessler, Adam J.; Cook, Perran L. M.

2017-08-01

Dissolved oxygen (DO) is a key environmental variable that drives and feeds back with numerous processes. In the aquatic sediment that makes up the hyporheic zone, DO may exhibit pronounced spatial gradients and complex patterns which control the distribution of a series of redox processes. Yet, little is known regarding the dynamics of hyporheic zone DO, especially under transitional flow regimes. Considering the natural tendency of rivers to be highly responsive to external forcing, these temporal dynamics are potentially just as important and pronounced as the spatial gradients. Here we use laboratory flume experiments and multiphysics flow and reactive transport modeling to investigate surface flow controls on the depth of oxygen penetration in the bed as well as the area of oxygenated sediment. We show that the hyporheic zone DO conditions respond over time scales of hours-to-days when subjected to practically instantaneous surface flow perturbations. Additionally, the flume experiments demonstrate that hyporheic zone DO conditions respond faster to surface flow acceleration than to deceleration. Finally, we found that the morphology of the dissolved oxygen plume front depends on surface flow acceleration or deceleration. This study thus shows that the highly dynamic nature of typical streams and rivers drives equally dynamic redox conditions in the hyporheic zone. Because the redox conditions and their distribution within the hyporheic zone are important from biological, ecological, and contaminant perspectives, this hyporheic redox dynamism has the potential to impact system scale aquatic chemical cycles.

Computational model for noncontact atomic force microscopy: energy dissipation of cantilever.

PubMed

Senda, Yasuhiro; Blomqvist, Janne; Nieminen, Risto M

2016-09-21

We propose a computational model for noncontact atomic force microscopy (AFM) in which the atomic force between the cantilever tip and the surface is calculated using a molecular dynamics method, and the macroscopic motion of the cantilever is modeled by an oscillating spring. The movement of atoms in the tip and surface is connected with the oscillating spring using a recently developed coupling method. In this computational model, the oscillation energy is dissipated, as observed in AFM experiments. We attribute this dissipation to the hysteresis and nonconservative properties of the interatomic force that acts between the atoms in the tip and sample surface. The dissipation rate strongly depends on the parameters used in the computational model.

A New Approach for 3D Ocean Reconstruction from Limited Observations

NASA Astrophysics Data System (ADS)

Xiao, X.

2014-12-01

Satellites can measure ocean surface height and temperature with sufficient spatial and temporal resolution to capture mesoscale features across the globe. Measurements of the ocean's interior, however, remain sparse and irregular, thus the dynamical inference of subsurface flows is necessary to interpret surface measurements. The most common (and accurate) approach is to incorporate surface measurements into a data-assimilating forward ocean model, but this approach is expensive and slow, and thus completely impractical for time-critical needs, such as offering guidance to ship-based observational campaigns. Two recently-developed approaches have made use of the apparent partial consistency of upper ocean dynamics with quasigeostrophic flows that take into account surface buoyancy gradients (i.e. the "surface quasigeostrophic" (SQG) model) to "reconstruct" the interior flow from knowledge of surface height and buoyancy. Here we improve on these methods in three ways: (1) we adopt a modal decomposition that represents the surface and interior dynamics in an efficient way, allowing the separation of surface energy from total energy; (2) we make use of instantaneous vertical profile observations (e.g. from ARGO data) to improve the reconstruction of eddy variables at depth; and (3) we use advanced statistical methods to choose the optimal modes for the reconstruction. The method is tested using a series of high horizontal and vertical resolution quasigeostrophic simulation, with a wide range of surface buoyancy and interior potential vorticity gradient combinations. In addtion, we apply the method to output from a very high resolution primitive equation simulation of a forced and dissipated baroclinic front in a channel. Our new method is systematically compared to the existing methods as well. Its advantages and limitations will be discussed.

Simulating land-atmosphere feedbacks and response to widespread forest disturbance: The role of lower boundary configuration and dynamic water table in meteorological modeling

NASA Astrophysics Data System (ADS)

Forrester, M.; Maxwell, R. M.; Bearup, L. A.; Gochis, D.

2017-12-01

Numerical meteorological models are frequently used to diagnose land-atmosphere interactions and predict large-scale response to extreme or hazardous events, including widespread land disturbance or perturbations to near-surface moisture. However, few atmospheric modeling platforms consider the impact that dynamic groundwater storage, specifically 3D subsurface flow, has on land-atmosphere interactions. In this study, we use the Weather Research and Forecasting (WRF) mesoscale meteorological model to identify ecohydrologic and land-atmosphere feedbacks to disturbance by the mountain pine beetle (MPB) over the Colorado Headwaters region. Disturbance simulations are applied to WRF with various lower boundary configurations: Including default Noah land surface model soil moisture representation; a version of WRF coupled to ParFlow (PF), an integrated groundwater-surface water model that resolves variably saturated flow in the subsurface; and WRF coupled to PF in a static water table version, simulating only vertical and no lateral subsurface flow. Our results agree with previous literature showing MPB-induced reductions in canopy transpiration in all lower boundary scenarios, as well as energy repartitioning, higher water tables, and higher planetary boundary layer over infested regions. Simulations show that expanding from local to watershed scale results in significant damping of MPB signal as unforested and unimpacted regions are added; and, while deforestation appears to have secondary feedbacks to planetary boundary layer and convection, these slight perturbations to cumulative summer precipitation are insignificant in the context of ensemble methodologies. Notably, the results suggest that groundwater representation in atmospheric modeling affects the response intensity of a land disturbance event. In the WRF-PF case, energy and atmospheric processes are more sensitive to disturbance in regions with higher water tables. Also, when dynamic subsurface hydrology is removed, WRF simulates a greater response to MPB at the land-atmosphere interface, including greater changes to daytime skin temperature, Bowen ratio and near-surface humidity. These findings highlight lower boundary representations in computational meteorology and numerical land-atmosphere modeling.

A numerical study of the effect of irrigation on land-atmosphere interactions in a spring wheat cropland in India using a coupled atmosphere-crop growth dynamics model

NASA Astrophysics Data System (ADS)

Kumari, S.; Sharma, P.; Srivastava, A.; Rastogi, D.; Sehgal, V. K.; Dhakar, R.; Roy, S. B.

2017-12-01

Vegetation dynamics and surface meteorology are tightly coupled through the exchange of momentum, moisture and heat between the land surface and the atmosphere. In this study, we use a recently developed coupled atmosphere-crop growth dynamics model to study these exchanges and their effects in a spring wheat cropland in northern India. In particular, we investigate the role of irrigation in controlling crop growth rates, surface meteorology, and sensible and latent heat fluxes. The model is developed by implementing a crop growth module based on the Simple and Universal Crop growth Simulator (SUCROS) model in the Weather Research Forecasting (WRF) mesoscale atmospheric model. The crop module calculates photosynthesis rates, carbon assimilation, and biomass partitioning as a function of environmental factors and crop development stage. The leaf area index (LAI) and root depth calculated by the crop module is then fed to the Noah-MP land module of WRF to calculate land-atmosphere fluxes. The crop model is calibrated using data from an experimental spring wheat crop site in the Indian Agriculture Research Institute. The coupled model is capable of simulating the observed spring wheat phenology. Irrigation is simulated by changing the soil moisture levels from 50% - 100% of field capacity. Results show that the yield first increases with increasing soil moisture and then starts decreasing as we further increase the soil moisture. Yield attains its maximum value with soil moisture at the level of 60% water of FC. At this level, high LAI values lead to a decrease in the Bowen Ratio because more energy is transferred to the atmosphere as latent heat rather than sensible heat resulting in a cooling effect on near-surface air temperatures. Apart from improving simulation of land-atmosphere interactions, this coupled modeling approach can form the basis for the seamless crop yield and seasonal scale weather outlook prediction system.

Non-equilibrium many-body influence on mode-locked Vertical External-cavity Surface-emitting Lasers

NASA Astrophysics Data System (ADS)

Kilen, Isak Ragnvald

Vertical external-cavity surface-emitting lasers are ideal testbeds for studying the influence of the non-equilibrium many-body dynamics on mode locking. As we will show in this thesis, ultra short pulse generation involves a marked departure from Fermi carrier distributions assumed in prior theoretical studies. A quantitative model of the mode locking dynamics is presented, where the semiconductor Bloch equations with Maxwell's equation are coupled, in order to study the influences of quantum well carrier scattering on mode locking dynamics. This is the first work where the full model is solved without adiabatically eliminating the microscopic polarizations. In many instances we find that higher order correlation contributions (e.g. polarization dephasing, carrier scattering, and screening) can be represented by rate models, with the effective rates extracted at the level of second Born-Markov approximations. In other circumstances, such as continuous wave multi-wavelength lasing, we are forced to fully include these higher correlation terms. In this thesis we identify the key contributors that control mode locking dynamics, the stability of single pulse mode-locking, and the influence of higher order correlation in sustaining multi-wavelength continuous wave operation.

Assessing thermal conductivity of composting reactor with attention on varying thermal resistance between compost and the inner surface.

PubMed

Wang, Yongjiang; Niu, Wenjuan; Ai, Ping

2016-12-01

Dynamic estimation of heat transfer through composting reactor wall was crucial for insulating design and maintaining a sanitary temperature. A model, incorporating conductive, convective and radiative heat transfer mechanisms, was developed in this paper to provide thermal resistance calculations for composting reactor wall. The mechanism of thermal transfer from compost to inner surface of structural layer, as a first step of heat loss, was important for improving insulation performance, which was divided into conduction and convection and discussed specifically in this study. It was found decreasing conductive resistance was responsible for the drop of insulation between compost and reactor wall. Increasing compost porosity or manufacturing a curved surface, decreasing the contact area of compost and the reactor wall, might improve the insulation performance. Upon modeling of heat transfers from compost to ambient environment, the study yielded a condensed and simplified model that could be used to conduct thermal resistance analysis for composting reactor. With theoretical derivations and a case application, the model was applicable for both dynamic estimation and typical composting scenario. Copyright © 2016 Elsevier Ltd. All rights reserved.

Model and algorithm based on accurate realization of dwell time in magnetorheological finishing.

PubMed

Song, Ci; Dai, Yifan; Peng, Xiaoqiang

2010-07-01

Classically, a dwell-time map is created with a method such as deconvolution or numerical optimization, with the input being a surface error map and influence function. This dwell-time map is the numerical optimum for minimizing residual form error, but it takes no account of machine dynamics limitations. The map is then reinterpreted as machine speeds and accelerations or decelerations in a separate operation. In this paper we consider combining the two methods in a single optimization by the use of a constrained nonlinear optimization model, which regards both the two-norm of the surface residual error and the dwell-time gradient as an objective function. This enables machine dynamic limitations to be properly considered within the scope of the optimization, reducing both residual surface error and polishing times. Further simulations are introduced to demonstrate the feasibility of the model, and the velocity map is reinterpreted from the dwell time, meeting the requirement of velocity and the limitations of accelerations or decelerations. Indeed, the model and algorithm can also apply to other computer-controlled subaperture methods.

Microbial Life in Soil - Linking Biophysical Models with Observations

NASA Astrophysics Data System (ADS)

Or, Dani; Tecon, Robin; Ebrahimi, Ali; Kleyer, Hannah; Ilie, Olga; Wang, Gang

2015-04-01

Microbial life in soil occurs within fragmented aquatic habitats formed in complex pore spaces where motility is restricted to short hydration windows (e.g., following rainfall). The limited range of self-dispersion and physical confinement promote spatial association among trophically interdepended microbial species. Competition and preferences for different nutrient resources and byproducts and their diffusion require high level of spatial organization to sustain the functioning of multispecies communities. We report mechanistic modeling studies of competing multispecies microbial communities grown on hydrated surfaces and within artificial soil aggregates (represented by 3-D pore network). Results show how trophic dependencies and cell-level interactions within patchy diffusion fields promote spatial self-organization of motile microbial cells. The spontaneously forming patterns of segregated, yet coexisting species were robust to spatial heterogeneities and to temporal perturbations (hydration dynamics), and respond primarily to the type of trophic dependencies. Such spatially self-organized consortia may reflect ecological templates that optimize substrate utilization and could form the basic architecture for more permanent surface-attached microbial colonies. Hydration dynamics affect structure and spatial arrangement of aerobic and anaerobic microbial communities and their biogeochemical functions. Experiments with well-characterized artificial soil microbial assemblies grown on porous surfaces provide access to community dynamics during wetting and drying cycles detected through genetic fingerprinting. Experiments for visual observations of spatial associations of tagged bacterial species with known trophic dependencies on model porous surfaces are underway. Biophysical modeling provide a means for predicting hydration-mediated critical separation distances for activation of spatial self-organization. The study provides new modeling and observational tools that enable new mechanistic insights into how differences in substrate affinities among microbial species and soil micro-hydrological conditions may give rise to a remarkable spatial and functional order in an extremely heterogeneous soil microbial world

Microbial Life in Soil - Linking Biophysical Models with Observations

NASA Astrophysics Data System (ADS)

Or, D.; Tecon, R.; Ebrahimi, A.; Kleyer, H.; Ilie, O.; Wang, G.

2014-12-01

Microbial life in soil occurs within fragmented aquatic habitats in complex pore spaces where motility is restricted to short hydration windows (e.g., following rainfall). The limited range of self-dispersion and physical confinement promote spatial association among trophically interdepended microbial species. Competition and preferences for different nutrient resources and byproducts and their diffusion require high level of spatial organization to sustain the functioning of multispecies communities. We report mechanistic modeling studies of competing multispecies microbial communities grown on hydrated surfaces and within artificial soil aggregates (represented by 3-D pore network). Results show how trophic dependencies and cell-level interactions within patchy diffusion fields promote spatial self-organization of motile microbial cells. The spontaneously forming patterns of segregated, yet coexisting species were robust to spatial heterogeneities and to temporal perturbations (hydration dynamics), and respond primarily to the type of trophic dependencies. Such spatially self-organized consortia may reflect ecological templates that optimize substrate utilization and could form the basic architecture for more permanent surface-attached microbial colonies. Hydration dynamics affect structure and spatial arrangement of aerobic and anaerobic microbial communities and their biogeochemical functions. Experiments with well-characterized artificial soil microbial assemblies grown on porous surfaces provide access to community dynamics during wetting and drying cycles detected through genetic fingerprinting. Experiments for visual observations of spatial associations of tagged bacterial species with known trophic dependencies on model porous surfaces are underway. Biophysical modeling provide a means for predicting hydration-mediated critical separation distances for activation of spatial self-organization. The study provides new modeling and observational tools that enable new mechanistic insights into how differences in substrate affinities among microbial species and soil micro-hydrological conditions may give rise to a remarkable spatial and functional order in an extremely heterogeneous soil microbial world.

Arctic Ice Dynamics Joint Experiment (AIDJEX) assumptions revisited and found inadequate

NASA Astrophysics Data System (ADS)

Coon, Max; Kwok, Ron; Levy, Gad; Pruis, Matthew; Schreyer, Howard; Sulsky, Deborah

2007-11-01

This paper revisits the Arctic Ice Dynamics Joint Experiment (AIDJEX) assumptions about pack ice behavior with an eye to modeling sea ice dynamics. The AIDJEX assumptions were that (1) enough leads were present in a 100 km by 100 km region to make the ice isotropic on that scale; (2) the ice had no tensile strength; and (3) the ice behavior could be approximated by an isotropic yield surface. These assumptions were made during the development of the AIDJEX model in the 1970s, and are now found inadequate. The assumptions were made in part because of insufficient large-scale (10 km) deformation and stress data, and in part because of computer capability limitations. Upon reviewing deformation and stress data, it is clear that a model including deformation on discontinuities and an anisotropic failure surface with tension would better describe the behavior of pack ice. A model based on these assumptions is needed to represent the deformation and stress in pack ice on scales from 10 to 100 km, and would need to explicitly resolve discontinuities. Such a model would require a different class of metrics to validate discontinuities against observations.

Topography and Radiative Forcing Patterns on Glaciers in the Karakoram Himalaya

NASA Astrophysics Data System (ADS)

Dobreva, I. D.; Bishop, M. P.; Liu, J. C.; Liang, D.

2015-12-01

Glaciers in the western Himalaya exhibit significant spatial variations in morphology and dynamics. Climate, topography and debris cover variations are thought to significantly affect glacier fluctuations and glacier sensitivity to climate change, although the role of topography and radiative forcing have not been adequately characterized and related to glacier fluctuations and dynamics. Consequently, we examined the glaciers in the Karakoram Himalaya, as they exhibit high spatial variability in glacier fluctuation rates and ice dynamics including flow velocity and surging. Specifically, we wanted to examine the relationships between these glacier characteristics and temporal patterns of surface irradiance over the ablation season. To accomplish this, we developed and used a rigorous GIS-based solar radiative transfer model that accounts for the direct and diffuse-skylight irradiance components. The model accounts for multiple topographic effects on the magnitude of irradiance reaching glacier surfaces. We specifically used the ASTER GDEM digital elevation model for irradiance simulations. We then examined temporal patterns of irradiance at the grid-cell level to identify the dominant patterns that were used to train a 3-layer artificial neural network. Our results demonstrate that there are unique spatial and temporal patterns associated with downwasting and surging glaciers, and that these patterns partially account for the spatial distribution of advancing and retreating glaciers. Lower-altitude terminus regions of surging glaciers exhibited relatively low surface irradiance values that decreased in magnitude with time, demonstrating that high-velocity surging glaciers facilitate relief production and exhibit steeper surface irradiance gradients with altitude. Collectively, these results demonstrate the important role that local and regional topography play in governing climate-glacier dynamics in the Himalaya.

Stability and dynamic of strain mediated adatom superlattices on Cu<111 >

NASA Astrophysics Data System (ADS)

Kappus, Wolfgang

2013-03-01

Substrate strain mediated adatom equilibrium density distributions have been calculated for Cu<111 > surfaces using two complementing methods. A hexagonal adatom superlattice in a coverage range up to 0.045 ML is derived for repulsive short range interactions. For zero short range interactions a hexagonal superstructure of adatom clusters is derived in a coverage range about 0.08 ML. Conditions for the stability of the superlattice against formation of dimers or clusters and degradation are analyzed using simple neighborhood models. Such models are also used to investigate the dynamic of adatoms within their superlattice neighborhood. Collective modes of adatom diffusion are proposed from the analogy with bulk lattice dynamics and methods for measurement are suggested. The recently put forward explanation of surface state mediated interactions for superstructures found in scanning tunneling microscopy experiments is put in question and strain mediated interactions are proposed as an alternative.

Mean Dynamic Topography of the Arctic Ocean

NASA Technical Reports Server (NTRS)

Farrell, Sinead Louise; Mcadoo, David C.; Laxon, Seymour W.; Zwally, H. Jay; Yi, Donghui; Ridout, Andy; Giles, Katherine

2012-01-01

ICESat and Envisat altimetry data provide measurements of the instantaneous sea surface height (SSH) across the Arctic Ocean, using lead and open water elevation within the sea ice pack. First, these data were used to derive two independent mean sea surface (MSS) models by stacking and averaging along-track SSH profiles gathered between 2003 and 2009. The ICESat and Envisat MSS data were combined to construct the high-resolution ICEn MSS. Second, we estimate the 5.5-year mean dynamic topography (MDT) of the Arctic Ocean by differencing the ICEn MSS with the new GOCO02S geoid model, derived from GRACE and GOCE gravity. Using these satellite-only data we map the major features of Arctic Ocean dynamical height that are consistent with in situ observations, including the topographical highs and lows of the Beaufort and Greenland Gyres, respectively. Smaller-scale MDT structures remain largely unresolved due to uncertainties in the geoid at short wavelengths.

Effect of adjuvant physical properties on spray characteristics

USDA-ARS?s Scientific Manuscript database

The effects of adjuvant physical properties on spray characteristics were studied. Dynamic surface tension was measured with a Sensa Dyne surface tensiometer 6000 using the maximum bubble pressure method. Viscosity was measured with a Brookfield synchro-lectric viscometer model LVT using a UL adap...

Stratigraphic Signatures of Forearc Basin Formation Mechanisms

NASA Astrophysics Data System (ADS)

Mannu, U.; Ueda, K.; Gerya, T.; Willett, S.; Strasser, M.

2014-12-01

Forearc basins are loci of active sedimentation above the landward portion of accretionary prisms. Although these basins typically remain separated from the frontal prism by a forearc high, their evolution has a significant impact on the structure and deformation of the entire wedge. Formation of forearc basins has been proposed as a consequence of changes in wedge stability due to an increase of slab dip in subduction zones. Another hypothesis attributes this to higher hinterland sedimentation, which causes the rear of the wedge to stabilize and eventually develop a forearc basin. Basin stratigraphic architecture, revealed by high-resolution reflection seismic data and borehole data allows interpretation of structural development of the accretionary prism and associated basins with the goal of determining the underlying driving mechanism(s) of basin formation. In this study we supplement data interpretation with thermo-mechanical numerical models including high-resolution isochronal surface tracking to visualize the developing stratigraphy of basins that develop in subduction zone and wedge dynamic models. We use a dynamic 2D thermo mechanical model incorporating surface processes, strain weakening and sediment subduction. The model is a modification of I2VIS model, which is based on conservative, fully staggered finite differences and a non-diffusive marker- in-cell technique capable of modelling mantle convection. In the model different driving mechanisms for basin formation can be explored. Stratigraphic simulations obtained by isochronal surface tracking are compared to reflection pattern and stratigraphy of seismic and borehole data, respectively. Initial results from a model roughly representing the Nankai Trough Subduction Zone offshore Japan are compared to available seismic and Integrated Ocean Drilling (IODP) data. A calibrated model predicting forearc basin stratigraphy will be used to discern the underlying process of basins formation and wedge dynamics.

Comparison of Hard Surface and Soft Soil Impact Performance of a Crashworthy Composite Fuselage Concept

NASA Technical Reports Server (NTRS)

Sareen, Ashish K.; Sparks, Chad; Mullins, B. R., Jr.; Fasanella, Edwin; Jackson, Karen

2002-01-01

A comparison of the soft soil and hard surface impact performance of a crashworthy composite fuselage concept has been performed. Specifically, comparisons of the peak acceleration values, pulse duration, and onset rate at specific locations on the fuselage were evaluated. In a prior research program, the composite fuselage section was impacted at 25 feet per second onto concrete at the Impact Dynamics Research Facility (IDRF) at NASA Langley Research Center. A soft soil test was conducted at the same impact velocity as a part of the NRTC/RITA Crashworthy and Energy Absorbing Structures project. In addition to comparisons of soft soil and hard surface test results, an MSC. Dytran dynamic finite element model was developed to evaluate the test analysis correlation. In addition, modeling parameters and techniques affecting test analysis correlation are discussed. Once correlated, the analytical methodology will be used in follow-on work to evaluate the specific energy absorption of various subfloor concepts for improved crash protection during hard surface and soft soil impacts.

Dynamic Gas Flow Effects on the ESD of Aerospace Vehicle Surfaces

NASA Technical Reports Server (NTRS)

Hogue, Michael D.; Cox, Rachel E.; Mulligan, Jaysen; Ahmed, Kareem; Wilson, Jennifer G.; Calle, Luz M.

2017-01-01

The purpose of this work is to develop a version of Paschen's Law that takes into account the flow of ambient gas past electrode surfaces. Paschen's Law does not consider the flow of gas past an aerospace vehicle, whose surfaces may be triboelectrically charged by dust or ice crystal impingement while traversing the atmosphere. The basic hypothesis of this work is that the number of electron-ion pairs created per unit distance between electrode surfaces is mitigated by the electron-ion pairs removed per unit distance by the flow of gas. The revised theoretical model must be a function of the mean velocity, v (sub xm), of the ambient gas and reduce to Paschen's law when the gas mean velocity, v (sub xm) equals 0. A new theoretical formulation of Paschen's Law, taking into account the Mach number and dynamic pressure, derived by the authors, will be discussed. This equation was evaluated by wind tunnel experimentation whose results were consistent with the model hypothesis.

Forecasting experiments of a dynamical-statistical model of the sea surface temperature anomaly field based on the improved self-memorization principle

NASA Astrophysics Data System (ADS)

Hong, Mei; Chen, Xi; Zhang, Ren; Wang, Dong; Shen, Shuanghe; Singh, Vijay P.

2018-04-01

With the objective of tackling the problem of inaccurate long-term El Niño-Southern Oscillation (ENSO) forecasts, this paper develops a new dynamical-statistical forecast model of the sea surface temperature anomaly (SSTA) field. To avoid single initial prediction values, a self-memorization principle is introduced to improve the dynamical reconstruction model, thus making the model more appropriate for describing such chaotic systems as ENSO events. The improved dynamical-statistical model of the SSTA field is used to predict SSTA in the equatorial eastern Pacific and during El Niño and La Niña events. The long-term step-by-step forecast results and cross-validated retroactive hindcast results of time series T1 and T2 are found to be satisfactory, with a Pearson correlation coefficient of approximately 0.80 and a mean absolute percentage error (MAPE) of less than 15 %. The corresponding forecast SSTA field is accurate in that not only is the forecast shape similar to the actual field but also the contour lines are essentially the same. This model can also be used to forecast the ENSO index. The temporal correlation coefficient is 0.8062, and the MAPE value of 19.55 % is small. The difference between forecast results in spring and those in autumn is not high, indicating that the improved model can overcome the spring predictability barrier to some extent. Compared with six mature models published previously, the present model has an advantage in prediction precision and length, and is a novel exploration of the ENSO forecast method.

Unravelling the Impacts of Climate and People on Vegetation Dynamics in the Sahel 1982- 2002

NASA Astrophysics Data System (ADS)

Seaquist, J. W.; Hickler, T.; Eklundh, L.; Ardö, J.; Heumann, B. W.

2009-05-01

Satellite sensors have recently shown that much of the Sahel belt of north Africa has experienced significant increases in photosynthetic activity since the early 1980s. This has reignited old debates about the role that people play in shaping land surface status at broad geographical extents. If the human 'footprint' on Sahel vegetation dynamics is measurable, then such impacts may be significant enough alter broad-scale both carbon budgets and climate via land surface atmosphere feedbacks. We test the hypothesis that people have had a measurable impact on vegetation dynamics in the Sahel for the period 1982-2002. We accomplish this by mapping the agreement between potential natural vegetation dynamics predicted by a process-based ecosystem model (Lund Potsdam Jena-Dynamic Global Vegetation Model) and satellite-derived greenness observations (Global Inventory Modelling and Mapping Studies data set) across a geographic grid at a spatial resolution of 0.5 degrees. We then relate this agreement metric to state-of-the-art data sets on demographics, pasture, and cropping. Demographic and agricultural pressures in the Sahel are unable to account for differences between simulated and observed vegetation dynamics, even for the most densely populated areas. But we do identify a weak, positive correlation between data-model agreement and pasture intensity at the Sahel-wide level. This indicates that herding or grazing does not appreciably affect vegetation dynamics in the region. Either people have not had a significant impact on vegetation dynamics in the Sahel or the identification of a human 'footprint' is precluded by inconsistent or subtle vegetation response to complex socio-environmental interactions, and/or limitations in the data used for this study. This research showcases untapped potential for combining ecosystem process models with remote sensing at broad spatial extents for examining the underlying causes of ecosystem change.

A new concept for simulation of vegetated land surface dynamics - Part 1: The event driven phenology model

NASA Astrophysics Data System (ADS)

Kovalskyy, V.; Henebry, G. M.

2012-01-01

Phenologies of the vegetated land surface are being used increasingly for diagnosis and prognosis of climate change consequences. Current prospective and retrospective phenological models stand far apart in their approaches to the subject. We report on an exploratory attempt to implement a phenological model based on a new event driven concept which has both diagnostic and prognostic capabilities in the same modeling framework. This Event Driven Phenological Model (EDPM) is shown to simulate land surface phenologies and phenophase transition dates in agricultural landscapes based on assimilation of weather data and land surface observations from spaceborne sensors. The model enables growing season phenologies to develop in response to changing environmental conditions and disturbance events. It also has the ability to ingest remotely sensed data to adjust its output to improve representation of the modeled variable. We describe the model and report results of initial testing of the EDPM using Level 2 flux tower records from the Ameriflux sites at Mead, Nebraska, USA, and at Bondville, Illinois, USA. Simulating the dynamics of normalized difference vegetation index based on flux tower data, the predictions by the EDPM show good agreement (RMSE < 0.08; r2 > 0.8) for maize and soybean during several growing seasons at different locations. This study presents the EDPM used in the companion paper (Kovalskyy and Henebry, 2011) in a coupling scheme to estimate daily actual evapotranspiration over multiple growing seasons.

A new concept for simulation of vegetated land surface dynamics - Part 1: The event driven phenology model

NASA Astrophysics Data System (ADS)

Kovalskyy, V.; Henebry, G. M.

2011-05-01

Phenologies of the vegetated land surface are being used increasingly for diagnosis and prognosis of climate change consequences. Current prospective and retrospective phenological models stand far apart in their approaches to the subject. We report on an exploratory attempt to implement a phenological model based on a new event driven concept which has both diagnostic and prognostic capabilities in the same modeling framework. This Event Driven Phenological Model (EDPM) is shown to simulate land surface phenologies and phenophase transition dates in agricultural landscapes based on assimilation of weather data and land surface observations from spaceborne sensors. The model enables growing season phenologies to develop in response to changing environmental conditions and disturbance events. It also has the ability to ingest remotely sensed data to adjust its output to improve representation of the modeled variable. We describe the model and report results of initial testing of the EDPM using Level 2 flux tower records from the Ameriflux sites at Mead, Nebraska, USA, and at Bondville, Illinois, USA. Simulating the dynamics of normalized difference vegetation index based on flux tower data, the predictions by the EDPM show good agreement (RMSE < 0.08; r2>0.8) for maize and soybean during several growing seasons at different locations. This study presents the EDPM used in the companion paper (Kovalskyy and Henebry, 2011) in a coupling scheme to estimate daily actual evapotranspiration over multiple growing seasons.

Implementing dynamic root optimization in Noah-MP for simulating phreatophytic root water uptake

USDA-ARS?s Scientific Manuscript database

Plants are known to adjust their root systems to adapt to changing subsurface water conditions. However, most current land surface models (LSMs) use a prescribed, static root profile, which cuts off the interactions between soil moisture and root dynamics. In this paper, we implemented an optimality...

Heat transfer and phase transitions of water in multi-layer cryolithozone-surface systems

NASA Astrophysics Data System (ADS)

Khabibullin, I. L.; Nigametyanova, G. A.; Nazmutdinov, F. F.

2018-01-01

A mathematical model for calculating the distribution of temperature and the dynamics of the phase transfor-mations of water in multilayer systems on permafrost-zone surface is proposed. The model allows one to perform calculations in the annual cycle, taking into account the distribution of temperature on the surface in warm and cold seasons. A system involving four layers, a snow or land cover, a top layer of soil, a layer of thermal-insulation materi-al, and a mineral soil, is analyzed. The calculations by the model allow one to choose the optimal thickness and com-position of the layers which would ensure the stability of structures built on the permafrost-zone surface.

Controlling Heterogeneous Catalysis of Water Dissociation Using Cu-Ni Bimetallic Alloy Surfaces: A Quantum Dynamics Study.

PubMed

Ray, Dhiman; Ghosh, Smita; Tiwari, Ashwani Kumar

2018-06-07

Copper-Nickel bimetallic alloys are emerging heterogeneous catalysts for water dissociation which is the rate determining step of industrially important Water Gas Shift (WGS) reaction. Yet, the detailed quantum dynamics studies of water-surface scattering in literature are limited to pure metal surfaces. We present here, a three dimensional wave-packet dynamics study of water dissociation on Cu-Ni alloy surfaces, using a pseudo diatomic model of water on a London-Eyring-Polanyi-Sato (LEPS) potential energy surface in order to study the effect of initial vibration, rotation and orientation of water molecule on reactivity. For all the chosen surfaces reactivity increases significantly with vibrational excitation. In general, for lower vibrational states the reactivity increases with increasing rotational excitation but it decreases in higher vibrational states. Molecular orientation strongly affects reactivity by helping the molecule to align along the reaction path at higher vibrational states. For different alloys, the reaction probability follows the trend of barrier heights and the surfaces having all Ni atoms in the uppermost layer are much more reactive than the ones with Cu atoms. Hence the nature of the alloy surface and initial quantum state of the incoming molecule significantly influence the reactivity in surface catalyzed water dissociation.

HOTS: A Hierarchy of Event-Based Time-Surfaces for Pattern Recognition.

PubMed

Lagorce, Xavier; Orchard, Garrick; Galluppi, Francesco; Shi, Bertram E; Benosman, Ryad B

2017-07-01

This paper describes novel event-based spatio-temporal features called time-surfaces and how they can be used to create a hierarchical event-based pattern recognition architecture. Unlike existing hierarchical architectures for pattern recognition, the presented model relies on a time oriented approach to extract spatio-temporal features from the asynchronously acquired dynamics of a visual scene. These dynamics are acquired using biologically inspired frameless asynchronous event-driven vision sensors. Similarly to cortical structures, subsequent layers in our hierarchy extract increasingly abstract features using increasingly large spatio-temporal windows. The central concept is to use the rich temporal information provided by events to create contexts in the form of time-surfaces which represent the recent temporal activity within a local spatial neighborhood. We demonstrate that this concept can robustly be used at all stages of an event-based hierarchical model. First layer feature units operate on groups of pixels, while subsequent layer feature units operate on the output of lower level feature units. We report results on a previously published 36 class character recognition task and a four class canonical dynamic card pip task, achieving near 100 percent accuracy on each. We introduce a new seven class moving face recognition task, achieving 79 percent accuracy.This paper describes novel event-based spatio-temporal features called time-surfaces and how they can be used to create a hierarchical event-based pattern recognition architecture. Unlike existing hierarchical architectures for pattern recognition, the presented model relies on a time oriented approach to extract spatio-temporal features from the asynchronously acquired dynamics of a visual scene. These dynamics are acquired using biologically inspired frameless asynchronous event-driven vision sensors. Similarly to cortical structures, subsequent layers in our hierarchy extract increasingly abstract features using increasingly large spatio-temporal windows. The central concept is to use the rich temporal information provided by events to create contexts in the form of time-surfaces which represent the recent temporal activity within a local spatial neighborhood. We demonstrate that this concept can robustly be used at all stages of an event-based hierarchical model. First layer feature units operate on groups of pixels, while subsequent layer feature units operate on the output of lower level feature units. We report results on a previously published 36 class character recognition task and a four class canonical dynamic card pip task, achieving near 100 percent accuracy on each. We introduce a new seven class moving face recognition task, achieving 79 percent accuracy.

Description and field analysis of a coupled ground-water/surface-water flow model (MODFLOW/BRANCH) with modifications for structures and wetlands in southern Dade County, Florida

USGS Publications Warehouse

Swain, E.D.; Howie, Barbara; Dixon, Joann

1996-01-01

A coupled surface-water model (BRANCH) and ground-water model (MODFLOW) model were tested to simulate the interacting wetlands/surface-water/ ground-water system of southern Dade County. Several options created for the MODFLOW ground- ground-water model were used in representing this field situation. The primary option is the MODBRANCH interfacing software, which allows leakage to be accounted for between the MODFLOW ground-water model and the BRANCH dynamic model for simulation of flow in an interconnected network of open channels. A modification to an existing software routine, which is referred to as BCF2, allows cells in MODFLOW to rewet when dry--a requirement in representing the seasonal wetlands in Dade County. A companion to BCF2 is the modified evapotranspiration routine EVT2. The EVT2 routine changes the cells where evapotranspiration occurs, depending on which cells are wet. The Streamlink package represents direct connections between the canals and wetlands at locations where canals open directly into overland flow. Within the BRANCH model, the capability to represent the numerous hydraulic structures, gated spillways, gated culverts, and pumps was added. The application of these modifications to model surface-water/ground-water interactions in southern Dade County demonstrated the usefulness of the coupled MODFLOW/BRANCH model. Ground-water and surface-water flows are both simulated with dynamic models. Flow exchange between models, intermittent wetting and drying, evapotranspiration, and hydraulic structure operations are all represented appropriately. Comparison was made with a simulation using the RIV1 package instead of MODBRANCH to represent the canals. RIV1 represents the canals by user-defined stages, and computes leakage to the aquifer. Greater accuracy in reproducing measured ground- water heads was achieved with MODBRANCH, which also computes dynamic flow conditions in the canals, unlike RIV1. The surface-water integrated flow and transport two-dimensional model (SWIFT2D) was also applied to the southeastern coastal wetlands for comparison with the wetlands flow approximation made in MODFLOW. MODFLOW simulates the wetlands as a highly conductive upper layer of the aquifer, whereas SWIFT2D solves the hydrodynamic equations. Comparison in this limited test demonstrated no specific advantage for either method of representation. However, much additional testing on a wider variety of geometric and hydraulic situations, such as in areas with greater tidal or other dynamic forcing effects, is needed to make definite conclusions. A submodel of the existing southern Dade County model schematization was used to examine water-delivery alternatives proposed by the U.S. Army Corps of Engineers. For this application, the coupled MODFLOW/BRANCH model was used as a design tool. A new canal and several pumps to be tested to maintain lower water levels in a residential area (while water levels in the Everglades are raised) were added to the model schematization. The pumps were assumed to have infinite supply capacity in the model so that their maximum pumping rates during the simulation could be used to determine pump sizes.

Magnetohydrodynamic Convection in the Outer Core and its Geodynamic Consequences

NASA Technical Reports Server (NTRS)

Kuang, Weijia; Chao, Benjamin F.; Fang, Ming

2004-01-01

The Earth's fluid outer core is in vigorous convection through much of the Earth's history. In addition to generating and maintaining Earth s time-varying magnetic field (geodynamo), the core convection also generates mass redistribution in the core and a dynamical pressure field on the core-mantle boundary (CMB). All these shall result in various core-mantle interactions, and contribute to surface geodynamic observables. For example, electromagnetic core-mantle coupling arises from finite electrically conducting lower mantle; gravitational interaction occurs between the cores and the heterogeneous mantle; mechanical coupling may also occur when the CMB topography is aspherical. Besides changing the mantle rotation via the coupling torques, the mass-redistribution in the core shall produce a spatial-temporal gravity anomaly. Numerical modeling of the core dynamical processes contributes in several geophysical disciplines. It helps explain the physical causes of surface geodynamic observables via space geodetic techniques and other means, e.g. Earth's rotation variation on decadal time scales, and secular time-variable gravity. Conversely, identification of the sources of the observables can provide additional insights on the dynamics of the fluid core, leading to better constraints on the physics in the numerical modeling. In the past few years, our core dynamics modeling efforts, with respect to our MoSST model, have made significant progress in understanding individual geophysical consequences. However, integrated studies are desirable, not only because of more mature numerical core dynamics models, but also because of inter-correlation among the geophysical phenomena, e.g. mass redistribution in the outer core produces not only time-variable gravity, but also gravitational core-mantle coupling and thus the Earth's rotation variation. They are expected to further facilitate multidisciplinary studies of core dynamics and interactions of the core with other components of the Earth.

Positive dwell time algorithm with minimum equal extra material removal in deterministic optical surfacing technology.

PubMed

Li, Longxiang; Xue, Donglin; Deng, Weijie; Wang, Xu; Bai, Yang; Zhang, Feng; Zhang, Xuejun

2017-11-10

In deterministic computer-controlled optical surfacing, accurate dwell time execution by computer numeric control machines is crucial in guaranteeing a high-convergence ratio for the optical surface error. It is necessary to consider the machine dynamics limitations in the numerical dwell time algorithms. In this paper, these constraints on dwell time distribution are analyzed, and a model of the equal extra material removal is established. A positive dwell time algorithm with minimum equal extra material removal is developed. Results of simulations based on deterministic magnetorheological finishing demonstrate the necessity of considering machine dynamics performance and illustrate the validity of the proposed algorithm. Indeed, the algorithm effectively facilitates the determinacy of sub-aperture optical surfacing processes.