Framework for scalable adsorbate–adsorbate interaction models

DOE PAGES

Hoffmann, Max J.; Medford, Andrew J.; Bligaard, Thomas

2016-06-02

Here, we present a framework for physically motivated models of adsorbate–adsorbate interaction between small molecules on transition and coinage metals based on modifications to the substrate electronic structure due to adsorption. We use this framework to develop one model for transition and one for coinage metal surfaces. The models for transition metals are based on the d-band center position, and the models for coinage metals are based on partial charges. The models require no empirical parameters, only two first-principles calculations per adsorbate as input, and therefore scale linearly with the number of reaction intermediates. By theory to theory comparison withmore » explicit density functional theory calculations over a wide range of adsorbates and surfaces, we show that the root-mean-squared error for differential adsorption energies is less than 0.2 eV for up to 1 ML coverage.« less

Three-dimensional hydrogeologic framework model for use with a steady-state numerical ground-water flow model of the Death Valley regional flow system, Nevada and California

USGS Publications Warehouse

Belcher, Wayne R.; Faunt, Claudia C.; D'Agnese, Frank A.

2002-01-01

The U.S. Geological Survey, in cooperation with the Department of Energy and other Federal, State, and local agencies, is evaluating the hydrogeologic characteristics of the Death Valley regional ground-water flow system. The ground-water flow system covers an area of about 100,000 square kilometers from latitude 35? to 38?15' North to longitude 115? to 118? West, with the flow system proper comprising about 45,000 square kilometers. The Death Valley regional ground-water flow system is one of the larger flow systems within the Southwestern United States and includes in its boundaries the Nevada Test Site, Yucca Mountain, and much of Death Valley. Part of this study includes the construction of a three-dimensional hydrogeologic framework model to serve as the foundation for the development of a steady-state regional ground-water flow model. The digital framework model provides a computer-based description of the geometry and composition of the hydrogeologic units that control regional flow. The framework model of the region was constructed by merging two previous framework models constructed for the Yucca Mountain Project and the Environmental Restoration Program Underground Test Area studies at the Nevada Test Site. The hydrologic characteristics of the region result from a currently arid climate and complex geology. Interbasinal regional ground-water flow occurs through a thick carbonate-rock sequence of Paleozoic age, a locally thick volcanic-rock sequence of Tertiary age, and basin-fill alluvium of Tertiary and Quaternary age. Throughout the system, deep and shallow ground-water flow may be controlled by extensive and pervasive regional and local faults and fractures. The framework model was constructed using data from several sources to define the geometry of the regional hydrogeologic units. These data sources include (1) a 1:250,000-scale hydrogeologic-map compilation of the region; (2) regional-scale geologic cross sections; (3) borehole information, and (4) gridded surfaces from a previous three-dimensional geologic model. In addition, digital elevation model data were used in conjunction with these data to define ground-surface altitudes. These data, properly oriented in three dimensions by using geographic information systems, were combined and gridded to produce the upper surfaces of the hydrogeologic units used in the flow model. The final geometry of the framework model is constructed as a volumetric model by incorporating the intersections of these gridded surfaces and by applying fault truncation rules to structural features from the geologic map and cross sections. The cells defining the geometry of the hydrogeologic framework model can be assigned several attributes such as lithology, hydrogeologic unit, thickness, and top and bottom altitudes.

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.

`Dhara': An Open Framework for Critical Zone Modeling

NASA Astrophysics Data System (ADS)

Le, P. V.; Kumar, P.

2016-12-01

Processes in the Critical Zone, which sustain terrestrial life, are tightly coupled across hydrological, physical, biological, chemical, pedological, geomorphological and ecological domains over both short and long timescales. Observations and quantification of the Earth's surface across these domains using emerging high resolution measurement technologies such as light detection and ranging (lidar) and hyperspectral remote sensing are enabling us to characterize fine scale landscape attributes over large spatial areas. This presents a unique opportunity to develop novel approaches to model the Critical Zone that can capture fine scale intricate dependencies across the different processes in 3D. The development of interdisciplinary tools that transcend individual disciplines and capture new levels of complexity and emergent properties is at the core of Critical Zone science. Here we introduce an open framework for high-performance computing model (`Dhara') for modeling complex processes in the Critical Zone. The framework is designed to be modular in structure with the aim to create uniform and efficient tools to facilitate and leverage process modeling. It also provides flexibility to maintain, collaborate, and co-develop additional components by the scientific community. We show the essential framework that simulates ecohydrologic dynamics, and surface - sub-surface coupling in 3D using hybrid parallel CPU-GPU. We demonstrate that the open framework in Dhara is feasible for detailed, multi-processes, and large-scale modeling of the Critical Zone, which opens up exciting possibilities. We will also present outcomes from a Modeling Summer Institute led by Intensively Managed Critical Zone Observatory (IMLCZO) with representation from several CZOs and international representatives.

Documentation for the MODFLOW 6 framework

USGS Publications Warehouse

Hughes, Joseph D.; Langevin, Christian D.; Banta, Edward R.

2017-08-10

MODFLOW is a popular open-source groundwater flow model distributed by the U.S. Geological Survey. Growing interest in surface and groundwater interactions, local refinement with nested and unstructured grids, karst groundwater flow, solute transport, and saltwater intrusion, has led to the development of numerous MODFLOW versions. Often times, there are incompatibilities between these different MODFLOW versions. The report describes a new MODFLOW framework called MODFLOW 6 that is designed to support multiple models and multiple types of models. The framework is written in Fortran using a modular object-oriented design. The primary framework components include the simulation (or main program), Timing Module, Solutions, Models, Exchanges, and Utilities. The first version of the framework focuses on numerical solutions, numerical models, and numerical exchanges. This focus on numerical models allows multiple numerical models to be tightly coupled at the matrix level.

Multi-dimensional modeling of atmospheric copper-sulfidation corrosion on non-planar substrates.

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

Chen, Ken Shuang

2004-11-01

This report documents the author's efforts in the deterministic modeling of copper-sulfidation corrosion on non-planar substrates such as diodes and electrical connectors. A new framework based on Goma was developed for multi-dimensional modeling of atmospheric copper-sulfidation corrosion on non-planar substrates. In this framework, the moving sulfidation front is explicitly tracked by treating the finite-element mesh as a pseudo solid with an arbitrary Lagrangian-Eulerian formulation and repeatedly performing re-meshing using CUBIT and re-mapping using MAPVAR. Three one-dimensional studies were performed for verifying the framework in asymptotic regimes. Limited model validation was also carried out by comparing computed copper-sulfide thickness with experimentalmore » data. The framework was first demonstrated in modeling one-dimensional copper sulfidation with charge separation. It was found that both the thickness of the space-charge layers and the electrical potential at the sulfidation surface decrease rapidly as the Cu{sub 2}S layer thickens initially but eventually reach equilibrium values as Cu{sub 2}S layer becomes sufficiently thick; it was also found that electroneutrality is a reasonable approximation and that the electro-migration flux may be estimated by using the equilibrium potential difference between the sulfidation and annihilation surfaces when the Cu{sub 2}S layer is sufficiently thick. The framework was then employed to model copper sulfidation in the solid-state-diffusion controlled regime (i.e. stage II sulfidation) on a prototypical diode until a continuous Cu{sub 2}S film was formed on the diode surface. The framework was also applied to model copper sulfidation on an intermittent electrical contact between a gold-plated copper pin and gold-plated copper pad; the presence of Cu{sub 2}S was found to raise the effective electrical resistance drastically. Lastly, future research needs in modeling atmospheric copper sulfidation are discussed.« less

Modelling cell motility and chemotaxis with evolving surface finite elements

PubMed Central

Elliott, Charles M.; Stinner, Björn; Venkataraman, Chandrasekhar

2012-01-01

We present a mathematical and a computational framework for the modelling of cell motility. The cell membrane is represented by an evolving surface, with the movement of the cell determined by the interaction of various forces that act normal to the surface. We consider external forces such as those that may arise owing to inhomogeneities in the medium and a pressure that constrains the enclosed volume, as well as internal forces that arise from the reaction of the cells' surface to stretching and bending. We also consider a protrusive force associated with a reaction–diffusion system (RDS) posed on the cell membrane, with cell polarization modelled by this surface RDS. The computational method is based on an evolving surface finite-element method. The general method can account for the large deformations that arise in cell motility and allows the simulation of cell migration in three dimensions. We illustrate applications of the proposed modelling framework and numerical method by reporting on numerical simulations of a model for eukaryotic chemotaxis and a model for the persistent movement of keratocytes in two and three space dimensions. Movies of the simulated cells can be obtained from http://homepages.warwick.ac.uk/∼maskae/CV_Warwick/Chemotaxis.html. PMID:22675164

Investigating impacts of natural and human-induced environmental changes on hydrological processes and flood hazards using a GIS-based hydrological/hydraulic model and remote sensing data

NASA Astrophysics Data System (ADS)

Wang, Lei

Natural and human-induced environmental changes have been altering the earth's surface and hydrological processes, and thus directly contribute to the severity of flood hazards. To understand these changes and their impacts, this research developed a GIS-based hydrological and hydraulic modeling system, which incorporates state-of-the-art remote sensing data to simulate flood under various scenarios. The conceptual framework and technical issues of incorporating multi-scale remote sensing data have been addressed. This research develops an object-oriented hydrological modeling framework. Compared with traditional lumped or cell-based distributed hydrological modeling frameworks, the object-oriented framework allows basic spatial hydrologic units to have various size and irregular shape. This framework is capable of assimilating various GIS and remotely-sensed data with different spatial resolutions. It ensures the computational efficiency, while preserving sufficient spatial details of input data and model outputs. Sensitivity analysis and comparison of high resolution LIDAR DEM with traditional USGS 30m resolution DEM suggests that the use of LIDAR DEMs can greatly reduce uncertainty in calibration of flow parameters in the hydrologic model and hence increase the reliability of modeling results. In addition, subtle topographic features and hydrologic objects like surface depressions and detention basins can be extracted from the high resolution LiDAR DEMs. An innovative algorithm has been developed to efficiently delineate surface depressions and detention basins from LiDAR DEMs. Using a time series of Landsat images, a retrospective analysis of surface imperviousness has been conducted to assess the hydrologic impact of urbanization. The analysis reveals that with rapid urbanization the impervious surface has been increased from 10.1% to 38.4% for the case study area during 1974--2002. As a result, the peak flow for a 100-year flood event has increased by 20% and the floodplain extent has expanded by about 21.6%. The quantitative analysis suggests that the large regional detentions basins have effectively offset the adverse effect of increased impervious surface during the urbanization process. Based on the simulation and scenario analyses of land subsidence and potential climate changes, some planning measures and policy implications have been derived for guiding smart urban growth and sustainable resource development and management to minimize flood hazards.

Adapting a Framework for Assessing Students' Approaches to Modeling

ERIC Educational Resources Information Center

Bennett, Steven Carl

2017-01-01

We used an "approach to learning" theoretical framework to explicate the ways students engage in scientific modeling. Approach to learning theory suggests that when students approach learning deeply, they link science concepts with prior knowledge and experiences. Conversely, when students engage in a surface approach to learning, they…

Quantifying the drivers of ocean-atmosphere CO2 fluxes

NASA Astrophysics Data System (ADS)

Lauderdale, Jonathan M.; Dutkiewicz, Stephanie; Williams, Richard G.; Follows, Michael J.

2016-07-01

A mechanistic framework for quantitatively mapping the regional drivers of air-sea CO2 fluxes at a global scale is developed. The framework evaluates the interplay between (1) surface heat and freshwater fluxes that influence the potential saturated carbon concentration, which depends on changes in sea surface temperature, salinity and alkalinity, (2) a residual, disequilibrium flux influenced by upwelling and entrainment of remineralized carbon- and nutrient-rich waters from the ocean interior, as well as rapid subduction of surface waters, (3) carbon uptake and export by biological activity as both soft tissue and carbonate, and (4) the effect on surface carbon concentrations due to freshwater precipitation or evaporation. In a steady state simulation of a coarse-resolution ocean circulation and biogeochemistry model, the sum of the individually determined components is close to the known total flux of the simulation. The leading order balance, identified in different dynamical regimes, is between the CO2 fluxes driven by surface heat fluxes and a combination of biologically driven carbon uptake and disequilibrium-driven carbon outgassing. The framework is still able to reconstruct simulated fluxes when evaluated using monthly averaged data and takes a form that can be applied consistently in models of different complexity and observations of the ocean. In this way, the framework may reveal differences in the balance of drivers acting across an ensemble of climate model simulations or be applied to an analysis and interpretation of the observed, real-world air-sea flux of CO2.

Modeling of surface effects in crystalline materials within the framework of gradient crystal plasticity

NASA Astrophysics Data System (ADS)

Peng, Xiang-Long; Husser, Edgar; Huang, Gan-Yun; Bargmann, Swantje

2018-03-01

A finite-deformation gradient crystal plasticity theory is developed, which takes into account the interaction between dislocations and surfaces. The model captures both energetic and dissipative effects for surfaces penetrable by dislocations. By taking advantage of the principle of virtual power, the surface microscopic boundary equations are obtained naturally. Surface equations govern surface yielding and hardening. A thin film under shear deformation serves as a benchmark problem for validation of the proposed model. It is found that both energetic and dissipative surface effects significantly affect the plastic behavior.

A 3-step framework for understanding the added value of surface soil moisture measurements for large-scale runoff prediction via data assimilation - a synthetic study in the Arkansas-Red River basin

NASA Astrophysics Data System (ADS)

Mao, Y.; Crow, W. T.; Nijssen, B.

2017-12-01

Soil moisture (SM) plays an important role in runoff generation both by partitioning infiltration and surface runoff during rainfall events and by controlling the rate of subsurface flow during inter-storm periods. Therefore, more accurate SM state estimation in hydrologic models is potentially beneficial for streamflow prediction. Various previous studies have explored the potential of assimilating SM data into hydrologic models for streamflow improvement. These studies have drawn inconsistent conclusions, ranging from significantly improved runoff via SM data assimilation (DA) to limited or degraded runoff. These studies commonly treat the whole assimilation procedure as a black box without separating the contribution of each step in the procedure, making it difficult to attribute the underlying causes of runoff improvement (or the lack thereof). In this study, we decompose the overall DA process into three steps by answering the following questions (3-step framework): 1) how much can assimilation of surface SM measurements improve surface SM state in a hydrologic model? 2) how much does surface SM improvement propagate to deeper layers? 3) How much does (surface and deeper-layer) SM improvement propagate into runoff improvement? A synthetic twin experiment is carried out in the Arkansas-Red River basin ( 600,000 km2) where a synthetic "truth" run, an open-loop run (without DA) and a DA run (where synthetic surface SM measurements are assimilated) are generated. All model runs are performed at 1/8 degree resolution and over a 10-year period using the Variable Infiltration Capacity (VIC) hydrologic model at a 3-hourly time step. For the DA run, the ensemble Kalman filter (EnKF) method is applied. The updated surface and deeper-layer SM states with DA are compared to the open-loop SM to quantitatively evaluate the first two steps in the framework. To quantify the third step, a set of perfect-state runs are generated where the "true" SM states are directly inserted in the model to assess the maximum possible runoff improvement that can be achieved by improving SM states alone. Our results show that the 3-step framework is able to effectively identify the potential as well as bottleneck of runoff improvement and point out the cases where runoff improvement via assimilation of surface SM is prone to failure.

Development and Implementation of the DTOPLATS-MP land surface model over the Continental US at 30 meters

NASA Astrophysics Data System (ADS)

Chaney, N.; Wood, E. F.

2014-12-01

The increasing accessibility of high-resolution land data (< 100 m) and high performance computing allows improved parameterizations of subgrid hydrologic processes in macroscale land surface models. Continental scale fully distributed modeling at these spatial scales is possible; however, its practicality for operational use is still unknown due to uncertainties in input data, model parameters, and storage requirements. To address these concerns, we propose a modeling framework that provides the spatial detail of a fully distributed model yet maintains the benefits of a semi-distributed model. In this presentation we will introduce DTOPLATS-MP, a coupling between the NOAH-MP land surface model and the Dynamic TOPMODEL hydrologic model. This new model captures a catchment's spatial heterogeneity by clustering high-resolution land datasets (soil, topography, and land cover) into hundreds of hydrologic similar units (HSUs). A prior DEM analysis defines the connections between each HSU. At each time step, the 1D land surface model updates each HSU; the HSUs then interact laterally via the subsurface and surface. When compared to the fully distributed form of the model, this framework allows a significant decrease in computation and storage while providing most of the same information and enabling parameter transferability. As a proof of concept, we will show how this new modeling framework can be run over CONUS at a 30-meter spatial resolution. For each catchment in the WBD HUC-12 dataset, the model is run between 2002 and 2012 using available high-resolution continental scale land and meteorological datasets over CONUS (dSSURGO, NLCD, NED, and NCEP Stage IV). For each catchment, the model is run with 1000 model parameter sets obtained from a Latin hypercube sample. This exercise will illustrate the feasibility of running the model operationally at continental scales while accounting for model parameter uncertainty.

Comprehensive, Process-based Identification of Hydrologic Models using Satellite and In-situ Water Storage Data: A Multi-objective calibration Approach

NASA Astrophysics Data System (ADS)

Abdo Yassin, Fuad; Wheater, Howard; Razavi, Saman; Sapriza, Gonzalo; Davison, Bruce; Pietroniro, Alain

2015-04-01

The credible identification of vertical and horizontal hydrological components and their associated parameters is very challenging (if not impossible) by only constraining the model to streamflow data, especially in regions where the vertical processes significantly dominate the horizontal processes. The prairie areas of the Saskatchewan River basin, a major water system in Canada, demonstrate such behavior, where the hydrologic connectivity and vertical fluxes are mainly controlled by the amount of surface and sub-surface water storages. In this study, we develop a framework for distributed hydrologic model identification and calibration that jointly constrains the model response (i.e., streamflows) as well as a set of model state variables (i.e., water storages) to observations. This framework is set up in the form of multi-objective optimization, where multiple performance criteria are defined and used to simultaneously evaluate the fidelity of the model to streamflow observations and observed (estimated) changes of water storage in the gridded landscape over daily and monthly time scales. The time series of estimated changes in total water storage (including soil, canopy, snow and pond storages) used in this study were derived from an experimental study enhanced by the information obtained from the GRACE satellite. We test this framework on the calibration of a Land Surface Scheme-Hydrology model, called MESH (Modélisation Environmentale Communautaire - Surface and Hydrology), for the Saskatchewan River basin. Pareto Archived Dynamically Dimensioned Search (PA-DDS) is used as the multi-objective optimization engine. The significance of using the developed framework is demonstrated in comparison with the results obtained through a conventional calibration approach to streamflow observations. The approach of incorporating water storage data into the model identification process can more potentially constrain the posterior parameter space, more comprehensively evaluate the model fidelity, and yield more credible predictions.

Numerical investigation of interactions between marine atmospheric boundary layer and offshore wind farm

NASA Astrophysics Data System (ADS)

Lyu, Pin; Chen, Wenli; Li, Hui; Shen, Lian

2017-11-01

In recent studies, Yang, Meneveau & Shen (Physics of Fluids, 2014; Renewable Energy, 2014) developed a hybrid numerical framework for simulation of offshore wind farm. The framework consists of simulation of nonlinear surface waves using a high-order spectral method, large-eddy simulation of wind turbulence on a wave-surface-fitted curvilinear grid, and an actuator disk model for wind turbines. In the present study, several more precise wind turbine models, including the actuator line model, actuator disk model with rotation, and nacelle model, are introduced into the computation. Besides offshore wind turbines on fixed piles, the new computational framework has the capability to investigate the interaction among wind, waves, and floating wind turbines. In this study, onshore, offshore fixed pile, and offshore floating wind farms are compared in terms of flow field statistics and wind turbine power extraction rate. The authors gratefully acknowledge financial support from China Scholarship Council (No. 201606120186) and the Institute on the Environment of University of Minnesota.

Geomechanical Modeling of Gas Hydrate Bearing Sediments

NASA Astrophysics Data System (ADS)

Sanchez, M. J.; Gai, X., Sr.

2015-12-01

This contribution focuses on an advance geomechanical model for methane hydrate-bearing soils based on concepts of elasto-plasticity for strain hardening/softening soils and incorporates bonding and damage effects. The core of the proposed model includes: a hierarchical single surface critical state framework, sub-loading concepts for modeling the plastic strains generally observed inside the yield surface and a hydrate enhancement factor to account for the cementing effects provided by the presence of hydrates in sediments. The proposed framework has been validated against recently published experiments involving both, synthetic and natural hydrate soils, as well as different sediments types (i.e., different hydrate saturations, and different hydrates morphologies) and confinement conditions. The performance of the model in these different case studies was very satisfactory.

Population analysis of the cingulum bundle using the tubular surface model for schizophrenia detection

NASA Astrophysics Data System (ADS)

Mohan, Vandana; Sundaramoorthi, Ganesh; Kubicki, Marek; Terry, Douglas; Tannenbaum, Allen

2010-03-01

We propose a novel framework for population analysis of DW-MRI data using the Tubular Surface Model. We focus on the Cingulum Bundle (CB) - a major tract for the Limbic System and the main connection of the Cingulate Gyrus, which has been associated with several aspects of Schizophrenia symptomatology. The Tubular Surface Model represents a tubular surface as a center-line with an associated radius function. It provides a natural way to sample statistics along the length of the fiber bundle and reduces the registration of fiber bundle surfaces to that of 4D curves. We apply our framework to a population of 20 subjects (10 normal, 10 schizophrenic) and obtain excellent results with neural network based classification (90% sensitivity, 95% specificity) as well as unsupervised clustering (k-means). Further, we apply statistical analysis to the feature data and characterize the discrimination ability of local regions of the CB, as a step towards localizing CB regions most relevant to Schizophrenia.

Parameterization models for pesticide exposure via crop consumption.

PubMed

Fantke, Peter; Wieland, Peter; Juraske, Ronnie; Shaddick, Gavin; Itoiz, Eva Sevigné; Friedrich, Rainer; Jolliet, Olivier

2012-12-04

An approach for estimating human exposure to pesticides via consumption of six important food crops is presented that can be used to extend multimedia models applied in health risk and life cycle impact assessment. We first assessed the variation of model output (pesticide residues per kg applied) as a function of model input variables (substance, crop, and environmental properties) including their possible correlations using matrix algebra. We identified five key parameters responsible for between 80% and 93% of the variation in pesticide residues, namely time between substance application and crop harvest, degradation half-lives in crops and on crop surfaces, overall residence times in soil, and substance molecular weight. Partition coefficients also play an important role for fruit trees and tomato (Kow), potato (Koc), and lettuce (Kaw, Kow). Focusing on these parameters, we develop crop-specific models by parametrizing a complex fate and exposure assessment framework. The parametric models thereby reflect the framework's physical and chemical mechanisms and predict pesticide residues in harvest using linear combinations of crop, crop surface, and soil compartments. Parametric model results correspond well with results from the complex framework for 1540 substance-crop combinations with total deviations between a factor 4 (potato) and a factor 66 (lettuce). Predicted residues also correspond well with experimental data previously used to evaluate the complex framework. Pesticide mass in harvest can finally be combined with reduction factors accounting for food processing to estimate human exposure from crop consumption. All parametric models can be easily implemented into existing assessment frameworks.

Challenges in soil erosion research and prediction model development

USDA-ARS?s Scientific Manuscript database

Quantification of soil erosion has been traditionally considered as a surface hydrologic process with equations for soil detachment and sediment transport derived from the mechanics and hydraulics of the rainfall and surface flow. Under the current erosion modeling framework, the soil has a constant...

A conceptual framework for ranking crown fire potential in wildland fuelbeds.

Treesearch

Mark D. Schaaf; David V. Sandberg; Maarten D. Schreuder; Cynthia L. Riccardi

2007-01-01

This paper presents a conceptual framework for ranking the crown fire potential of wildland fuelbeds with forest canopies. This approach extends the work by Van Wagner and Rothermel, and introduces several new physical concepts to the modeling of crown fire behavior derived from the reformulated Rothemel surface fire modeling concepts proposed by Sandberg et al. This...

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

NASA Astrophysics Data System (ADS)

Mathew, Kiran; Sundararaman, Ravishankar; Letchworth-Weaver, Kendra; Arias, T. A.; Hennig, Richard G.

2014-02-01

Solid-liquid interfaces are at the heart of many modern-day technologies and provide a challenge to many materials simulation methods. A realistic first-principles computational study of such systems entails the inclusion of solvent effects. In this work, we implement an implicit solvation model that has a firm theoretical foundation into the widely used density-functional code Vienna ab initio Software Package. The implicit solvation model follows the framework of joint density functional theory. We describe the framework, our algorithm and implementation, and benchmarks for small molecular systems. We apply the solvation model to study the surface energies of different facets of semiconducting and metallic nanocrystals and the SN2 reaction pathway. We find that solvation reduces the surface energies of the nanocrystals, especially for the semiconducting ones and increases the energy barrier of the SN2 reaction.

A FRAMEWORK TO DESIGN AND OPTIMIZE CHEMICAL FLOODING PROCESSES

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

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2005-07-01

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

A Framework to Design and Optimize Chemical Flooding Processes

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

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2006-08-31

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

A FRAMEWORK TO DESIGN AND OPTIMIZE CHEMICAL FLOODING PROCESSES

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

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2004-11-01

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

[A preliminary study on the forming quality of titanium alloy removable partial denture frameworks fabricated by selective laser melting].

PubMed

Liu, Y F; Yu, H; Wang, W N; Gao, B

2017-06-09

Objective: To evaluate the processing accuracy, internal quality and suitability of the titanium alloy frameworks of removable partial denture (RPD) fabricated by selective laser melting (SLM) technique, and to provide reference for clinical application. Methods: The plaster model of one clinical patient was used as the working model, and was scanned and reconstructed into a digital working model. A RPD framework was designed on it. Then, eight corresponding RPD frameworks were fabricated using SLM technique. Three-dimensional (3D) optical scanner was used to scan and obtain the 3D data of the frameworks and the data was compared with the original computer aided design (CAD) model to evaluate their processing precision. The traditional casting pure titanium frameworks was used as the control group, and the internal quality was analyzed by X-ray examination. Finally, the fitness of the frameworks was examined on the plaster model. Results: The overall average deviation of the titanium alloy RPD framework fabricated by SLM technology was (0.089±0.076) mm, the root mean square error was 0.103 mm. No visible pores, cracks and other internal defects was detected in the frameworks. The framework fits on the plaster model completely, and its tissue surface fitted on the plaster model well. There was no obvious movement. Conclusions: The titanium alloy RPD framework fabricated by SLM technology is of good quality.

Landlab: A numerical modeling framework for evolving Earth surfaces from mountains to the coast

NASA Astrophysics Data System (ADS)

Gasparini, N. M.; Adams, J. M.; Tucker, G. E.; Hobley, D. E. J.; Hutton, E.; Istanbulluoglu, E.; Nudurupati, S. S.

2016-02-01

Landlab is an open-source, user-friendly, component-based modeling framework for exploring the evolution of Earth's surface. Landlab itself is not a model. Instead, it is a computational framework that facilitates the development of numerical models of coupled earth surface processes. The Landlab Python library includes a gridding engine and process components, along with support functions for tasks such as reading in DEM data and input variables, setting boundary conditions, and plotting and outputting data. Each user of Landlab builds his or her own unique model. The first step in building a Landlab model is generally initializing a grid, either regular (raster) or irregular (e.g. delaunay or radial), and process components. This initialization process involves reading in relevant parameter values and data. The process components act on the grid to alter grid properties over time. For example, a component exists that can track the growth, death, and succession of vegetation over time. There are also several components that evolve surface elevation, through processes such as fluvial sediment transport and linear diffusion, among others. Users can also build their own process components, taking advantage of existing functions in Landlab such as those that identify grid connectivity and calculate gradients and flux divergence. The general nature of the framework makes it applicable to diverse environments - from bedrock rivers to a pile of sand - and processes acting over a range of spatial and temporal scales. In this poster we illustrate how a user builds a model using Landlab and propose a number of ways in which Landlab can be applied in coastal environments - from dune migration to channelization of barrier islands. We seek input from the coastal community as to how the process component library can be expanded to explore the diverse phenomena that act to shape coastal environments.

The Effect of Subsurface Parameterizations on Modeled Flows in the Catchment Land Surface Model, Fortuna 2.5

NASA Astrophysics Data System (ADS)

Roningen, J. M.; Eylander, J. B.

2014-12-01

Groundwater use and management is subject to economic, legal, technical, and informational constraints and incentives at a variety of spatial and temporal scales. Planned and de facto management practices influenced by tax structures, legal frameworks, and agricultural and trade policies that vary at the country scale may have medium- and long-term effects on the ability of a region to support current and projected agricultural and industrial development. USACE is working to explore and develop global-scale, physically-based frameworks to serve as a baseline for hydrologic policy comparisons and consequence assessment, and such frameworks must include a reasonable representation of groundwater systems. To this end, we demonstrate the effects of different subsurface parameterizations, scaling, and meteorological forcings on surface and subsurface components of the Catchment Land Surface Model Fortuna v2.5 (Koster et al. 2000). We use the Land Information System 7 (Kumar et al. 2006) to process model runs using meteorological components of the Air Force Weather Agency's AGRMET forcing data from 2006 through 2011. Seasonal patterns and trends are examined in areas of the Upper Nile basin, northern China, and the Mississippi Valley. We also discuss the relevance of the model's representation of the catchment deficit with respect to local hydrogeologic structures.

[Computer aided design for fixed partial denture framework based on reverse engineering technology].

PubMed

Sun, Yu-chun; Lü, Pei-jun; Wang, Yong

2006-03-01

To explore a computer aided design (CAD) route for the framework of domestic fixed partial denture (FPD) and confirm the suitable method of 3-D CAD. The working area of a dentition model was scanned with a 3-D mechanical scanner. Using the reverse engineering (RE) software, margin and border curves were extracted and several reference curves were created to ensure the dimension and location of pontic framework that was taken from the standard database. The shoulder parts of the retainers were created after axial surfaces constructed. The connecting areas, axial line and curving surface of the framework connector were finally created. The framework of a three-unit FPD was designed with RE technology, which showed smooth surfaces and continuous contours. The design route is practical. The result of this study is significant in theory and practice, which will provide a reference for establishing the computer aided design/computer aided manufacture (CAD/CAM) system of domestic FPD.

CAMx Ozone Source Attribution in the Eastern United States using Guidance from Observations during DISCOVER-AQ Maryland

PubMed Central

Goldberg, Daniel L.; Vinciguerra, Timothy P.; Anderson, Daniel C.; Hembeck, Linda; Canty, Timothy P.; Ehrman, Sheryl H.; Martins, Douglas K.; Stauffer, Ryan M.; Thompson, Anne M.; Salawitch, Ross J.; Dickerson, Russell R.

2018-01-01

A Comprehensive Air-Quality Model with Extensions (CAMx) version 6.10 simulation was assessed through comparison with data acquired during NASA’s 2011 DISCOVER-AQ Maryland field campaign. Comparisons for the baseline simulation (CB05 chemistry, EPA 2011 National Emissions Inventory) show a model overestimate of NOy by +86.2% and an underestimate of HCHO by −28.3%. We present a new model framework (CB6r2 chemistry, MEGAN v2.1 biogenic emissions, 50% reduction in mobile NOx, enhanced representation of isoprene nitrates) that better matches observations. The new model framework attributes 31.4% more surface ozone in Maryland to electric generating units (EGUs) and 34.6% less ozone to on-road mobile sources. Surface ozone becomes more NOx-limited throughout the eastern United States compared to the baseline simulation. The baseline model therefore likely underestimates the effectiveness of anthropogenic NOx reductions as well as the current contribution of EGUs to surface ozone. PMID:29618849

CAMx Ozone Source Attribution in the Eastern United States using Guidance from Observations during DISCOVER-AQ Maryland.

PubMed

Goldberg, Daniel L; Vinciguerra, Timothy P; Anderson, Daniel C; Hembeck, Linda; Canty, Timothy P; Ehrman, Sheryl H; Martins, Douglas K; Stauffer, Ryan M; Thompson, Anne M; Salawitch, Ross J; Dickerson, Russell R

2016-03-16

A Comprehensive Air-Quality Model with Extensions (CAMx) version 6.10 simulation was assessed through comparison with data acquired during NASA's 2011 DISCOVER-AQ Maryland field campaign. Comparisons for the baseline simulation (CB05 chemistry, EPA 2011 National Emissions Inventory) show a model overestimate of NO y by +86.2% and an underestimate of HCHO by -28.3%. We present a new model framework (CB6r2 chemistry, MEGAN v2.1 biogenic emissions, 50% reduction in mobile NO x , enhanced representation of isoprene nitrates) that better matches observations. The new model framework attributes 31.4% more surface ozone in Maryland to electric generating units (EGUs) and 34.6% less ozone to on-road mobile sources. Surface ozone becomes more NO x -limited throughout the eastern United States compared to the baseline simulation. The baseline model therefore likely underestimates the effectiveness of anthropogenic NO x reductions as well as the current contribution of EGUs to surface ozone.

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.

Camx Ozone Source Attribution in the Eastern United States Using Guidance from Observations During DISCOVER-AQ Maryland

NASA Technical Reports Server (NTRS)

Goldberg, Daniel L.; Vinciguerra, Timothy P.; Anderson, Daniel C.; Hembeck, Linda; Canty, Timothy P.; Ehrman, Sheryl H.; Martins, Douglas K.; Stauffer, Ryan M.; Thompson, Anne M.; Salawitch, Ross J.;

A Novel Framework Based on FastICA for High Density Surface EMG Decomposition

PubMed Central

Chen, Maoqi; Zhou, Ping

2015-01-01

This study presents a progressive FastICA peel-off (PFP) framework for high density surface electromyogram (EMG) decomposition. The novel framework is based on a shift-invariant model for describing surface EMG. The decomposition process can be viewed as progressively expanding the set of motor unit spike trains, which is primarily based on FastICA. To overcome the local convergence of FastICA, a “peel off” strategy (i.e. removal of the estimated motor unit action potential (MUAP) trains from the previous step) is used to mitigate the effects of the already identified motor units, so more motor units can be extracted. Moreover, a constrained FastICA is applied to assess the extracted spike trains and correct possible erroneous or missed spikes. These procedures work together to improve the decomposition performance. The proposed framework was validated using simulated surface EMG signals with different motor unit numbers (30, 70, 91) and signal to noise ratios (SNRs) (20, 10, 0 dB). The results demonstrated relatively large numbers of extracted motor units and high accuracies (high F1-scores). The framework was also tested with 111 trials of 64-channel electrode array experimental surface EMG signals during the first dorsal interosseous (FDI) muscle contraction at different intensities. On average 14.1 ± 5.0 motor units were identified from each trial of experimental surface EMG signals. PMID:25775496

Simulating Surface Oil Transport During the Deepwater Horizon Oil Spill: Experiments with the BioCast System

DTIC Science & Technology

2014-01-25

Virtual Special Issue Gulf of Mexico Modelling – Lessons from the spill Simulating surface oil transport during the Deepwater Horizon oil spill ...ocean surface materials. The Deepwater Horizon oil spill in the Gulf of Mexico provided a test case for the Bio-Optical Forecasting (BioCast) system...addition of explicit sources and sinks of surface oil concentrations provides a framework for increasingly complex oil spill modeling efforts that extend

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.

The Effect of Framework Design on Stress Distribution in Implant-Supported FPDs: A 3-D FEM Study

PubMed Central

Eraslan, Oguz; Inan, Ozgur; Secilmis, Asli

2010-01-01

Objectives: The biomechanical behavior of the superstructure plays an important role in the functional longevity of dental implants. However, information about the influence of framework design on stresses transmitted to the implants and supporting tissues is limited. The purpose of this study was to evaluate the effects of framework designs on stress distribution at the supporting bone and supporting implants. Methods: In this study, the three-dimensional (3D) finite element stress analysis method was used. Three types of 3D mathematical models simulating three different framework designs for implant-supported 3-unit posterior fixed partial dentures were prepared with supporting structures. Convex (1), concave (2), and conventional (3) pontic framework designs were simulated. A 300-N static vertical occlusal load was applied on the node at the center of occlusal surface of the pontic to calculate the stress distributions. As a second condition, frameworks were directly loaded to evaluate the effect of the framework design clearly. The Solidworks/Cosmosworks structural analysis programs were used for finite element modeling/analysis. Results: The analysis of the von Mises stress values revealed that maximum stress concentrations were located at the loading areas for all models. The pontic side marginal edges of restorations and the necks of implants were other stress concentration regions. There was no clear difference among models when the restorations were loaded at occlusal surfaces. When the veneering porcelain was removed, and load was applied directly to the framework, there was a clear increase in stress concentration with a concave design on supporting implants and bone structure. Conclusions: The present study showed that the use of a concave design in the pontic frameworks of fixed partial dentures increases the von Mises stress levels on implant abutments and supporting bone structure. However, the veneering porcelain element reduces the effect of the framework and compensates for design weaknesses. PMID:20922156

The NASA-Goddard Multi-Scale Modeling Framework - Land Information System: Global Land/atmosphere Interaction with Resolved Convection

NASA Technical Reports Server (NTRS)

Mohr, Karen Irene; Tao, Wei-Kuo; Chern, Jiun-Dar; Kumar, Sujay V.; Peters-Lidard, Christa D.

2013-01-01

The present generation of general circulation models (GCM) use parameterized cumulus schemes and run at hydrostatic grid resolutions. To improve the representation of cloud-scale moist processes and landeatmosphere interactions, a global, Multi-scale Modeling Framework (MMF) coupled to the Land Information System (LIS) has been developed at NASA-Goddard Space Flight Center. The MMFeLIS has three components, a finite-volume (fv) GCM (Goddard Earth Observing System Ver. 4, GEOS-4), a 2D cloud-resolving model (Goddard Cumulus Ensemble, GCE), and the LIS, representing the large-scale atmospheric circulation, cloud processes, and land surface processes, respectively. The non-hydrostatic GCE model replaces the single-column cumulus parameterization of fvGCM. The model grid is composed of an array of fvGCM gridcells each with a series of embedded GCE models. A horizontal coupling strategy, GCE4fvGCM4Coupler4LIS, offered significant computational efficiency, with the scalability and I/O capabilities of LIS permitting landeatmosphere interactions at cloud-scale. Global simulations of 2007e2008 and comparisons to observations and reanalysis products were conducted. Using two different versions of the same land surface model but the same initial conditions, divergence in regional, synoptic-scale surface pressure patterns emerged within two weeks. The sensitivity of largescale circulations to land surface model physics revealed significant functional value to using a scalable, multi-model land surface modeling system in global weather and climate prediction.

A Regularized Volumetric Fusion Framework for Large-Scale 3D Reconstruction

NASA Astrophysics Data System (ADS)

Rajput, Asif; Funk, Eugen; Börner, Anko; Hellwich, Olaf

2018-07-01

Modern computational resources combined with low-cost depth sensing systems have enabled mobile robots to reconstruct 3D models of surrounding environments in real-time. Unfortunately, low-cost depth sensors are prone to produce undesirable estimation noise in depth measurements which result in either depth outliers or introduce surface deformations in the reconstructed model. Conventional 3D fusion frameworks integrate multiple error-prone depth measurements over time to reduce noise effects, therefore additional constraints such as steady sensor movement and high frame-rates are required for high quality 3D models. In this paper we propose a generic 3D fusion framework with controlled regularization parameter which inherently reduces noise at the time of data fusion. This allows the proposed framework to generate high quality 3D models without enforcing additional constraints. Evaluation of the reconstructed 3D models shows that the proposed framework outperforms state of art techniques in terms of both absolute reconstruction error and processing time.

Diffusion Filters for Variational Data Assimilation of Sea Surface Temperature in an Intermediate Climate Model

DTIC Science & Technology

2015-01-01

over data-dense regions. After that, a perfect twin data assimilation experiment framework is designed to study the effect of the GDF on the state...is designed to study the effect of the GDF on the state estimation based on an intermediate coupled model. In this framework, the assimilation model...observation. Considering = , (4) is equal to () = 1 2 + 1 2 ( − ) −1 ( − ) . (5) The effect of in (5) can

Image Segmentation, Registration, Compression, and Matching

NASA Technical Reports Server (NTRS)

Yadegar, Jacob; Wei, Hai; Yadegar, Joseph; Ray, Nilanjan; Zabuawala, Sakina

2011-01-01

A novel computational framework was developed of a 2D affine invariant matching exploiting a parameter space. Named as affine invariant parameter space (AIPS), the technique can be applied to many image-processing and computer-vision problems, including image registration, template matching, and object tracking from image sequence. The AIPS is formed by the parameters in an affine combination of a set of feature points in the image plane. In cases where the entire image can be assumed to have undergone a single affine transformation, the new AIPS match metric and matching framework becomes very effective (compared with the state-of-the-art methods at the time of this reporting). No knowledge about scaling or any other transformation parameters need to be known a priori to apply the AIPS framework. An automated suite of software tools has been created to provide accurate image segmentation (for data cleaning) and high-quality 2D image and 3D surface registration (for fusing multi-resolution terrain, image, and map data). These tools are capable of supporting existing GIS toolkits already in the marketplace, and will also be usable in a stand-alone fashion. The toolkit applies novel algorithmic approaches for image segmentation, feature extraction, and registration of 2D imagery and 3D surface data, which supports first-pass, batched, fully automatic feature extraction (for segmentation), and registration. A hierarchical and adaptive approach is taken for achieving automatic feature extraction, segmentation, and registration. Surface registration is the process of aligning two (or more) data sets to a common coordinate system, during which the transformation between their different coordinate systems is determined. Also developed here are a novel, volumetric surface modeling and compression technique that provide both quality-guaranteed mesh surface approximations and compaction of the model sizes by efficiently coding the geometry and connectivity/topology components of the generated models. The highly efficient triangular mesh compression compacts the connectivity information at the rate of 1.5-4 bits per vertex (on average for triangle meshes), while reducing the 3D geometry by 40-50 percent. Finally, taking into consideration the characteristics of 3D terrain data, and using the innovative, regularized binary decomposition mesh modeling, a multistage, pattern-drive modeling, and compression technique has been developed to provide an effective framework for compressing digital elevation model (DEM) surfaces, high-resolution aerial imagery, and other types of NASA data.

Cortical Surface Registration for Image-Guided Neurosurgery Using Laser-Range Scanning

PubMed Central

Sinha, Tuhin K.; Cash, David M.; Galloway, Robert L.; Weil, Robert J.

2013-01-01

In this paper, a method of acquiring intraoperative data using a laser range scanner (LRS) is presented within the context of model-updated image-guided surgery. Registering textured point clouds generated by the LRS to tomographic data is explored using established point-based and surface techniques as well as a novel method that incorporates geometry and intensity information via mutual information (SurfaceMI). Phantom registration studies were performed to examine accuracy and robustness for each framework. In addition, an in vivo registration is performed to demonstrate feasibility of the data acquisition system in the operating room. Results indicate that SurfaceMI performed better in many cases than point-based (PBR) and iterative closest point (ICP) methods for registration of textured point clouds. Mean target registration error (TRE) for simulated deep tissue targets in a phantom were 1.0 ± 0.2, 2.0 ± 0.3, and 1.2 ± 0.3 mm for PBR, ICP, and SurfaceMI, respectively. With regard to in vivo registration, the mean TRE of vessel contour points for each framework was 1.9 ± 1.0, 0 9 ± 0.6, and 1.3 ± 0.5 for PBR, ICP, and SurfaceMI, respectively. The methods discussed in this paper in conjunction with the quantitative data provide impetus for using LRS technology within the model-updated image-guided surgery framework. PMID:12906252

A solution to the surface intersection problem. [Boolean functions in geometric modeling

NASA Technical Reports Server (NTRS)

Timer, H. G.

1977-01-01

An application-independent geometric model within a data base framework should support the use of Boolean operators which allow the user to construct a complex model by appropriately combining a series of simple models. The use of these operators leads to the concept of implicitly and explicitly defined surfaces. With an explicitly defined model, the surface area may be computed by simply summing the surface areas of the bounding surfaces. For an implicitly defined model, the surface area computation must deal with active and inactive regions. Because the surface intersection problem involves four unknowns and its solution is a space curve, the parametric coordinates of each surface must be determined as a function of the arc length. Various subproblems involved in the general intersection problem are discussed, and the mathematical basis for their solution is presented along with a program written in FORTRAN IV for implementation on the IBM 370 TSO system.

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.

Surface Termination of the Metal-Organic Framework HKUST-1: A Theoretical Investigation.

PubMed

Amirjalayer, Saeed; Tafipolsky, Maxim; Schmid, Rochus

2014-09-18

The surface morphology and termination of metal-organic frameworks (MOF) is of critical importance in many applications, but the surface properties of these soft materials are conceptually different from those of other materials like metal or oxide surfaces. Up to now, experimental investigations are scarce and theoretical simulations have focused on the bulk properties. The possible surface structure of the archetypal MOF HKUST-1 is investigated by a first-principles derived force field in combination with DFT calculations of model systems. The computed surface energies correctly predict the [111] surface to be most stable and allow us to obtain an unprecedented atomistic picture of the surface termination. Entropic factors are identified to determine the preferred surface termination and to be the driving force for the MOF growth. On the basis of this, reported strategies like employing "modulators" during the synthesis to tailor the crystal morphology are discussed.

Development of a Detailed Surface Chemistry Framework in DSMC

NASA Technical Reports Server (NTRS)

Swaminathan-Gopalan, K.; Borner, A.; Stephani, K. A.

2017-01-01

Many of the current direct simulation Monte Carlo (DSMC) codes still employ only simple surface catalysis models. These include only basic mechanisms such as dissociation, recombination, and exchange reactions, without any provision for adsorption and finite rate kinetics. Incorporating finite rate chemistry at the surface is increasingly becoming a necessity for various applications such as high speed re-entry flows over thermal protection systems (TPS), micro-electro-mechanical systems (MEMS), surface catalysis, etc. In the recent years, relatively few works have examined finite-rate surface reaction modeling using the DSMC method.In this work, a generalized finite-rate surface chemistry framework incorporating a comprehensive list of reaction mechanisms is developed and implemented into the DSMC solver SPARTA. The various mechanisms include adsorption, desorption, Langmuir-Hinshelwood (LH), Eley-Rideal (ER), Collision Induced (CI), condensation, sublimation, etc. The approach is to stochastically model the various competing reactions occurring on a set of active sites. Both gas-surface (e.g., ER, CI) and pure-surface (e.g., LH, desorption) reaction mechanisms are incorporated. The reaction mechanisms could also be catalytic or surface altering based on the participation of the bulk-phase species (e.g., bulk carbon atoms). Marschall and MacLean developed a general formulation in which multiple phases and surface sites are used and we adopt a similar convention in the current work. Microscopic parameters of reaction probabilities (for gas-surface reactions) and frequencies (for pure-surface reactions) that are require for DSMC are computed from the surface properties and macroscopic parameters such as rate constants, sticking coefficients, etc. The energy and angular distributions of the products are decided based on the reaction type and input parameters. Thus, the user has the capability to model various surface reactions via user-specified reaction rate constants, surface properties and parameters.

Multimodeling Framework for Predicting Water Quality in Fragmented Agriculture-Forest Ecosystems

NASA Astrophysics Data System (ADS)

Rose, J. B.; Guber, A.; Porter, W. F.; Williams, D.; Tamrakar, S.; Dechen Quinn, A.

2012-12-01

Both livestock and wildlife are major contributors of nonpoint pollution of surface water bodies. The interactions among them can substantially increase the chance of contamination especially in fragmented agriculture-forest landscapes, where wildlife (e.g. white tailed deer) can transmit diseases between remote farms. Unfortunately, models currently available for predicting fate and transport of microorganisms in these ecosystems do not account for such interactions. The objectives of this study are to develop and test a multimodeling framework that assesses the risk of microbial contamination of surface water caused by wildlife-livestock interactions in fragmented agriculture-forest ecosystems. The framework consists of a modified Soil Water Assessment Tool (SWAT), KINematic Runoff and EROSion model (KINEROS2) with the add-on module STWIR (Microorganism Transport with Infiltration and Runoff), RAMAS GIS, SIR compartmental model and Quantitative Microbial Risk Assessment model (QMRA). The watershed-scale model SWAT simulates plant biomass growth, wash-off of microorganisms from foliage and soil, overland and in-stream microbial transport, microbial growth, and die-off in foliage and soil. RAMAS GIS model predicts the most probable habitat and subsequent population of white-tailed deer based on land use and crop biomass. KINEROS-STWIR simulates overland transport of microorganisms released from soil, surface applied manure, and fecal deposits during runoff events at high temporal and special resolutions. KINEROS-STWIR and RAMAS GIS provide input for an SIR compartmental model which simulates disease transmission within and between deer groups. This information is used in SWAT model to account for transmission and deposition of pathogens by white tailed deer in stream water, foliage and soil. The QMRA approach extends to microorganisms inactivated in forage and water consumed by deer. Probabilities of deer infections and numbers of infected animals are computed based on a dose-response approach, including Beta Poisson and Maximum Risk models, which take into account pathogen variation in infectivity. An example of the Multimodeling framework performance for a fragmented agriculture-forest ecosystem will be shown in the presentation.

A unified account of perceptual layering and surface appearance in terms of gamut relativity.

PubMed

Vladusich, Tony; McDonnell, Mark D

2014-01-01

When we look at the world--or a graphical depiction of the world--we perceive surface materials (e.g. a ceramic black and white checkerboard) independently of variations in illumination (e.g. shading or shadow) and atmospheric media (e.g. clouds or smoke). Such percepts are partly based on the way physical surfaces and media reflect and transmit light and partly on the way the human visual system processes the complex patterns of light reaching the eye. One way to understand how these percepts arise is to assume that the visual system parses patterns of light into layered perceptual representations of surfaces, illumination and atmospheric media, one seen through another. Despite a great deal of previous experimental and modelling work on layered representation, however, a unified computational model of key perceptual demonstrations is still lacking. Here we present the first general computational model of perceptual layering and surface appearance--based on a boarder theoretical framework called gamut relativity--that is consistent with these demonstrations. The model (a) qualitatively explains striking effects of perceptual transparency, figure-ground separation and lightness, (b) quantitatively accounts for the role of stimulus- and task-driven constraints on perceptual matching performance, and (c) unifies two prominent theoretical frameworks for understanding surface appearance. The model thereby provides novel insights into the remarkable capacity of the human visual system to represent and identify surface materials, illumination and atmospheric media, which can be exploited in computer graphics applications.

A Unified Account of Perceptual Layering and Surface Appearance in Terms of Gamut Relativity

PubMed Central

Vladusich, Tony; McDonnell, Mark D.

2014-01-01

When we look at the world—or a graphical depiction of the world—we perceive surface materials (e.g. a ceramic black and white checkerboard) independently of variations in illumination (e.g. shading or shadow) and atmospheric media (e.g. clouds or smoke). Such percepts are partly based on the way physical surfaces and media reflect and transmit light and partly on the way the human visual system processes the complex patterns of light reaching the eye. One way to understand how these percepts arise is to assume that the visual system parses patterns of light into layered perceptual representations of surfaces, illumination and atmospheric media, one seen through another. Despite a great deal of previous experimental and modelling work on layered representation, however, a unified computational model of key perceptual demonstrations is still lacking. Here we present the first general computational model of perceptual layering and surface appearance—based on a boarder theoretical framework called gamut relativity—that is consistent with these demonstrations. The model (a) qualitatively explains striking effects of perceptual transparency, figure-ground separation and lightness, (b) quantitatively accounts for the role of stimulus- and task-driven constraints on perceptual matching performance, and (c) unifies two prominent theoretical frameworks for understanding surface appearance. The model thereby provides novel insights into the remarkable capacity of the human visual system to represent and identify surface materials, illumination and atmospheric media, which can be exploited in computer graphics applications. PMID:25402466

Characterizing the Diurnal Cycle of Land Surface Temperature and Evapotranspiration at High Spatial Resolution Using Thermal Observations from sUAS.

NASA Astrophysics Data System (ADS)

Dutta, D.; Drewry, D.; Johnson, W. R.

2017-12-01

The surface temperature of plant canopies is an important indicator of the stomatal regulation of plant water use and the associated water flux from plants to atmosphere (evapotranspiration (ET)). Remotely sensed thermal observations using compact, low-cost, lightweight sensors from small unmanned aerial systems (sUAS) have the potential to provide surface temperature (ST) and ET estimates at unprecedented spatial and temporal resolutions, allowing us to characterize the intra-field diurnal variations in canopy ST and ET for a variety of vegetation systems. However, major challenges exist for obtaining accurate surface temperature estimates from low-cost uncooled microbolometer-type sensors. Here we describe the development of calibration methods using thermal chamber experiments, taking into account the ambient optics and sensor temperatures, and applying simple models of spatial non-uniformity correction to the sensor focal-plane-array. We present a framework that can be used to derive accurate surface temperatures using radiometric observations from low-cost sensors, and demonstrate this framework using a sUAS-mounted sensor across a diverse set of calibration and vegetation targets. Further, we demonstrate the use of the Surface Temperature Initiated Closure (STIC) model for computing spatially explicit, high spatial resolution ET estimates across several well-monitored agricultural systems, as driven by sUAS acquired surface temperatures. STIC provides a physically-based surface energy balance framework for the simultaneous retrieval of the surface and atmospheric vapor conductances and surface energy fluxes, by physically integrating radiometric surface temperature information into the Penman-Monteith equation. Results of our analysis over agricultural systems in Ames, IA and Davis, CA demonstrate the power of this approach for quantifying the intra-field spatial variability in the diurnal cycle of plant water use at sub-meter resolutions.

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

On the Formulation of Anisotropic-Polyaxial Failure Criteria: A Comparative Study

NASA Astrophysics Data System (ADS)

Parisio, Francesco; Laloui, Lyesse

2018-02-01

The correct representation of the failure of geomaterials that feature strength anisotropy and polyaxiality is crucial for many applications. In this contribution, we propose and evaluate through a comparative study a generalized framework that covers both features. Polyaxiality of strength is modeled with a modified Van Eekelen approach, while the anisotropy is modeled using a fabric tensor approach of the Pietruszczak and Mroz type. Both approaches share the same philosophy as they can be applied to simpler failure surfaces, allowing great flexibility in model formulation. The new failure surface is tested against experimental data and its performance compared against classical failure criteria commonly used in geomechanics. Our study finds that the global error between predictions and data is generally smaller for the proposed framework compared to other classical approaches.

Utility of remote sensing-based surface energy balance models to track water stress in rain-fed switchgrass under dry and wet conditions

USDA-ARS?s Scientific Manuscript database

The ability of remote sensing-based surface energy balance (SEB) models to track water stress in rain-fed switchgrass has not been explored yet. In this paper, the theoretical framework of crop water stress index (CWSI) was utilized to estimate CWSI in rain-fed switchgrass (Panicum virgatum L.) usin...

Modeling Complex Biological Flows in Multi-Scale Systems using the APDEC Framework

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

Trebotich, D

We have developed advanced numerical algorithms to model biological fluids in multiscale flow environments using the software framework developed under the SciDAC APDEC ISIC. The foundation of our computational effort is an approach for modeling DNA-laden fluids as ''bead-rod'' polymers whose dynamics are fully coupled to an incompressible viscous solvent. The method is capable of modeling short range forces and interactions between particles using soft potentials and rigid constraints. Our methods are based on higher-order finite difference methods in complex geometry with adaptivity, leveraging algorithms and solvers in the APDEC Framework. Our Cartesian grid embedded boundary approach to incompressible viscousmore » flow in irregular geometries has also been interfaced to a fast and accurate level-sets method within the APDEC Framework for extracting surfaces from volume renderings of medical image data and used to simulate cardio-vascular and pulmonary flows in critical anatomies.« less

Modeling complex biological flows in multi-scale systems using the APDEC framework

NASA Astrophysics Data System (ADS)

Trebotich, David

2006-09-01

We have developed advanced numerical algorithms to model biological fluids in multiscale flow environments using the software framework developed under the SciDAC APDEC ISIC. The foundation of our computational effort is an approach for modeling DNA laden fluids as ''bead-rod'' polymers whose dynamics are fully coupled to an incompressible viscous solvent. The method is capable of modeling short range forces and interactions between particles using soft potentials and rigid constraints. Our methods are based on higher-order finite difference methods in complex geometry with adaptivity, leveraging algorithms and solvers in the APDEC Framework. Our Cartesian grid embedded boundary approach to incompressible viscous flow in irregular geometries has also been interfaced to a fast and accurate level-sets method within the APDEC Framework for extracting surfaces from volume renderings of medical image data and used to simulate cardio-vascular and pulmonary flows in critical anatomies.

A conceptual model for the analysis of multi-stressors in linked groundwater-surface water systems.

PubMed

Kaandorp, Vince P; Molina-Navarro, Eugenio; Andersen, Hans E; Bloomfield, John P; Kuijper, Martina J M; de Louw, Perry G B

2018-06-15

Groundwater and surface water are often closely coupled and are both under the influence of multiple stressors. Stressed groundwater systems may lead to a poor ecological status of surface waters but to date no conceptual framework to analyse linked multi-stressed groundwater - surface water systems has been developed. In this paper, a framework is proposed showing the effect of groundwater on surface waters in multiple stressed systems. This framework will be illustrated by applying it to four European catchments, the Odense, Denmark, the Regge and Dinkel, Netherlands, and the Thames, UK, and by assessing its utility in analysing the propagation or buffering of multi-stressors through groundwater to surface waters in these catchments. It is shown that groundwater affects surface water flow, nutrients and temperature, and can both propagate stressors towards surface waters and buffer the effect of stressors in space and time. The effect of groundwater on drivers and states depends on catchment characteristics, stressor combinations, scale and management practises. The proposed framework shows how groundwater in lowland catchments acts as a bridge between stressors and their effects within surface waters. It shows water managers how their management areas might be influenced by groundwater, and helps them to include this important, but often overlooked part of the water cycle in their basin management plans. The analysis of the study catchments also revealed a lack of data on the temperature of both groundwater and surface water, while it is an important parameter considering future climate warming. Copyright © 2018. Published by Elsevier B.V.

Surface Mass Balance of the Greenland Ice Sheet Derived from Paleoclimate Reanalysis

NASA Astrophysics Data System (ADS)

Badgeley, J.; Steig, E. J.; Hakim, G. J.; Anderson, J.; Tardif, R.

2017-12-01

Modeling past ice-sheet behavior requires independent knowledge of past surface mass balance. Though models provide useful insight into ice-sheet response to climate forcing, if past climate is unknown, then ascertaining the rate and extent of past ice-sheet change is limited to geological and geophysical constraints. We use a novel data-assimilation framework developed under the Last Millennium Reanalysis Project (Hakim et al., 2016) to reconstruct past climate over ice sheets with the intent of creating an independent surface mass balance record for paleo ice-sheet modeling. Paleoclimate data assimilation combines the physics of climate models and the time series evidence of proxy records in an offline, ensemble-based approach. This framework allows for the assimilation of numerous proxy records and archive types while maintaining spatial consistency with known climate dynamics and physics captured by the models. In our reconstruction, we use the Community Climate System Model version 4, CMIP5 last millennium simulation (Taylor et al., 2012; Landrum et al., 2013) and a nearly complete database of ice core oxygen isotope records to reconstruct Holocene surface temperature and precipitation over the Greenland Ice Sheet on a decadal timescale. By applying a seasonality to this reconstruction (from the TraCE-21ka simulation; Liu et al., 2009), our reanalysis can be used in seasonally-based surface mass balance models. Here we discuss the methods behind our reanalysis and the performance of our reconstruction through prediction of unassimilated proxy records and comparison to paleoclimate reconstructions and reanalysis products.

Hydroclimatic regimes: a distributed water-balance framework for hydrologic assessment, classification, and management

USGS Publications Warehouse

Weiskel, Peter K.; Wolock, David M.; Zarriello, Phillip J.; Vogel, Richard M.; Levin, Sara B.; Lent, Robert M.

2014-01-01

Runoff-based indicators of terrestrial water availability are appropriate for humid regions, but have tended to limit our basic hydrologic understanding of drylands – the dry-subhumid, semiarid, and arid regions which presently cover nearly half of the global land surface. In response, we introduce an indicator framework that gives equal weight to humid and dryland regions, accounting fully for both vertical (precipitation + evapotranspiration) and horizontal (groundwater + surface-water) components of the hydrologic cycle in any given location – as well as fluxes into and out of landscape storage. We apply the framework to a diverse hydroclimatic region (the conterminous USA) using a distributed water-balance model consisting of 53 400 networked landscape hydrologic units. Our model simulations indicate that about 21% of the conterminous USA either generated no runoff or consumed runoff from upgradient sources on a mean-annual basis during the 20th century. Vertical fluxes exceeded horizontal fluxes across 76% of the conterminous area. Long-term-average total water availability (TWA) during the 20th century, defined here as the total influx to a landscape hydrologic unit from precipitation, groundwater, and surface water, varied spatially by about 400 000-fold, a range of variation ~100 times larger than that for mean-annual runoff across the same area. The framework includes but is not limited to classical, runoff-based approaches to water-resource assessment. It also incorporates and reinterprets the green- and blue-water perspective now gaining international acceptance. Implications of the new framework for several areas of contemporary hydrology are explored, and the data requirements of the approach are discussed in relation to the increasing availability of gridded global climate, land-surface, and hydrologic data sets.

A Hierarchical Building Segmentation in Digital Surface Models for 3D Reconstruction.

PubMed

Yan, Yiming; Gao, Fengjiao; Deng, Shupei; Su, Nan

2017-01-24

In this study, a hierarchical method for segmenting buildings in a digital surface model (DSM), which is used in a novel framework for 3D reconstruction, is proposed. Most 3D reconstructions of buildings are model-based. However, the limitations of these methods are overreliance on completeness of the offline-constructed models of buildings, and the completeness is not easily guaranteed since in modern cities buildings can be of a variety of types. Therefore, a model-free framework using high precision DSM and texture-images buildings was introduced. There are two key problems with this framework. The first one is how to accurately extract the buildings from the DSM. Most segmentation methods are limited by either the terrain factors or the difficult choice of parameter-settings. A level-set method are employed to roughly find the building regions in the DSM, and then a recently proposed 'occlusions of random textures model' are used to enhance the local segmentation of the buildings. The second problem is how to generate the facades of buildings. Synergizing with the corresponding texture-images, we propose a roof-contour guided interpolation of building facades. The 3D reconstruction results achieved by airborne-like images and satellites are compared. Experiments show that the segmentation method has good performance, and 3D reconstruction is easily performed by our framework, and better visualization results can be obtained by airborne-like images, which can be further replaced by UAV images.

Sources of Uncertainty in Predicting Land Surface Fluxes Using Diverse Data and Models

NASA Technical Reports Server (NTRS)

Dungan, Jennifer L.; Wang, Weile; Michaelis, Andrew; Votava, Petr; Nemani, Ramakrishma

2010-01-01

In the domain of predicting land surface fluxes, models are used to bring data from large observation networks and satellite remote sensing together to make predictions about present and future states of the Earth. Characterizing the uncertainty about such predictions is a complex process and one that is not yet fully understood. Uncertainty exists about initialization, measurement and interpolation of input variables; model parameters; model structure; and mixed spatial and temporal supports. Multiple models or structures often exist to describe the same processes. Uncertainty about structure is currently addressed by running an ensemble of different models and examining the distribution of model outputs. To illustrate structural uncertainty, a multi-model ensemble experiment we have been conducting using the Terrestrial Observation and Prediction System (TOPS) will be discussed. TOPS uses public versions of process-based ecosystem models that use satellite-derived inputs along with surface climate data and land surface characterization to produce predictions of ecosystem fluxes including gross and net primary production and net ecosystem exchange. Using the TOPS framework, we have explored the uncertainty arising from the application of models with different assumptions, structures, parameters, and variable definitions. With a small number of models, this only begins to capture the range of possible spatial fields of ecosystem fluxes. Few attempts have been made to systematically address the components of uncertainty in such a framework. We discuss the characterization of uncertainty for this approach including both quantifiable and poorly known aspects.

Improved statistical power with a sparse shape model in detecting an aging effect in the hippocampus and amygdala

NASA Astrophysics Data System (ADS)

Chung, Moo K.; Kim, Seung-Goo; Schaefer, Stacey M.; van Reekum, Carien M.; Peschke-Schmitz, Lara; Sutterer, Matthew J.; Davidson, Richard J.

2014-03-01

The sparse regression framework has been widely used in medical image processing and analysis. However, it has been rarely used in anatomical studies. We present a sparse shape modeling framework using the Laplace- Beltrami (LB) eigenfunctions of the underlying shape and show its improvement of statistical power. Tradition- ally, the LB-eigenfunctions are used as a basis for intrinsically representing surface shapes as a form of Fourier descriptors. To reduce high frequency noise, only the first few terms are used in the expansion and higher frequency terms are simply thrown away. However, some lower frequency terms may not necessarily contribute significantly in reconstructing the surfaces. Motivated by this idea, we present a LB-based method to filter out only the significant eigenfunctions by imposing a sparse penalty. For dense anatomical data such as deformation fields on a surface mesh, the sparse regression behaves like a smoothing process, which will reduce the error of incorrectly detecting false negatives. Hence the statistical power improves. The sparse shape model is then applied in investigating the influence of age on amygdala and hippocampus shapes in the normal population. The advantage of the LB sparse framework is demonstrated by showing the increased statistical power.

interThermalPhaseChangeFoam-A framework for two-phase flow simulations with thermally driven phase change

NASA Astrophysics Data System (ADS)

Nabil, Mahdi; Rattner, Alexander S.

The volume-of-fluid (VOF) approach is a mature technique for simulating two-phase flows. However, VOF simulation of phase-change heat transfer is still in its infancy. Multiple closure formulations have been proposed in the literature, each suited to different applications. While these have enabled significant research advances, few implementations are publicly available, actively maintained, or inter-operable. Here, a VOF solver is presented (interThermalPhaseChangeFoam), which incorporates an extensible framework for phase-change heat transfer modeling, enabling simulation of diverse phenomena in a single environment. The solver employs object oriented OpenFOAM library features, including Run-Time-Type-Identification to enable rapid implementation and run-time selection of phase change and surface tension force models. The solver is packaged with multiple phase change and surface tension closure models, adapted and refined from earlier studies. This code has previously been applied to study wavy film condensation, Taylor flow evaporation, nucleate boiling, and dropwise condensation. Tutorial cases are provided for simulation of horizontal film condensation, smooth and wavy falling film condensation, nucleate boiling, and bubble condensation. Validation and grid sensitivity studies, interfacial transport models, effects of spurious currents from surface tension models, effects of artificial heat transfer due to numerical factors, and parallel scaling performance are described in detail in the Supplemental Material (see Appendix A). By incorporating the framework and demonstration cases into a single environment, users can rapidly apply the solver to study phase-change processes of interest.

Spatial response surface modelling in the presence of data paucity for the evaluation of potential human health risk due to the contamination of potable water resources.

PubMed

Liu, Shen; McGree, James; Hayes, John F; Goonetilleke, Ashantha

2016-10-01

Potential human health risk from waterborne diseases arising from unsatisfactory performance of on-site wastewater treatment systems is driven by landscape factors such as topography, soil characteristics, depth to water table, drainage characteristics and the presence of surface water bodies. These factors are present as random variables which are spatially distributed across a region. A methodological framework is presented that can be applied to model and evaluate the influence of various factors on waterborne disease potential. This framework is informed by spatial data and expert knowledge. For prediction at unsampled sites, interpolation methods were used to derive a spatially smoothed surface of disease potential which takes into account the uncertainty due to spatial variation at any pre-determined level of significance. This surface was constructed by accounting for the influence of multiple variables which appear to contribute to disease potential. The framework developed in this work strengthens the understanding of the characteristics of disease potential and provides predictions of this potential across a region. The study outcomes presented constitutes an innovative approach to environmental monitoring and management in the face of data paucity. Copyright © 2016 Elsevier B.V. All rights reserved.

Incorporating JULES into NASA's Land Information System (LIS) and Investigations of Land-Atmosphere Coupling

NASA Technical Reports Server (NTRS)

Santanello, Joseph

2011-01-01

NASA's Land Information System (LIS; lis.gsfc.nasa.gov) is a flexible land surface modeling and data assimilation framework developed over the past decade with the goal of integrating satellite- and ground-based observational data products and advanced land surface modeling techniques to produce optimal fields of land surface states and fluxes. LIS features a high performance and flexible design, and operates on an ensemble of land surface models for extension over user-specified regional or global domains. The extensible interfaces of LIS allow the incorporation of new domains, land surface models (LSMs), land surface parameters, meteorological inputs, data assimilation and optimization algorithms. In addition, LIS has also been demonstrated for parameter estimation and uncertainty estimation, and has been coupled to the Weather Research and Forecasting (WRF) mesoscale model. A visiting fellowship is currently underway to implement JULES into LIS and to undertake some fundamental science on the feedbacks between the land surface and the atmosphere. An overview of the LIS system, features, and sample results will be presented in an effort to engage the community in the potential advantages of LIS-JULES for a range of applications. Ongoing efforts to develop a framework for diagnosing land-atmosphere coupling will also be presented using the suite of LSM and PBL schemes available in LIS and WRF along with observations from the U. S .. Southern Great Plains. This methodology provides a potential pathway to study factors controlling local land-atmosphere coupling (LoCo) using the LIS-WRF system, which will serve as a testbed for future experiments to evaluate coupling diagnostics within the community.

Understanding climate impacts on vegetation using a spatiotemporal non-linear Granger causality framework

NASA Astrophysics Data System (ADS)

Papagiannopoulou, Christina; Decubber, Stijn; Miralles, Diego; Demuzere, Matthias; Dorigo, Wouter; Verhoest, Niko; Waegeman, Willem

2017-04-01

Satellite data provide an abundance of information about crucial climatic and environmental variables. These data - consisting of global records, spanning up to 35 years and having the form of multivariate time series with different spatial and temporal resolutions - enable the study of key climate-vegetation interactions. Although methods which are based on correlations and linear models are typically used for this purpose, their assumptions for linearity about the climate-vegetation relationships are too simplistic. Therefore, we adopt a recently proposed non-linear Granger causality analysis [1], in which we incorporate spatial information, concatenating data from neighboring pixels and training a joint model on the combined data. Experimental results based on global data sets show that considering non-linear relationships leads to a higher explained variance of past vegetation dynamics, compared to simple linear models. Our approach consists of several steps. First, we compile an extensive database [1], which includes multiple data sets for land surface temperature, near-surface air temperature, surface radiation, precipitation, snow water equivalents and surface soil moisture. Based on this database, high-level features are constructed and considered as predictors in our machine-learning framework. These high-level features include (de-trended) seasonal anomalies, lagged variables, past cumulative variables, and extreme indices, all calculated based on the raw climatic data. Second, we apply a spatiotemporal non-linear Granger causality framework - in which the linear predictive model is substituted for a non-linear machine learning algorithm - in order to assess which of these predictor variables Granger-cause vegetation dynamics at each 1° pixel. We use the de-trended anomalies of Normalized Difference Vegetation Index (NDVI) to characterize vegetation, being the target variable of our framework. Experimental results indicate that climate strongly (Granger-)causes vegetation dynamics in most regions globally. More specifically, water availability is the most dominant vegetation driver, being the dominant vegetation driver in 54% of the vegetated surface. Furthermore, our results show that precipitation and soil moisture have prolonged impacts on vegetation in semiarid regions, with up to 10% of additional explained variance on the vegetation dynamics occurring three months later. Finally, hydro-climatic extremes seem to have a remarkable impact on vegetation, since they also explain up to 10% of additional variance of vegetation in certain regions despite their infrequent occurrence. References [1] Papagiannopoulou, C., Miralles, D. G., Verhoest, N. E. C., Dorigo, W. A., and Waegeman, W.: A non-linear Granger causality framework to investigate climate-vegetation dynamics, Geosci. Model Dev. Discuss., doi:10.5194/gmd-2016-266, in review, 2016.

A Historical Forcing Ice Sheet Model Validation Framework for Greenland

NASA Astrophysics Data System (ADS)

Price, S. F.; Hoffman, M. J.; Howat, I. M.; Bonin, J. A.; Chambers, D. P.; Kalashnikova, I.; Neumann, T.; Nowicki, S.; Perego, M.; Salinger, A.

2014-12-01

We propose an ice sheet model testing and validation framework for Greenland for the years 2000 to the present. Following Perego et al. (2014), we start with a realistic ice sheet initial condition that is in quasi-equilibrium with climate forcing from the late 1990's. This initial condition is integrated forward in time while simultaneously applying (1) surface mass balance forcing (van Angelen et al., 2013) and (2) outlet glacier flux anomalies, defined using a new dataset of Greenland outlet glacier flux for the past decade (Enderlin et al., 2014). Modeled rates of mass and elevation change are compared directly to remote sensing observations obtained from GRACE and ICESat. Here, we present a detailed description of the proposed validation framework including the ice sheet model and model forcing approach, the model-to-observation comparison process, and initial results comparing model output and observations for the time period 2000-2013.

SU-D-BRA-04: Computerized Framework for Marker-Less Localization of Anatomical Feature Points in Range Images Based On Differential Geometry Features for Image-Guided Radiation Therapy

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

Soufi, M; Arimura, H; Toyofuku, F

Purpose: To propose a computerized framework for localization of anatomical feature points on the patient surface in infrared-ray based range images by using differential geometry (curvature) features. Methods: The general concept was to reconstruct the patient surface by using a mathematical modeling technique for the computation of differential geometry features that characterize the local shapes of the patient surfaces. A region of interest (ROI) was firstly extracted based on a template matching technique applied on amplitude (grayscale) images. The extracted ROI was preprocessed for reducing temporal and spatial noises by using Kalman and bilateral filters, respectively. Next, a smooth patientmore » surface was reconstructed by using a non-uniform rational basis spline (NURBS) model. Finally, differential geometry features, i.e. the shape index and curvedness features were computed for localizing the anatomical feature points. The proposed framework was trained for optimizing shape index and curvedness thresholds and tested on range images of an anthropomorphic head phantom. The range images were acquired by an infrared ray-based time-of-flight (TOF) camera. The localization accuracy was evaluated by measuring the mean of minimum Euclidean distances (MMED) between reference (ground truth) points and the feature points localized by the proposed framework. The evaluation was performed for points localized on convex regions (e.g. apex of nose) and concave regions (e.g. nasofacial sulcus). Results: The proposed framework has localized anatomical feature points on convex and concave anatomical landmarks with MMEDs of 1.91±0.50 mm and 3.70±0.92 mm, respectively. A statistically significant difference was obtained between the feature points on the convex and concave regions (P<0.001). Conclusion: Our study has shown the feasibility of differential geometry features for localization of anatomical feature points on the patient surface in range images. The proposed framework might be useful for tasks involving feature-based image registration in range-image guided radiation therapy.« less

A Multiscale Nested Modeling Framework to Simulate the Interaction of Surface Gravity Waves with Nonlinear Internal Gravity Waves

DTIC Science & Technology

2015-09-30

We aim at understanding the impact of tidal , seasonal, and mesoscale variability of the internal wave field and how it influences the surface waves ...Interaction of Surface Gravity Waves with Nonlinear Internal Gravity Waves Lian Shen St. Anthony Falls Laboratory and Department of Mechanical...on studying surface gravity wave evolution and spectrum in the presence of surface currents caused by strongly nonlinear internal solitary waves

Advanced error diagnostics of the CMAQ and Chimere modelling systems within the AQMEII3 model evaluation framework

EPA Science Inventory

The work here complements the overview analysis of the modelling systems participating in the third phase of the Air Quality Model Evaluation International Initiative (AQMEII3) by focusing on the performance for hourly surface ozone by two modelling systems, Chimere for Europe an...

Modeling and Observational Framework for Diagnosing Local Land-Atmosphere Coupling on Diurnal Time Scales

NASA Technical Reports Server (NTRS)

Santanello, Joseph A., Jr.; Peters-Lidard, Christa D.; Kumar, Sujay V.; Alonge, Charles; Tao, Wei-Kuo

2009-01-01

Land-atmosphere interactions play a critical role in determining the diurnal evolution of both planetary boundary layer (PBL) and land surface temperature and moisture states. The degree of coupling between the land surface and PBL in numerical weather prediction and climate models remains largely unexplored and undiagnosed due to the complex interactions and feedbacks present across a range of scales. Further, uncoupled systems or experiments (e.g., the Project for Intercomparison of Land Parameterization Schemes, PILPS) may lead to inaccurate water and energy cycle process understanding by neglecting feedback processes such as PBL-top entrainment. In this study, a framework for diagnosing local land-atmosphere coupling is presented using a coupled mesoscale model with a suite of PBL and land surface model (LSM) options along with observations during field experiments in the U. S. Southern Great Plains. Specifically, the Weather Research and Forecasting (WRF) model has been coupled to the Land Information System (LIS), which provides a flexible and high-resolution representation and initialization of land surface physics and states. Within this framework, the coupling established by each pairing of the available PBL schemes in WRF with the LSMs in LIS is evaluated in terms of the diurnal temperature and humidity evolution in the mixed layer. The co-evolution of these variables and the convective PBL is sensitive to and, in fact, integrative of the dominant processes that govern the PBL budget, which are synthesized through the use of mixing diagrams. Results show how the sensitivity of land-atmosphere interactions to the specific choice of PBL scheme and LSM varies across surface moisture regimes and can be quantified and evaluated against observations. As such, this methodology provides a potential pathway to study factors controlling local land-atmosphere coupling (LoCo) using the LIS-WRF system, which will serve as a testbed for future experiments to evaluate coupling diagnostics within the community.

A Hierarchical Building Segmentation in Digital Surface Models for 3D Reconstruction

PubMed Central

Yan, Yiming; Gao, Fengjiao; Deng, Shupei; Su, Nan

2017-01-01

In this study, a hierarchical method for segmenting buildings in a digital surface model (DSM), which is used in a novel framework for 3D reconstruction, is proposed. Most 3D reconstructions of buildings are model-based. However, the limitations of these methods are overreliance on completeness of the offline-constructed models of buildings, and the completeness is not easily guaranteed since in modern cities buildings can be of a variety of types. Therefore, a model-free framework using high precision DSM and texture-images buildings was introduced. There are two key problems with this framework. The first one is how to accurately extract the buildings from the DSM. Most segmentation methods are limited by either the terrain factors or the difficult choice of parameter-settings. A level-set method are employed to roughly find the building regions in the DSM, and then a recently proposed ‘occlusions of random textures model’ are used to enhance the local segmentation of the buildings. The second problem is how to generate the facades of buildings. Synergizing with the corresponding texture-images, we propose a roof-contour guided interpolation of building facades. The 3D reconstruction results achieved by airborne-like images and satellites are compared. Experiments show that the segmentation method has good performance, and 3D reconstruction is easily performed by our framework, and better visualization results can be obtained by airborne-like images, which can be further replaced by UAV images. PMID:28125018

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

Surrogate assisted multidisciplinary design optimization for an all-electric GEO satellite

NASA Astrophysics Data System (ADS)

Shi, Renhe; Liu, Li; Long, Teng; Liu, Jian; Yuan, Bin

2017-09-01

State-of-the-art all-electric geostationary earth orbit (GEO) satellites use electric thrusters to execute all propulsive duties, which significantly differ from the traditional all-chemical ones in orbit-raising, station-keeping, radiation damage protection, and power budget, etc. Design optimization task of an all-electric GEO satellite is therefore a complex multidisciplinary design optimization (MDO) problem involving unique design considerations. However, solving the all-electric GEO satellite MDO problem faces big challenges in disciplinary modeling techniques and efficient optimization strategy. To address these challenges, we presents a surrogate assisted MDO framework consisting of several modules, i.e., MDO problem definition, multidisciplinary modeling, multidisciplinary analysis (MDA), and surrogate assisted optimizer. Based on the proposed framework, the all-electric GEO satellite MDO problem is formulated to minimize the total mass of the satellite system under a number of practical constraints. Then considerable efforts are spent on multidisciplinary modeling involving geosynchronous transfer, GEO station-keeping, power, thermal control, attitude control, and structure disciplines. Since orbit dynamics models and finite element structural model are computationally expensive, an adaptive response surface surrogate based optimizer is incorporated in the proposed framework to solve the satellite MDO problem with moderate computational cost, where a response surface surrogate is gradually refined to represent the computationally expensive MDA process. After optimization, the total mass of the studied GEO satellite is decreased by 185.3 kg (i.e., 7.3% of the total mass). Finally, the optimal design is further discussed to demonstrate the effectiveness of our proposed framework to cope with the all-electric GEO satellite system design optimization problems. This proposed surrogate assisted MDO framework can also provide valuable references for other all-electric spacecraft system design.

A patient-specific aortic valve model based on moving resistive immersed implicit surfaces.

PubMed

Fedele, Marco; Faggiano, Elena; Dedè, Luca; Quarteroni, Alfio

2017-10-01

In this paper, we propose a full computational framework to simulate the hemodynamics in the aorta including the valve. Closed and open valve surfaces, as well as the lumen aorta, are reconstructed directly from medical images using new ad hoc algorithms, allowing a patient-specific simulation. The fluid dynamics problem that accounts from the movement of the valve is solved by a new 3D-0D fluid-structure interaction model in which the valve surface is implicitly represented through level set functions, yielding, in the Navier-Stokes equations, a resistive penalization term enforcing the blood to adhere to the valve leaflets. The dynamics of the valve between its closed and open position is modeled using a reduced geometric 0D model. At the discrete level, a finite element formulation is used and the SUPG stabilization is extended to include the resistive term in the Navier-Stokes equations. Then, after time discretization, the 3D fluid and 0D valve models are coupled through a staggered approach. This computational framework, applied to a patient-specific geometry and data, allows to simulate the movement of the valve, the sharp pressure jump occurring across the leaflets, and the blood flow pattern inside the aorta.

A Risk-Based Framework for Assessing the Effectiveness of Stratospheric Aerosol Geoengineering

PubMed Central

Ferraro, Angus J.; Charlton-Perez, Andrew J.; Highwood, Eleanor J.

2014-01-01

Geoengineering by stratospheric aerosol injection has been proposed as a policy response to warming from human emissions of greenhouse gases, but it may produce unequal regional impacts. We present a simple, intuitive risk-based framework for classifying these impacts according to whether geoengineering increases or decreases the risk of substantial climate change, with further classification by the level of existing risk from climate change from increasing carbon dioxide concentrations. This framework is applied to two climate model simulations of geoengineering counterbalancing the surface warming produced by a quadrupling of carbon dioxide concentrations, with one using a layer of sulphate aerosol in the lower stratosphere, and the other a reduction in total solar irradiance. The solar dimming model simulation shows less regional inequality of impacts compared with the aerosol geoengineering simulation. In the solar dimming simulation, 10% of the Earth's surface area, containing 10% of its population and 11% of its gross domestic product, experiences greater risk of substantial precipitation changes under geoengineering than under enhanced carbon dioxide concentrations. In the aerosol geoengineering simulation the increased risk of substantial precipitation change is experienced by 42% of Earth's surface area, containing 36% of its population and 60% of its gross domestic product. PMID:24533155

An Efficient Approach to Modeling the Topographic Control of Surface Hydrology for Regional and Global Climate Modeling.

NASA Astrophysics Data System (ADS)

Stieglitz, Marc; Rind, David; Famiglietti, James; Rosenzweig, Cynthia

1997-01-01

The current generation of land-surface models used in GCMs view the soil column as the fundamental hydrologic unit. While this may be effective in simulating such processes as the evolution of ground temperatures and the growth/ablation of a snowpack at the soil plot scale, it effectively ignores the role topography plays in the development of soil moisture heterogeneity and the subsequent impacts of this soil moisture heterogeneity on watershed evapotranspiration and the partitioning of surface fluxes. This view also ignores the role topography plays in the timing of discharge and the partitioning of discharge into surface runoff and baseflow. In this paper an approach to land-surface modeling is presented that allows us to view the watershed as the fundamental hydrologic unit. The analytic form of TOPMODEL equations are incorporated into the soil column framework and the resulting model is used to predict the saturated fraction of the watershed and baseflow in a consistent fashion. Soil moisture heterogeneity represented by saturated lowlands subsequently impacts the partitioning of surface fluxes, including evapotranspiration and runoff. The approach is computationally efficient, allows for a greatly improved simulation of the hydrologic cycle, and is easily coupled into the existing framework of the current generation of single column land-surface models. Because this approach uses the statistics of the topography rather than the details of the topography, it is compatible with the large spatial scales of today's regional and global climate models. Five years of meteorological and hydrological data from the Sleepers River watershed located in the northeastern United States where winter snow cover is significant were used to drive the new model. Site validation data were sufficient to evaluate model performance with regard to various aspects of the watershed water balance, including snowpack growth/ablation, the spring snowmelt hydrograph, storm hydrographs, and the seasonal development of watershed evapotranspiration and soil moisture.

An ontology for component-based models of water resource systems

NASA Astrophysics Data System (ADS)

Elag, Mostafa; Goodall, Jonathan L.

2013-08-01

Component-based modeling is an approach for simulating water resource systems where a model is composed of a set of components, each with a defined modeling objective, interlinked through data exchanges. Component-based modeling frameworks are used within the hydrologic, atmospheric, and earth surface dynamics modeling communities. While these efforts have been advancing, it has become clear that the water resources modeling community in particular, and arguably the larger earth science modeling community as well, faces a challenge of fully and precisely defining the metadata for model components. The lack of a unified framework for model component metadata limits interoperability between modeling communities and the reuse of models across modeling frameworks due to ambiguity about the model and its capabilities. To address this need, we propose an ontology for water resources model components that describes core concepts and relationships using the Web Ontology Language (OWL). The ontology that we present, which is termed the Water Resources Component (WRC) ontology, is meant to serve as a starting point that can be refined over time through engagement by the larger community until a robust knowledge framework for water resource model components is achieved. This paper presents the methodology used to arrive at the WRC ontology, the WRC ontology itself, and examples of how the ontology can aid in component-based water resources modeling by (i) assisting in identifying relevant models, (ii) encouraging proper model coupling, and (iii) facilitating interoperability across earth science modeling frameworks.

Regional Mapping of Coupled Fluxes of Carbon and Water Using Multi-Sensor Fusion Techniques

NASA Astrophysics Data System (ADS)

Schull, M. A.; Anderson, M. C.; Semmens, K. A.; Yang, Y.; Gao, F.; Hain, C.; Houborg, R.

2014-12-01

In an ever-changing climate there is an increasing need to measure the fluxes of water, energy and carbon for decision makers to implement policies that will help mitigate the effects of climate change. In an effort to improve drought monitoring, water resource management and agriculture assessment capabilities, a multi-scale and multi-sensor framework for routine mapping of land-surface fluxes of water and energy at field to regional scales has been established. The framework uses the ALEXI (Atmosphere Land Exchange Inverse)/DisALEXI (Disaggregated ALEXI) suite of land-surface models forced by remotely sensed data from Landsat, MODIS (MODerate resolution Imaging Spectroradiometer), and GOES (Geostationary Operational Environmental Satellite). Land-surface temperature (LST) can be an effective substitute for in-situ surface moisture observations and a valuable metric for constraining land-surface fluxes at sub-field scales. The adopted multi-scale thermal-based land surface modeling framework facilitates regional to local downscaling of water and energy fluxes by using a combination of shortwave reflective and thermal infrared (TIR) imagery from GOES (4-10 km; hourly), MODIS (1 km; daily), and Landsat (30-100 m; bi-weekly). In this research the ALEXI/DisALEXI modeling suite is modified to incorporate carbon fluxes using a stomatal resistance module, which replaces the Priestley-Taylor latent heat approximation. In the module, canopy level nominal light-use-efficiency (βn) is the parameter that modulates the flux of water and carbon in and out of the canopy. Leaf chlorophyll (Chl) is a key parameter for quantifying variability in photosynthetic efficiency to facilitate the spatial distribution of coupled carbon and water retrievals. Spatial distribution of Chl are retrieved from Landsat (30 m) using a surface reflectance dataset as input to the REGularized canopy reFLECtance (REGFLEC) tool. The modified ALEXI/DisALEXI suite is applied to regions of rain fed and irrigated soybean and maize agricultural landscapes within the continental U.S. and flux estimates are compared with flux tower observations.

Multi-scale landslide hazard assessment: Advances in global and regional methodologies

NASA Astrophysics Data System (ADS)

Kirschbaum, Dalia; Peters-Lidard, Christa; Adler, Robert; Hong, Yang

2010-05-01

The increasing availability of remotely sensed surface data and precipitation provides a unique opportunity to explore how smaller-scale landslide susceptibility and hazard assessment methodologies may be applicable at larger spatial scales. This research first considers an emerging satellite-based global algorithm framework, which evaluates how the landslide susceptibility and satellite derived rainfall estimates can forecast potential landslide conditions. An analysis of this algorithm using a newly developed global landslide inventory catalog suggests that forecasting errors are geographically variable due to improper weighting of surface observables, resolution of the current susceptibility map, and limitations in the availability of landslide inventory data. These methodological and data limitation issues can be more thoroughly assessed at the regional level, where available higher resolution landslide inventories can be applied to empirically derive relationships between surface variables and landslide occurrence. The regional empirical model shows improvement over the global framework in advancing near real-time landslide forecasting efforts; however, there are many uncertainties and assumptions surrounding such a methodology that decreases the functionality and utility of this system. This research seeks to improve upon this initial concept by exploring the potential opportunities and methodological structure needed to advance larger-scale landslide hazard forecasting and make it more of an operational reality. Sensitivity analysis of the surface and rainfall parameters in the preliminary algorithm indicates that surface data resolution and the interdependency of variables must be more appropriately quantified at local and regional scales. Additionally, integrating available surface parameters must be approached in a more theoretical, physically-based manner to better represent the physical processes underlying slope instability and landslide initiation. Several rainfall infiltration and hydrological flow models have been developed to model slope instability at small spatial scales. This research investigates the potential of applying a more quantitative hydrological model to larger spatial scales, utilizing satellite and surface data inputs that are obtainable over different geographic regions. Due to the significant role that data and methodological uncertainties play in the effectiveness of landslide hazard assessment outputs, the methodology and data inputs are considered within an ensemble uncertainty framework in order to better resolve the contribution and limitations of model inputs and to more effectively communicate the model skill for improved landslide hazard assessment.

Subtypes of Developmental Dyslexia: Testing the Predictions of the Dual-Route and Connectionist Frameworks

ERIC Educational Resources Information Center

Peterson, Robin L.; Pennington, Bruce F.; Olson, Richard K.

2013-01-01

We investigated the phonological and surface subtypes of developmental dyslexia in light of competing predictions made by two computational models of single word reading, the Dual-Route Cascaded Model (DRC; Coltheart, Rastle, Perry, Langdon, & Ziegler, 2001) and Harm and Seidenberg's connectionist model (HS model; Harm & Seidenberg, 1999). The…

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.

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)

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.

Modeling interactions of agriculture and groundwater nitrate contaminants: application of The STICS-Eau-Dyssée coupled models over the Seine River Basin

NASA Astrophysics Data System (ADS)

Tavakoly, A. A.; Habets, F.; Saleh, F.; Yang, Z. L.

2017-12-01

Human activities such as the cultivation of N-fixing crops, burning of fossil fuels, discharging of industrial and domestic effluents, and extensive usage of fertilizers have recently accelerated the nitrogen loading to watersheds worldwide. Increasing nitrate concentration in surface water and groundwater is a major concern in watersheds with extensive agricultural activities. Nutrient enrichment is one of the major environmental problems in the French coastal zone. To understand and predict interactions between agriculture, surface water and groundwater nitrate contaminants, this study presents a modeling framework that couples the agronomic STICS model with Eau-Dyssée, a distributed hydrologic modeling system to simulate groundwater-surface water interaction. The coupled system is implemented on the Seine River Basin with an area of 88,000 km2 to compute daily nitrate contaminants. Representing a sophisticated hydrosystem with several aquifers and including the megalopolis of Paris, the Seine River Basin is well-known as one of the most productive agricultural areas in France. The STICS-EauDyssée framework is evaluated for a long-term simulation covering 39 years (1971-2010). Model results show that the simulated nitrate highly depends on the inflow produced by surface and subsurface waters. Daily simulation shows that the model captures the seasonal variation of observations and that the overall long-term simulation of nitrate contaminant is satisfactory at the regional scale.

Parsing multiple processes of high temperature impacts on corn/soybean yield using a newly developed CLM-APSIM modeling framework

NASA Astrophysics Data System (ADS)

Peng, B.; Guan, K.; Chen, M.

2016-12-01

Future agricultural production faces a grand challenge of higher temperature under climate change. There are multiple physiological or metabolic processes of how high temperature affects crop yield. Specifically, we consider the following major processes: (1) direct temperature effects on photosynthesis and respiration; (2) speed-up growth rate and the shortening of growing season; (3) heat stress during reproductive stage (flowering and grain-filling); (4) high-temperature induced increase of atmospheric water demands. In this work, we use a newly developed modeling framework (CLM-APSIM) to simulate the corn and soybean growth and explicitly parse the above four processes. By combining the strength of CLM in modeling surface biophysical (e.g., hydrology and energy balance) and biogeochemical (e.g., photosynthesis and carbon-nitrogen interactions), as well as that of APSIM in modeling crop phenology and reproductive stress, the newly developed CLM-APSIM modeling framework enables us to diagnose the impacts of high temperature stress through different processes at various crop phenology stages. Ground measurements from the advanced SoyFACE facility at University of Illinois is used here to calibrate, validate, and improve the CLM-APSIM modeling framework at the site level. We finally use the CLM-APSIM modeling framework to project crop yield for the whole US Corn Belt under different climate scenarios.

Remote sensing of impervious surface growth: A framework for quantifying urban expansion and re-densification mechanisms

NASA Astrophysics Data System (ADS)

Shahtahmassebi, Amir Reza; Song, Jie; Zheng, Qing; Blackburn, George Alan; Wang, Ke; Huang, Ling Yan; Pan, Yi; Moore, Nathan; Shahtahmassebi, Golnaz; Sadrabadi Haghighi, Reza; Deng, Jing Song

2016-04-01

A substantial body of literature has accumulated on the topic of using remotely sensed data to map impervious surfaces which are widely recognized as an important indicator of urbanization. However, the remote sensing of impervious surface growth has not been successfully addressed. This study proposes a new framework for deriving and summarizing urban expansion and re-densification using time series of impervious surface fractions (ISFs) derived from remotely sensed imagery. This approach integrates multiple endmember spectral mixture analysis (MESMA), analysis of regression residuals, spatial statistics (Getis_Ord) and urban growth theories; hence, the framework is abbreviated as MRGU. The performance of MRGU was compared with commonly used change detection techniques in order to evaluate the effectiveness of the approach. The results suggested that the ISF regression residuals were optimal for detecting impervious surface changes while Getis_Ord was effective for mapping hotspot regions in the regression residuals image. Moreover, the MRGU outputs agreed with the mechanisms proposed in several existing urban growth theories, but importantly the outputs enable the refinement of such models by explicitly accounting for the spatial distribution of both expansion and re-densification mechanisms. Based on Landsat data, the MRGU is somewhat restricted in its ability to measure re-densification in the urban core but this may be improved through the use of higher spatial resolution satellite imagery. The paper ends with an assessment of the present gaps in remote sensing of impervious surface growth and suggests some solutions. The application of impervious surface fractions in urban change detection is a stimulating new research idea which is driving future research with new models and algorithms.

Managing complexity in simulations of land surface and near-surface processes

DOE PAGES

Coon, Ethan T.; Moulton, J. David; Painter, Scott L.

2016-01-12

Increasing computing power and the growing role of simulation in Earth systems science have led to an increase in the number and complexity of processes in modern simulators. We present a multiphysics framework that specifies interfaces for coupled processes and automates weak and strong coupling strategies to manage this complexity. Process management is enabled by viewing the system of equations as a tree, where individual equations are associated with leaf nodes and coupling strategies with internal nodes. A dynamically generated dependency graph connects a variable to its dependencies, streamlining and automating model evaluation, easing model development, and ensuring models aremore » modular and flexible. Additionally, the dependency graph is used to ensure that data requirements are consistent between all processes in a given simulation. Here we discuss the design and implementation of these concepts within the Arcos framework, and demonstrate their use for verification testing and hypothesis evaluation in numerical experiments.« less

Continuum mesoscopic framework for multiple interacting species and processes on multiple site types and/or crystallographic planes.

PubMed

Chatterjee, Abhijit; Vlachos, Dionisios G

2007-07-21

While recently derived continuum mesoscopic equations successfully bridge the gap between microscopic and macroscopic physics, so far they have been derived only for simple lattice models. In this paper, general deterministic continuum mesoscopic equations are derived rigorously via nonequilibrium statistical mechanics to account for multiple interacting surface species and multiple processes on multiple site types and/or different crystallographic planes. Adsorption, desorption, reaction, and surface diffusion are modeled. It is demonstrated that contrary to conventional phenomenological continuum models, microscopic physics, such as the interaction potential, determines the final form of the mesoscopic equation. Models of single component diffusion and binary diffusion of interacting particles on single-type site lattice and of single component diffusion on complex microporous materials' lattices consisting of two types of sites are derived, as illustrations of the mesoscopic framework. Simplification of the diffusion mesoscopic model illustrates the relation to phenomenological models, such as the Fickian and Maxwell-Stefan transport models. It is demonstrated that the mesoscopic equations are in good agreement with lattice kinetic Monte Carlo simulations for several prototype examples studied.

Coupling a distributed hydrological model with detailed forest structural information for large-scale global change impact assessment

NASA Astrophysics Data System (ADS)

Eisner, Stephanie; Huang, Shaochun; Majasalmi, Titta; Bright, Ryan; Astrup, Rasmus; Beldring, Stein

2017-04-01

Forests are recognized for their decisive effect on landscape water balance with structural forest characteristics as stand density or species composition determining energy partitioning and dominant flow paths. However, spatial and temporal variability in forest structure is often poorly represented in hydrological modeling frameworks, in particular in regional to large scale hydrological modeling and impact analysis. As a common practice, prescribed land cover classes (including different generic forest types) are linked to parameter values derived from literature, or parameters are determined by calibration. While national forest inventory (NFI) data provide comprehensive, detailed information on hydrologically relevant forest characteristics, their potential to inform hydrological simulation over larger spatial domains is rarely exploited. In this study we present a modeling framework that couples the distributed hydrological model HBV with forest structural information derived from the Norwegian NFI and multi-source remote sensing data. The modeling framework, set up for the entire of continental Norway at 1 km spatial resolution, is explicitly designed to study the combined and isolated impacts of climate change, forest management and land use change on hydrological fluxes. We use a forest classification system based on forest structure rather than biomes which allows to implicitly account for impacts of forest management on forest structural attributes. In the hydrological model, different forest classes are represented by three parameters: leaf area index (LAI), mean tree height and surface albedo. Seasonal cycles of LAI and surface albedo are dynamically simulated to make the framework applicable under climate change conditions. Based on a hindcast for the pilot regions Nord-Trøndelag and Sør-Trøndelag, we show how forest management has affected regional hydrological fluxes during the second half of the 20th century as contrasted to climate variability.

Data Assimilation of InSAR Surface Deformation Measurements for the Estimation of Reservoir Geomechanical Parameters in the Upper Adriatic Sedimentary Basin, Italy

NASA Astrophysics Data System (ADS)

Bau, D. A.; Alzraiee, A.; Ferronato, M.; Gambolati, G.; Teatini, P.

2012-12-01

In the last decades, extensive work has been conducted to estimate land subsidence due the development of deep gas reservoirs situated in the Upper Adriatic sedimentary basin, Italy. These modeling efforts have stemmed from the development finite-element (FE) coupled reservoir-geomechanical models that can simulate the deformation due to the change in pore pressure induced by hydrocarbon production from the geological formations. However, the application of these numerical models has often been limited by the uncertainty in the hydrogeological and poro-mechanical input parameters that are necessary to simulate the impact on ground surface levels of past and/or future gas-field development scenarios. Resolving these uncertainties is of paramount importance, particularly the Northern Adriatic region, given the low elevation above the mean sea level observed along most of the coastline and in the areas surrounding the Venice Lagoon. In this work, we present a state-of-the-art data assimilation (DA) framework to incorporate measurements of displacement of the land surface obtained using Satellite Interferometric Synthetic Aperture Radar (InSAR) techniques into the response of geomechanical simulation models. In Northern Italy, InSAR measurement campaigns have been carried out over a depleted gas reservoir, referred to as "Lombardia", located at a depth of about 1200 m in the sedimentary basin of the Po River plain. In the last years, this reservoir has been used for underground gas storage and recovery (GSR). Because of the pore pressure periodical alternation produced by GSR, reservoir formations have undergone loading/unloading cycles, experiencing effective stress changes that have induced periodical variation of ground surface levels. Over the Lombardia reservoir, the pattern, magnitude and timing of time-laps land displacements both in the vertical and in the East-West directions have been acquired from 2003 until 2008. The availability of these data opens new pathways towards the improvement of current land subsidence modeling efforts. The DA framework presented here allows for merging, within an automated process, InSAR data into coupled reservoir-geomechanical model results. The framework relies upon Bayesian-based ensemble smoothing algorithms and has the potential to significantly reduce the uncertainty associated with compressibility vs. effective stress constitutive laws, as well as key geomechanical parameters characterizing the orthotropic behavior of the reservoir porous media and their spatial distribution. The DA framework is here applied using InSAR data collected over the "Lombardia" reservoir. The flexibility of smoothing algorithms is such that spatially distributed and possibly correlated measurement errors are accounted for in a relatively straightforward fashion, so that surface deformation data that are considered more reliable can be assigned a larger weight within the model calibration. A series of numerical simulation results are presented in order to assess the capabilities of the DA framework, its effectiveness, advantages and limitations.

A framework for correcting brain retraction based on an eXtended Finite Element Method using a laser range scanner.

PubMed

Li, Ping; Wang, Weiwei; Song, Zhijian; An, Yong; Zhang, Chenxi

2014-07-01

Brain retraction causes great distortion that limits the accuracy of an image-guided neurosurgery system that uses preoperative images. Therefore, brain retraction correction is an important intraoperative clinical application. We used a linear elastic biomechanical model, which deforms based on the eXtended Finite Element Method (XFEM) within a framework for brain retraction correction. In particular, a laser range scanner was introduced to obtain a surface point cloud of the exposed surgical field including retractors inserted into the brain. A brain retraction surface tracking algorithm converted these point clouds into boundary conditions applied to XFEM modeling that drive brain deformation. To test the framework, we performed a brain phantom experiment involving the retraction of tissue. Pairs of the modified Hausdorff distance between Canny edges extracted from model-updated images, pre-retraction, and post-retraction CT images were compared to evaluate the morphological alignment of our framework. Furthermore, the measured displacements of beads embedded in the brain phantom and the predicted ones were compared to evaluate numerical performance. The modified Hausdorff distance of 19 pairs of images decreased from 1.10 to 0.76 mm. The forecast error of 23 stainless steel beads in the phantom was between 0 and 1.73 mm (mean 1.19 mm). The correction accuracy varied between 52.8 and 100 % (mean 81.4 %). The results demonstrate that the brain retraction compensation can be incorporated intraoperatively into the model-updating process in image-guided neurosurgery systems.

Classical theory of atom-surface scattering: The rainbow effect

NASA Astrophysics Data System (ADS)

Miret-Artés, Salvador; Pollak, Eli

The scattering of heavy atoms and molecules from surfaces is oftentimes dominated by classical mechanics. A large body of experiments have gathered data on the angular distributions of the scattered species, their energy loss distribution, sticking probability, dependence on surface temperature and more. For many years these phenomena have been considered theoretically in the framework of the "washboard model" in which the interaction of the incident particle with the surface is described in terms of hard wall potentials. Although this class of models has helped in elucidating some of the features it left open many questions such as: true potentials are clearly not hard wall potentials, it does not provide a realistic framework for phonon scattering, and it cannot explain the incident angle and incident energy dependence of rainbow scattering, nor can it provide a consistent theory for sticking. In recent years we have been developing a classical perturbation theory approach which has provided new insight into the dynamics of atom-surface scattering. The theory includes both surface corrugation as well as interaction with surface phonons in terms of harmonic baths which are linearly coupled to the system coordinates. This model has been successful in elucidating many new features of rainbow scattering in terms of frictions and bath fluctuations or noise. It has also given new insight into the origins of asymmetry in atomic scattering from surfaces. New phenomena deduced from the theory include friction induced rainbows, energy loss rainbows, a theory of super-rainbows, and more. In this review we present the classical theory of atom-surface scattering as well as extensions and implications for semiclassical scattering and the further development of a quantum theory of surface scattering. Special emphasis is given to the inversion of scattering data into information on the particle-surface interactions.

Numerical simulation of the fracture process in ceramic FPD frameworks caused by oblique loading.

PubMed

Kou, Wen; Qiao, Jiyan; Chen, Li; Ding, Yansheng; Sjögren, Göran

2015-10-01

Using a newly developed three-dimensional (3D) numerical modeling code, an analysis was performed of the fracture behavior in a three-unit ceramic-based fixed partial denture (FPD) framework subjected to oblique loading. All the materials in the study were treated heterogeneously; Weibull׳s distribution law was applied to the description of the heterogeneity. The Mohr-Coulomb failure criterion with tensile strength cut-off was utilized in judging whether the material was in an elastic or failed state. The simulated loading area was placed either on the buccal or the lingual cusp of a premolar-shaped pontic with the loading direction at 30°, 45°, 60°, 75° or 90° angles to the occlusal surface. The stress distribution, fracture initiation and propagation in the framework during the loading and fracture process were analyzed. This numerical simulation allowed the cause of the framework fracture to be identified as tensile stress failure. The decisive fracture was initiated in the gingival embrasure of the pontic, regardless of whether the buccal or lingual cusp of the pontic was loaded. The stress distribution and fracture propagation process of the framework could be followed step by step from beginning to end. The bearing capacity and the rigidity of the framework vary with the loading position and direction. The framework loaded with 90° towards the occlusal surface has the highest bearing capacity and the greatest rigidity. The framework loaded with 30° towards the occlusal surface has the least rigidity indicating that oblique loading has a major impact on the fracture of ceramic frameworks. Copyright © 2015 Elsevier Ltd. All rights reserved.

Applications of Satellite Remote Sensing Products to Enhance and Evaluate the AIRPACT Regional Air Quality Modeling System

NASA Astrophysics Data System (ADS)

Herron-Thorpe, F. L.; Mount, G. H.; Emmons, L. K.; Lamb, B. K.; Jaffe, D. A.; Wigder, N. L.; Chung, S. H.; Zhang, R.; Woelfle, M.; Vaughan, J. K.; Leung, F. T.

2013-12-01

The WSU AIRPACT air quality modeling system for the Pacific Northwest forecasts hourly levels of aerosols and atmospheric trace gases for use in determining potential health and ecosystem impacts by air quality managers. AIRPACT uses the WRF/SMOKE/CMAQ modeling framework, derives dynamic boundary conditions from MOZART-4 forecast simulations with assimilated MOPITT CO, and uses the BlueSky framework to derive fire emissions. A suite of surface measurements and satellite-based remote sensing data products across the AIRPACT domain are used to evaluate and improve model performance. Specific investigations include anthropogenic emissions, wildfire simulations, and the effects of long-range transport on surface ozone. In this work we synthesize results for multiple comparisons of AIRPACT with satellite products such as IASI ammonia, AIRS carbon monoxide, MODIS AOD, OMI tropospheric ozone and nitrogen dioxide, and MISR plume height. Features and benefits of the newest version of AIRPACT's web-interface are also presented.

Trapping gases in metal-organic frameworks with a selective surface molecular barrier layer

DOE PAGES

Tan, Kui; Zuluaga, Sebastian; Fuentes, Erika; ...

2016-12-13

The main challenge for gas storage and separation in nanoporous materials is that many molecules of interest adsorb too weakly to be effectively retained. Instead of synthetically modifying the internal surface structure of the entire bulk—as is typically done to enhance adsorption—here we show that post exposure of a prototypical porous metal-organic framework to ethylenediamine can effectively retain a variety of weakly adsorbing molecules (for example, CO, CO 2, SO 2, C 2H 4, NO) inside the materials by forming a monolayer-thick cap at the external surface of microcrystals. Furthermore, this capping mechanism, based on hydrogen bonding as explained bymore » ab initio modelling, opens the door for potential selectivity. For example, water molecules are shown to disrupt the hydrogen-bonded amine network and diffuse through the cap without hindrance and fully displace/release the retained small molecules out of the metal-organic framework at room temperature. Lastly, these findings may provide alternative strategies for gas storage, delivery and separation.« less

Climatic and physiographic controls of spatial variability in surface water balance over the contiguous United States using the Budyko relationship

NASA Astrophysics Data System (ADS)

Abatzoglou, John T.; Ficklin, Darren L.

2017-09-01

The geographic variability in the partitioning of precipitation into surface runoff (Q) and evapotranspiration (ET) is fundamental to understanding regional water availability. The Budyko equation suggests this partitioning is strictly a function of aridity, yet observed deviations from this relationship for individual watersheds impede using the framework to model surface water balance in ungauged catchments and under future climate and land use scenarios. A set of climatic, physiographic, and vegetation metrics were used to model the spatial variability in the partitioning of precipitation for 211 watersheds across the contiguous United States (CONUS) within Budyko's framework through the free parameter ω. A generalized additive model found that four widely available variables, precipitation seasonality, the ratio of soil water holding capacity to precipitation, topographic slope, and the fraction of precipitation falling as snow, explained 81.2% of the variability in ω. The ω model applied to the Budyko equation explained 97% of the spatial variability in long-term Q for an independent set of watersheds. The ω model was also applied to estimate the long-term water balance across the CONUS for both contemporary and mid-21st century conditions. The modeled partitioning of observed precipitation to Q and ET compared favorably across the CONUS with estimates from more sophisticated land-surface modeling efforts. For mid-21st century conditions, the model simulated an increase in the fraction of precipitation used by ET across the CONUS with declines in Q for much of the eastern CONUS and mountainous watersheds across the western United States.

Back-support large laser mirror unit: mounting modeling and analysis

NASA Astrophysics Data System (ADS)

Wang, Hui; Zhang, Zheng; Long, Kai; Liu, Tianye; Li, Jun; Liu, Changchun; Xiong, Zhao; Yuan, Xiaodong

2018-01-01

In high-power laser system, the surface wavefront of large optics has a close link with its structure design and mounting method. The back-support transport mirror design is presently being investigated as a means in China's high-power laser system to hold the optical component firmly while minimizing the distortion of its reflecting surface. We have proposed a comprehensive analytical framework integrated numerical modeling and precise metrology for the mirror's mounting performance evaluation while treating the surface distortion as a key decision variable. The combination of numerical simulation and field tests demonstrates that the comprehensive analytical framework provides a detailed and accurate approach to evaluate the performance of the transport mirror. It is also verified that the back-support transport mirror is effectively compatible with state-of-the-art optical quality specifications. This study will pave the way for future research to solidify the design of back-support large laser optics in China's next generation inertial confinement fusion facility.

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

PubMed

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

2007-06-21

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

Calibration strategies for a groundwater model in a highly dynamic alpine floodplain

USGS Publications Warehouse

Foglia, L.; Burlando, P.; Hill, Mary C.; Mehl, S.

2004-01-01

Most surface flows to the 20-km-long Maggia Valley in Southern Switzerland are impounded and the valley is being investigated to determine environmental flow requirements. The aim of the investigation is the devel-opment of a modelling framework that simulates the dynamics of the ground-water, hydrologic, and ecologic systems. Because of the multi-scale nature of the modelling framework, large-scale models are first developed to provide the boundary conditions for more detailed models of reaches that are of eco-logical importance. We describe here the initial (large-scale) groundwa-ter/surface water model and its calibration in relation to initial and boundary conditions. A MODFLOW-2000 model was constructed to simulate the inter-action of groundwater and surface water and was developed parsimoniously to avoid modelling artefacts and parameter inconsistencies. Model calibration includes two steady-state conditions, with and without recharge to the aquifer from the adjoining hillslopes. Parameters are defined to represent areal re-charge, hydraulic conductivity of the aquifer (up to 5 classes), and streambed hydraulic conductivity. Model performance was investigated following two system representation. The first representation assumed unknown flow input at the northern end of the groundwater domain and unknown lateral inflow. The second representation used simulations of the lateral flow obtained by means of a raster-based, physically oriented and continuous in time rainfall-runoff (R-R) model. Results based on these two representations are compared and discussed.

Dust evolution, a global view: III. Core/mantle grains, organic nano-globules, comets and surface chemistry

NASA Astrophysics Data System (ADS)

Jones, A. P.

2016-12-01

Within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS), this work explores the surface processes and chemistry relating to core/mantle interstellar and cometary grain structures and their influence on the nature of these fascinating particles. It appears that a realistic consideration of the nature and chemical reactivity of interstellar grain surfaces could self-consistently and within a coherent framework explain: the anomalous oxygen depletion, the nature of the CO dark gas, the formation of `polar ice' mantles, the red wing on the 3 μm water ice band, the basis for the O-rich chemistry observed in hot cores, the origin of organic nano-globules and the 3.2 μm `carbonyl' absorption band observed in comet reflectance spectra. It is proposed that the reaction of gas phase species with carbonaceous a-C(:H) grain surfaces in the interstellar medium, in particular the incorporation of atomic oxygen into grain surfaces in epoxide functional groups, is the key to explaining these observations. Thus, the chemistry of cosmic dust is much more intimately related with that of the interstellar gas than has previously been considered. The current models for interstellar gas and dust chemistry will therefore most likely need to be fundamentally modified to include these new grain surface processes.

What determines transitions between energy- and moisture-limited evaporative regimes?

NASA Astrophysics Data System (ADS)

Haghighi, E.; Gianotti, D.; Akbar, R.; Salvucci, G.; Entekhabi, D.

2017-12-01

The relationship between evaporative fraction (EF) and soil moisture (SM) has traditionally been used in atmospheric and land-surface modeling communities to determine the strength of land-atmosphere coupling in the context of the dominant evaporative regime (energy- or moisture-limited). However, recent field observations reveal that EF-SM relationship is not unique and could vary substantially with surface and/or meteorological conditions. This implies that conventional EF-SM relationships (exclusive of surface and meteorological conditions) are embedded in more complex dependencies and that in fact it is a multi-dimensional function. To fill the fundamental knowledge gaps on the important role of varying surface and meteorological conditions not accounted for by the traditional evaporative regime conceptualization, we propose a generalized EF framework using a mechanistic pore-scale model for evaporation and energy partitioning over drying soil surfaces. Nonlinear interactions among the components of the surface energy balance are reflected in a critical SM that marks the onset of transition between energy- and moisture-limited evaporative regimes. The new generalized EF framework enables physically based estimates of the critical SM, and provides new insights into the origin of land surface EF partitioning linked to meteorological input data and the evolution of land surface temperature during surface drying that affect the relative efficiency of surface energy balance components. Our results offer new opportunities to advance predictive capabilities quantifying land-atmosphere coupling for a wide range of present and projected meteorological input data.

Regional scale hydrology with a new land surface processes model

NASA Technical Reports Server (NTRS)

Laymon, Charles; Crosson, William

1995-01-01

Through the CaPE Hydrometeorology Project, we have developed an understanding of some of the unique data quality issues involved in assimilating data of disparate types for regional-scale hydrologic modeling within a GIS framework. Among others, the issues addressed here include the development of adequate validation of the surface water budget, implementation of the STATSGO soil data set, and implementation of a remote sensing-derived landcover data set to account for surface heterogeneity. A model of land surface processes has been developed and used in studies of the sensitivity of surface fluxes and runoff to soil and landcover characterization. Results of these experiments have raised many questions about how to treat the scale-dependence of land surface-atmosphere interactions on spatial and temporal variability. In light of these questions, additional modifications are being considered for the Marshall Land Surface Processes Model. It is anticipated that these techniques can be tested and applied in conjunction with GCIP activities over regional scales.

Impact of land surface conditions on the predictability of hydrologic processes and mountain-valley circulations in the North American Monsoon region

NASA Astrophysics Data System (ADS)

Xiang, T.; Vivoni, E. R.; Gochis, D. J.; Mascaro, G.

2015-12-01

Heterogeneous land surface conditions are essential components of land-atmosphere interactions in regions of complex terrain and have the potential to affect convective precipitation formation. Yet, due to their high complexity, hydrologic processes over mountainous regions are not well understood, and are usually parameterized in simple ways within coupled land-atmosphere modeling frameworks. With the improving model physics and spatial resolution of numerical weather prediction models, there is an urgent need to understand how land surface processes affect local and regional meteorological processes. In the North American Monsoon (NAM) region, the summer rainy season is accompanied by a dramatic greening of mountain ecosystems that adds spatiotemporal variability in vegetation which is anticipated to impact the conditions leading to convection, mountain-valley circulations and mesoscale organization. In this study, we present results from a detailed analysis of a high-resolution (1 km) land surface model, Noah-MP, in a large, mountainous watershed of the NAM region - the Rio Sonora (21,264 km2) in Mexico. In addition to capturing the spatial variations in terrain and soil distributions, recently-developed features in Noah-MP allow the model to read time-varying vegetation parameters derived from remotely-sensed vegetation indices; however, this new implementation has not been fully evaluated. Therefore, we assess the simulated spatiotemporal fields of soil moisture, surface temperature and surface energy fluxes through comparisons to remote sensing products and results from coarser land surface models obtained from the North American Land Data Assimilation System. We focus attention on the impact of vegetation changes along different elevation bands on the diurnal cycle of surface energy fluxes to provide a baseline for future analyses of mountain-valley circulations using a coupled land-atmosphere modeling system. Our study also compares limited streamflow observations in the large watershed to simulations using the terrain and channel routing when Noah-MP is run within the WRF-Hydro modeling framework, with the goals of validating the rainfall-runoff partitioning and translating the spatiotemporal mountain processes into improvements in streamflow predictions.

A Smart Modeling Framework for Integrating BMI-enabled Models as Web Services

NASA Astrophysics Data System (ADS)

Jiang, P.; Elag, M.; Kumar, P.; Peckham, S. D.; Liu, R.; Marini, L.; Hsu, L.

2015-12-01

Serviced-oriented computing provides an opportunity to couple web service models using semantic web technology. Through this approach, models that are exposed as web services can be conserved in their own local environment, thus making it easy for modelers to maintain and update the models. In integrated modeling, the serviced-oriented loose-coupling approach requires (1) a set of models as web services, (2) the model metadata describing the external features of a model (e.g., variable name, unit, computational grid, etc.) and (3) a model integration framework. We present the architecture of coupling web service models that are self-describing by utilizing a smart modeling framework. We expose models that are encapsulated with CSDMS (Community Surface Dynamics Modeling System) Basic Model Interfaces (BMI) as web services. The BMI-enabled models are self-describing by uncovering models' metadata through BMI functions. After a BMI-enabled model is serviced, a client can initialize, execute and retrieve the meta-information of the model by calling its BMI functions over the web. Furthermore, a revised version of EMELI (Peckham, 2015), an Experimental Modeling Environment for Linking and Interoperability, is chosen as the framework for coupling BMI-enabled web service models. EMELI allows users to combine a set of component models into a complex model by standardizing model interface using BMI as well as providing a set of utilities smoothing the integration process (e.g., temporal interpolation). We modify the original EMELI so that the revised modeling framework is able to initialize, execute and find the dependencies of the BMI-enabled web service models. By using the revised EMELI, an example will be presented on integrating a set of topoflow model components that are BMI-enabled and exposed as web services. Reference: Peckham, S.D. (2014) EMELI 1.0: An experimental smart modeling framework for automatic coupling of self-describing models, Proceedings of HIC 2014, 11th International Conf. on Hydroinformatics, New York, NY.

A Modeling Framework for Inference of Surface Emissions Using Mobile Observations

NASA Astrophysics Data System (ADS)

Fasoli, B.; Mitchell, L.; Crosman, E.; Mendoza, D. L.; Lin, J. C.

2016-12-01

Our ability to quantify surface emissions depends on the precision of observations and the spatial density of measurement networks. Mobile measurement techniques offer a cost effective strategy for quantifying atmospheric conditions over space without requiring a dense network of in-situ sites. However, interpretation of these data and inversion of dispersed measurements to estimate surface emissions can be difficult. We introduce a framework using the Stochastic Time-Inverted Lagrangian Transport (STILT) model that assimilates both spatially resolved observations and an emissions inventory to better estimate surface fluxes. Salt Lake City is a unique laboratory for the study of urban carbon emissions. It is the only U.S. city that utilizes light-rail trains to continuously measure high frequency carbon dioxide (CO2) and methane (CH4); it is home to one of the longest and most spatially resolved high precision CO2 measurement networks (air.utah.edu); and it is one of four cities in the world for which the Hestia anthropogenic emissions inventory has been produced which characterizes CO2 emissions at the scale of individual buildings and roadways. Using these data and modeling resources, we evaluate spatially resolved CO2 measurements and transported CO2 emissions on hourly timescales at a dense spatial resolution across Salt Lake City.

Numerical Simulation of the Interaction of an Air Shock Wave with a Surface Gas-Dust Layer

NASA Astrophysics Data System (ADS)

Surov, V. S.

2018-05-01

Within the framework of the one-velocity and multivelocity models of a dust-laden gas with the use of the Godunov method with a linearized Riemann solver, the problem of the interaction of a shock wave with a dust-laden gas layer located along a solid plane surface has been studied.

Numerical Simulation of the Interaction of an Air Shock Wave with a Surface Gas-Dust Layer

NASA Astrophysics Data System (ADS)

Surov, V. S.

2018-03-01

Within the framework of the one-velocity and multivelocity models of a dust-laden gas with the use of the Godunov method with a linearized Riemann solver, the problem of the interaction of a shock wave with a dust-laden gas layer located along a solid plane surface has been studied.

Airborne electromagnetic mapping of the base of aquifer in areas of western Nebraska

USGS Publications Warehouse

Abraham, Jared D.; Cannia, James C.; Bedrosian, Paul A.; Johnson, Michaela R.; Ball, Lyndsay B.; Sibray, Steven S.

2012-01-01

Airborne geophysical surveys of selected areas of the North and South Platte River valleys of Nebraska, including Lodgepole Creek valley, collected data to map aquifers and bedrock topography and thus improve the understanding of groundwater - surface-water relationships to be used in water-management decisions. Frequency-domain helicopter electromagnetic surveys, using a unique survey flight-line design, collected resistivity data that can be related to lithologic information for refinement of groundwater model inputs. To make the geophysical data useful to multidimensional groundwater models, numerical inversion converted measured data into a depth-dependent subsurface resistivity model. The inverted resistivity model, along with sensitivity analyses and test-hole information, is used to identify hydrogeologic features such as bedrock highs and paleochannels, to improve estimates of groundwater storage. The two- and three-dimensional interpretations provide the groundwater modeler with a high-resolution hydrogeologic framework and a quantitative estimate of framework uncertainty. The new hydrogeologic frameworks improve understanding of the flow-path orientation by refining the location of paleochannels and associated base of aquifer highs. These interpretations provide resource managers high-resolution hydrogeologic frameworks and quantitative estimates of framework uncertainty. The improved base of aquifer configuration represents the hydrogeology at a level of detail not achievable with previously available data.

Time-series modeling and prediction of global monthly absolute temperature for environmental decision making

NASA Astrophysics Data System (ADS)

Ye, Liming; Yang, Guixia; Van Ranst, Eric; Tang, Huajun

2013-03-01

A generalized, structural, time series modeling framework was developed to analyze the monthly records of absolute surface temperature, one of the most important environmental parameters, using a deterministicstochastic combined (DSC) approach. Although the development of the framework was based on the characterization of the variation patterns of a global dataset, the methodology could be applied to any monthly absolute temperature record. Deterministic processes were used to characterize the variation patterns of the global trend and the cyclic oscillations of the temperature signal, involving polynomial functions and the Fourier method, respectively, while stochastic processes were employed to account for any remaining patterns in the temperature signal, involving seasonal autoregressive integrated moving average (SARIMA) models. A prediction of the monthly global surface temperature during the second decade of the 21st century using the DSC model shows that the global temperature will likely continue to rise at twice the average rate of the past 150 years. The evaluation of prediction accuracy shows that DSC models perform systematically well against selected models of other authors, suggesting that DSC models, when coupled with other ecoenvironmental models, can be used as a supplemental tool for short-term (˜10-year) environmental planning and decision making.

New insight in the nature of surface magnetic anisotropy in iron borate

NASA Astrophysics Data System (ADS)

Strugatsky, M.; Seleznyova, K.; Zubov, V.; Kliava, J.

2018-02-01

The theory of surface magnetism of iron borate, FeBO3, has been extended by taking into consideration a crystal field contribution to the surface magnetic anisotropy energy. For this purpose, a model of distortion of the six-fold oxygen environment of iron ions in the near-surface layer of iron borate has been put forward. The spin Hamiltonian parameters for isolated Fe3+ ions in the distorted environment of the near-surface layer have been calculated using the Newman's superposition model. The crystal field contribution to the surface magnetic anisotropy energy has been calculated in the framework of the perturbation theory. The model developed allows concluding that the distortions of the iron environment produce a significant crystal field contribution to the surface magnetic anisotropy constant. The results of experimental studies of the surface magnetic anisotropy in iron borate can be described assuming the existence of relative contractions in the near-surface layer of the order of 1 %.

Development of reliable pavement models.

DOT National Transportation Integrated Search

2011-05-01

The current report proposes a framework for estimating the reliability of a given pavement structure as analyzed by : the Mechanistic-Empirical Pavement Design Guide (MEPDG). The methodology proposes using a previously fit : response surface, in plac...

Recent numerical and algorithmic advances within the volume tracking framework for modeling interfacial flows

DOE PAGES

François, Marianne M.

2015-05-28

A review of recent advances made in numerical methods and algorithms within the volume tracking framework is presented. The volume tracking method, also known as the volume-of-fluid method has become an established numerical approach to model and simulate interfacial flows. Its advantage is its strict mass conservation. However, because the interface is not explicitly tracked but captured via the material volume fraction on a fixed mesh, accurate estimation of the interface position, its geometric properties and modeling of interfacial physics in the volume tracking framework remain difficult. Several improvements have been made over the last decade to address these challenges.more » In this study, the multimaterial interface reconstruction method via power diagram, curvature estimation via heights and mean values and the balanced-force algorithm for surface tension are highlighted.« less

Helping Health Care Providers and Clinical Scientists Understand Apparently Irrational Policy Decisions.

PubMed

Demeter, Sandor J

2016-12-21

Health care providers (HCP) and clinical scientists (CS) are generally most comfortable using evidence-based rational decision-making models. They become very frustrated when policymakers make decisions that, on the surface, seem irrational and unreasonable. However, such decisions usually make sense when analysed properly. The goal of this paper to provide a basic theoretical understanding of major policy models, to illustrate which models are most prevalent in publicly funded health care systems, and to propose a policy analysis framework to better understand the elements that drive policy decision-making. The proposed policy framework will also assist HCP and CS achieve greater success with their own proposals.

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.

Modeling Images of Natural 3D Surfaces: Overview and Potential Applications

NASA Technical Reports Server (NTRS)

Jalobeanu, Andre; Kuehnel, Frank; Stutz, John

2004-01-01

Generative models of natural images have long been used in computer vision. However, since they only describe the of 2D scenes, they fail to capture all the properties of the underlying 3D world. Even though such models are sufficient for many vision tasks a 3D scene model is when it comes to inferring a 3D object or its characteristics. In this paper, we present such a generative model, incorporating both a multiscale surface prior model for surface geometry and reflectance, and an image formation process model based on realistic rendering, the computation of the posterior model parameter densities, and on the critical aspects of the rendering. We also how to efficiently invert the model within a Bayesian framework. We present a few potential applications, such as asteroid modeling and Planetary topography recovery, illustrated by promising results on real images.

Laser-induced generation of surface periodic structures in media with nonlinear diffusion

NASA Astrophysics Data System (ADS)

Zhuravlev, V. M.; Zolotovskii, I. O.; Korobko, D. A.; Morozov, V. M.; Svetukhin, V. V.; Yavtushenko, I. O.; Yavtushenko, M. S.

2017-12-01

A model of fast formation of high-contrast periodic structure appearing on a semiconductor surface under action of laser radiation is proposed. The process of growing a surface structure due to the interaction surface plasmon- polaritons excited on nonequilibrium electrons with incident laser radiation are considered in the framework of a medium with nonlinear diffusion of nonequilibrium carriers (defects). A resonance effect of superfast pico- and subpicosecond amplification of the plasmon-polariton structure generated on the surface, the realization of which can result in a high-contrast defect lattice.

Critical Watersheds: Climate Change, Tipping Points, and Energy-Water Impacts

NASA Astrophysics Data System (ADS)

Middleton, R. S.; Brown, M.; Coon, E.; Linn, R.; McDowell, N. G.; Painter, S. L.; Xu, C.

2014-12-01

Climate change, extreme climate events, and climate-induced disturbances will have a substantial and detrimental impact on terrestrial ecosystems. How ecosystems respond to these impacts will, in turn, have a significant effect on the quantity, quality, and timing of water supply for energy security, agriculture, industry, and municipal use. As a community, we lack sufficient quantitative and mechanistic understanding of the complex interplay between climate extremes (e.g., drought, floods), ecosystem dynamics (e.g., vegetation succession), and disruptive events (e.g., wildfire) to assess ecosystem vulnerabilities and to design mitigation strategies that minimize or prevent catastrophic ecosystem impacts. Through a combination of experimental and observational science and modeling, we are developing a unique multi-physics ecohydrologic framework for understanding and quantifying feedbacks between novel climate and extremes, surface and subsurface hydrology, ecosystem dynamics, and disruptive events in critical watersheds. The simulation capability integrates and advances coupled surface-subsurface hydrology from the Advanced Terrestrial Simulator (ATS), dynamic vegetation succession from the Ecosystem Demography (ED) model, and QUICFIRE, a novel wildfire behavior model developed from the FIRETEC platform. These advances are expected to make extensive contributions to the literature and to earth system modeling. The framework is designed to predict, quantify, and mitigate the impacts of climate change on vulnerable watersheds, with a focus on the US Mountain West and the energy-water nexus. This emerging capability is used to identify tipping points in watershed ecosystems, quantify impacts on downstream users, and formally evaluate mitigation efforts including forest (e.g., thinning, prescribed burns) and watershed (e.g., slope stabilization). The framework is being trained, validated, and demonstrated using field observations and remote data collections in the Valles Caldera National Preserve, including pre- and post-wildfire and infestation observations. Ultimately, the framework will be applied to the upper Colorado River basin. Here, we present an overview of the framework development strategy and latest field and modeling results.

Three-dimensional geologic model of the Arbuckle-Simpson aquifer, south-central Oklahoma

USGS Publications Warehouse

Faith, Jason R.; Blome, Charles D.; Pantea, Michael P.; Puckette, James O.; Halihan, Todd; Osborn, Noel; Christenson, Scott; Pack, Skip

2010-01-01

The Arbuckle-Simpson aquifer of south-central Oklahoma encompasses more than 850 square kilometers and is the principal water resource for south-central Oklahoma. Rock units comprising the aquifer are characterized by limestone, dolomite, and sandstones assigned to two lower Paleozoic units: the Arbuckle and Simpson Groups. Also considered to be part of the aquifer is the underlying Cambrian-age Timbered Hills Group that contains limestone and sandstone. The highly faulted and fractured nature of the Arbuckle-Simpson units and the variable thickness (600 to 2,750 meters) increases the complexity in determining the subsurface geologic framework of this aquifer. A three-dimensional EarthVision (Trademark) geologic framework model was constructed to quantify the geometric relationships of the rock units of the Arbuckle-Simpson aquifer in the Hunton anticline area. This 3-D EarthVision (Trademark) geologic framework model incorporates 54 faults and four modeled units: basement, Arbuckle-Timbered Hills Group, Simpson Group, and post-Simpson. Primary data used to define the model's 54 faults and four modeled surfaces were obtained from geophysical logs, cores, and cuttings from 126 water and petroleum wells. The 3-D framework model both depicts the volumetric extent of the aquifer and provides the stratigraphic layer thickness and elevation data used to construct a MODFLOW version 2000 regional groundwater-flow model.

The National Danish Water Resources Model - using an integrated groundwater - surface water model for decision support and WFD implementation in a changing climate

NASA Astrophysics Data System (ADS)

Lajer Hojberg, Anker; Hinsby, Klaus; Jørgen Henriksen, Hans; Troldborg, Lars

2014-05-01

Integrated and sustainable water resources management and development of river basin management plans according to the Water Framework Directive is getting increasingly complex especially when taking projected climate change into account. Furthermore, uncertainty in future developments and incomplete knowledge of the physical system introduces a high degree of uncertainty in the decision making process. Knowledge based decision making is therefore vital for formulation of robust management plans and to allow assessment of the inherent uncertainties. The Department of Hydrology at the Geological Survey of Denmark and Greenland started in 1996 to develop a mechanistically, transient and spatially distributed groundwater-surface water model - the DK-model - for the assessment of groundwater quantitative status accounting for interactions with surface water and anthropogenic changes, such as extraction strategies and land use, as well as climate change. The model has been subject to continuous update building on hydrogeological knowledge established by the regional water authorities and other national research institutes. With the on-going improvement of the DK-model it is now increasingly applied both by research projects and for decision support e.g. in implementation of the Water Framework Directive or to support other decisions related to protection of water resources (quantitative and chemical status), ecosystems and the built environment. At present, the DK-model constitutes the backbone of a strategic modelling project funded by the Danish Environmental Protection Agency, with the aim of developing a modelling complex that will provide the foundation of the implementation of the Water Framework Directive. Since 2003 the DK-model has been used in more than 25 scientific papers and even more public reports. In the poster and the related review paper we describe the most important applications in both science and policy, where the DK-model has been used either directly or as an important starting point for assessing the impact of climate change on the quantity and quality of groundwater and surface water e.g. in relation to changes in water tables, runoff, nutrient loadings, flooding risks (coastal and hinterland), irrigation demands, sea level rise and seawater intrusion or to assess where geology or climate change create the largest uncertainty for evaluation of the development of water resources quantity and quality.

Predictive performance modeling framework for a novel enclosed particle receiver configuration and application for thermochemical energy storage

DOE PAGES

Martinek, Janna; Wendelin, Timothy; Ma, Zhiwen

2018-04-05

Concentrating solar power (CSP) plants can provide dispatchable power with a thermal energy storage capability for increased renewable-energy grid penetration. Particle-based CSP systems permit higher temperatures, and thus, potentially higher solar-to-electric efficiency than state-of-the-art molten-salt heat-transfer systems. This paper describes a detailed numerical analysis framework for estimating the performance of a novel, geometrically complex, enclosed particle receiver design. The receiver configuration uses arrays of small tubular absorbers to collect and subsequently transfer solar energy to a flowing particulate medium. The enclosed nature of the receiver design renders it amenable to either an inert heat-transfer medium, or a reactive heat-transfer medium that requires a controllable ambient environment. The numerical analysis framework described in this study is demonstrated for the case of thermal reduction of CaCr 0.1Mn 0.9O 3-more » $$\\delta$$ for thermochemical energy storage. The modeling strategy consists of Monte Carlo ray tracing for absorbed solar-energy distributions from a surround heliostat field, computational fluid dynamics modeling of small-scale local tubular arrays, surrogate response surfaces that approximately capture simulated tubular array performance, a quasi-two-dimensional reduced-order description of counter-flow reactive solids and purge gas, and a radiative exchange model applied to embedded-cavity structures at the size scale of the full receiver. In this work we apply the numerical analysis strategy to a single receiver configuration, but the framework can be generically applicable to alternative enclosed designs. In conclusion, we assess sensitivity of receiver performance to surface optical properties, heat-transfer coefficients, solids outlet temperature, and purge-gas feed rates, and discuss the significance of model assumptions and results for future receiver development.« less

Predictive performance modeling framework for a novel enclosed particle receiver configuration and application for thermochemical energy storage

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

Martinek, Janna; Wendelin, Timothy; Ma, Zhiwen

Concentrating solar power (CSP) plants can provide dispatchable power with a thermal energy storage capability for increased renewable-energy grid penetration. Particle-based CSP systems permit higher temperatures, and thus, potentially higher solar-to-electric efficiency than state-of-the-art molten-salt heat-transfer systems. This paper describes a detailed numerical analysis framework for estimating the performance of a novel, geometrically complex, enclosed particle receiver design. The receiver configuration uses arrays of small tubular absorbers to collect and subsequently transfer solar energy to a flowing particulate medium. The enclosed nature of the receiver design renders it amenable to either an inert heat-transfer medium, or a reactive heat-transfer medium that requires a controllable ambient environment. The numerical analysis framework described in this study is demonstrated for the case of thermal reduction of CaCr 0.1Mn 0.9O 3-more » $$\\delta$$ for thermochemical energy storage. The modeling strategy consists of Monte Carlo ray tracing for absorbed solar-energy distributions from a surround heliostat field, computational fluid dynamics modeling of small-scale local tubular arrays, surrogate response surfaces that approximately capture simulated tubular array performance, a quasi-two-dimensional reduced-order description of counter-flow reactive solids and purge gas, and a radiative exchange model applied to embedded-cavity structures at the size scale of the full receiver. In this work we apply the numerical analysis strategy to a single receiver configuration, but the framework can be generically applicable to alternative enclosed designs. In conclusion, we assess sensitivity of receiver performance to surface optical properties, heat-transfer coefficients, solids outlet temperature, and purge-gas feed rates, and discuss the significance of model assumptions and results for future receiver development.« less

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.

Impact of surface coupling grids on tropical cyclone extremes in high-resolution atmospheric simulations

DOE PAGES

Zarzycki, Colin M.; Reed, Kevin A.; Bacmeister, Julio T.; ...

2016-02-25

This article discusses the sensitivity of tropical cyclone climatology to surface coupling strategy in high-resolution configurations of the Community Earth System Model. Using two supported model setups, we demonstrate that the choice of grid on which the lowest model level wind stress and surface fluxes are computed may lead to differences in cyclone strength in multi-decadal climate simulations, particularly for the most intense cyclones. Using a deterministic framework, we show that when these surface quantities are calculated on an ocean grid that is coarser than the atmosphere, the computed frictional stress is misaligned with wind vectors in individual atmospheric gridmore » cells. This reduces the effective surface drag, and results in more intense cyclones when compared to a model configuration where the ocean and atmosphere are of equivalent resolution. Our results demonstrate that the choice of computation grid for atmosphere–ocean interactions is non-negligible when considering climate extremes at high horizontal resolution, especially when model components are on highly disparate grids.« less

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.;

Isca, v1.0: a framework for the global modelling of the atmospheres of Earth and other planets at varying levels of complexity

NASA Astrophysics Data System (ADS)

Vallis, Geoffrey K.; Colyer, Greg; Geen, Ruth; Gerber, Edwin; Jucker, Martin; Maher, Penelope; Paterson, Alexander; Pietschnig, Marianne; Penn, James; Thomson, Stephen I.

2018-03-01

Isca is a framework for the idealized modelling of the global circulation of planetary atmospheres at varying levels of complexity and realism. The framework is an outgrowth of models from the Geophysical Fluid Dynamics Laboratory in Princeton, USA, designed for Earth's atmosphere, but it may readily be extended into other planetary regimes. Various forcing and radiation options are available, from dry, time invariant, Newtonian thermal relaxation to moist dynamics with radiative transfer. Options are available in the dry thermal relaxation scheme to account for the effects of obliquity and eccentricity (and so seasonality), different atmospheric optical depths and a surface mixed layer. An idealized grey radiation scheme, a two-band scheme, and a multiband scheme are also available, all with simple moist effects and astronomically based solar forcing. At the complex end of the spectrum the framework provides a direct connection to comprehensive atmospheric general circulation models. For Earth modelling, options include an aquaplanet and configurable continental outlines and topography. Continents may be defined by changing albedo, heat capacity, and evaporative parameters and/or by using a simple bucket hydrology model. Oceanic Q fluxes may be added to reproduce specified sea surface temperatures, with arbitrary continental distributions. Planetary atmospheres may be configured by changing planetary size and mass, solar forcing, atmospheric mass, radiation, and other parameters. Examples are given of various Earth configurations as well as a giant planet simulation, a slowly rotating terrestrial planet simulation, and tidally locked and other orbitally resonant exoplanet simulations. The underlying model is written in Fortran and may largely be configured with Python scripts. Python scripts are also used to run the model on different architectures, to archive the output, and for diagnostics, graphics, and post-processing. All of these features are publicly available in a Git-based repository.

Quantifying structural uncertainty on fault networks using a marked point process within a Bayesian framework

NASA Astrophysics Data System (ADS)

Aydin, Orhun; Caers, Jef Karel

2017-08-01

Faults are one of the building-blocks for subsurface modeling studies. Incomplete observations of subsurface fault networks lead to uncertainty pertaining to location, geometry and existence of faults. In practice, gaps in incomplete fault network observations are filled based on tectonic knowledge and interpreter's intuition pertaining to fault relationships. Modeling fault network uncertainty with realistic models that represent tectonic knowledge is still a challenge. Although methods that address specific sources of fault network uncertainty and complexities of fault modeling exists, a unifying framework is still lacking. In this paper, we propose a rigorous approach to quantify fault network uncertainty. Fault pattern and intensity information are expressed by means of a marked point process, marked Strauss point process. Fault network information is constrained to fault surface observations (complete or partial) within a Bayesian framework. A structural prior model is defined to quantitatively express fault patterns, geometries and relationships within the Bayesian framework. Structural relationships between faults, in particular fault abutting relations, are represented with a level-set based approach. A Markov Chain Monte Carlo sampler is used to sample posterior fault network realizations that reflect tectonic knowledge and honor fault observations. We apply the methodology to a field study from Nankai Trough & Kumano Basin. The target for uncertainty quantification is a deep site with attenuated seismic data with only partially visible faults and many faults missing from the survey or interpretation. A structural prior model is built from shallow analog sites that are believed to have undergone similar tectonics compared to the site of study. Fault network uncertainty for the field is quantified with fault network realizations that are conditioned to structural rules, tectonic information and partially observed fault surfaces. We show the proposed methodology generates realistic fault network models conditioned to data and a conceptual model of the underlying tectonics.

A model to assess the Mars Telecommunications Network relay robustness

NASA Technical Reports Server (NTRS)

Girerd, Andre R.; Meshkat, Leila; Edwards, Charles D., Jr.; Lee, Charles H.

2005-01-01

The relatively long mission durations and compatible radio protocols of current and projected Mars orbiters have enabled the gradual development of a heterogeneous constellation providing proximity communication services for surface assets. The current and forecasted capability of this evolving network has reached the point that designers of future surface missions consider complete dependence on it. Such designers, along with those architecting network requirements, have a need to understand the robustness of projected communication service. A model has been created to identify the robustness of the Mars Network as a function of surface location and time. Due to the decade-plus time horizon considered, the network will evolve, with emerging productive nodes and nodes that cease or fail to contribute. The model is a flexible framework to holistically process node information into measures of capability robustness that can be visualized for maximum understanding. Outputs from JPL's Telecom Orbit Analysis Simulation Tool (TOAST) provide global telecom performance parameters for current and projected orbiters. Probabilistic estimates of orbiter fuel life are derived from orbit keeping burn rates, forecasted maneuver tasking, and anomaly resolution budgets. Orbiter reliability is estimated probabilistically. A flexible scheduling framework accommodates the projected mission queue as well as potential alterations.

Evolution at the tips: Asclepias phylogenomics and new perspectives on leaf surfaces.

PubMed

Fishbein, Mark; Straub, Shannon C K; Boutte, Julien; Hansen, Kimberly; Cronn, Richard C; Liston, Aaron

2018-03-01

Leaf surface traits, such as trichome density and wax production, mediate important ecological processes such as anti-herbivory defense and water-use efficiency. We present a phylogenetic analysis of Asclepias plastomes as a framework for analyzing the evolution of trichome density and presence of epicuticular waxes. We produced a maximum-likelihood phylogeny using plastomes of 103 species of Asclepias. We reconstructed ancestral states and used model comparisons in a likelihood framework to analyze character evolution across Asclepias. We resolved the backbone of Asclepias, placing the Sonoran Desert clade and Incarnatae clade as successive sisters to the remaining species. We present novel findings about leaf surface evolution of Asclepias-the ancestor is reconstructed as waxless and sparsely hairy, a macroevolutionary optimal trichome density is supported, and the rate of evolution of trichome density has accelerated. Increased sampling and selection of best-fitting models of evolution provide more resolved and robust estimates of phylogeny and character evolution than obtained in previous studies. Evolutionary inferences are more sensitive to character coding than model selection. © 2018 The Authors. American Journal of Botany is published by Wiley Periodicals, Inc. on behalf of the Botanical Society of America.

Development of a comprehensive air quality modeling framework for a coastal urban airshed in south Texas

NASA Astrophysics Data System (ADS)

Farooqui, Mohmmed Zuber

Tropospheric ozone is one of the major air pollution problems affecting urban areas of United States as well as other countries in the world. Analysis of surface observed ozone levels in south and central Texas revealed several days exceeding 8-hour average ozone National Ambient of Air Quality Standards (NAAQS) over the past decade. Two major high ozone episodes were identified during September of 1999 and 2002. A photochemical modeling framework for the high ozone episodes in 1999 and 2002 were developed for the Corpus Christi urban airshed. The photochemical model was evaluated as per U.S. Environmental Protection Agency (EPA) recommended statistical methods and the models performed within the limits set by EPA. An emission impact assessment of various sources within the urban airshed was conducted using the modeling framework. It was noted that by nudging MM5 with surface observed meteorological parameters and sea-surface temperature, the coastal meteorological predictions improved. Consequently, refined meteorology helped the photochemical model to better predict peak ozone levels in urban airsheds along the coastal margins of Texas including in Corpus Christi. The emissions assessment analysis revealed that Austin and San Antonio areas were significantly affected by on-road mobile emissions from light-duty gasoline and heavy-duty diesel vehicles. The urban areas of San Antonio, Austin, and Victoria areas were estimated to be NOx sensitive. Victoria was heavily influenced by point sources in the region while Corpus Christi was influenced by both point and non-road mobile sources and was identified to be sensitive to VOC emissions. A rise in atmospheric temperature due to climate change potentially increase ozone exceedances and the peak ozone levels within the study region and this will be a major concern for air quality planners. This study noted that any future increase in ambient temperature would result in a significant increase in the urban and regional ozone levels within the modeling domain and it would also enhance the transported levels of ozone across the region. Overall, the photochemical modeling framework helped in evaluating the impact of various parameters affecting ozone air quality; and, it has the potential to be a tool for policy-makers to develop effective emissions control strategies under various regulatory and climate conditions.

DasPy – Open Source Multivariate Land Data Assimilation Framework with High Performance Computing

NASA Astrophysics Data System (ADS)

Han, Xujun; Li, Xin; Montzka, Carsten; Kollet, Stefan; Vereecken, Harry; Hendricks Franssen, Harrie-Jan

2015-04-01

Data assimilation has become a popular method to integrate observations from multiple sources with land surface models to improve predictions of the water and energy cycles of the soil-vegetation-atmosphere continuum. In recent years, several land data assimilation systems have been developed in different research agencies. Because of the software availability or adaptability, these systems are not easy to apply for the purpose of multivariate land data assimilation research. Multivariate data assimilation refers to the simultaneous assimilation of observation data for multiple model state variables into a simulation model. Our main motivation was to develop an open source multivariate land data assimilation framework (DasPy) which is implemented using the Python script language mixed with C++ and Fortran language. This system has been evaluated in several soil moisture, L-band brightness temperature and land surface temperature assimilation studies. The implementation allows also parameter estimation (soil properties and/or leaf area index) on the basis of the joint state and parameter estimation approach. LETKF (Local Ensemble Transform Kalman Filter) is implemented as the main data assimilation algorithm, and uncertainties in the data assimilation can be represented by perturbed atmospheric forcings, perturbed soil and vegetation properties and model initial conditions. The CLM4.5 (Community Land Model) was integrated as the model operator. The CMEM (Community Microwave Emission Modelling Platform), COSMIC (COsmic-ray Soil Moisture Interaction Code) and the two source formulation were integrated as observation operators for assimilation of L-band passive microwave, cosmic-ray soil moisture probe and land surface temperature measurements, respectively. DasPy is parallelized using the hybrid MPI (Message Passing Interface) and OpenMP (Open Multi-Processing) techniques. All the input and output data flow is organized efficiently using the commonly used NetCDF file format. Online 1D and 2D visualization of data assimilation results is also implemented to facilitate the post simulation analysis. In summary, DasPy is a ready to use open source parallel multivariate land data assimilation framework.

Design and Application of an Ontology for Component-Based Modeling of Water Systems

NASA Astrophysics Data System (ADS)

Elag, M.; Goodall, J. L.

2012-12-01

Many Earth system modeling frameworks have adopted an approach of componentizing models so that a large model can be assembled by linking a set of smaller model components. These model components can then be more easily reused, extended, and maintained by a large group of model developers and end users. While there has been a notable increase in component-based model frameworks in the Earth sciences in recent years, there has been less work on creating framework-agnostic metadata and ontologies for model components. Well defined model component metadata is needed, however, to facilitate sharing, reuse, and interoperability both within and across Earth system modeling frameworks. To address this need, we have designed an ontology for the water resources community named the Water Resources Component (WRC) ontology in order to advance the application of component-based modeling frameworks across water related disciplines. Here we present the design of the WRC ontology and demonstrate its application for integration of model components used in watershed management. First we show how the watershed modeling system Soil and Water Assessment Tool (SWAT) can be decomposed into a set of hydrological and ecological components that adopt the Open Modeling Interface (OpenMI) standard. Then we show how the components can be used to estimate nitrogen losses from land to surface water for the Baltimore Ecosystem study area. Results of this work are (i) a demonstration of how the WRC ontology advances the conceptual integration between components of water related disciplines by handling the semantic and syntactic heterogeneity present when describing components from different disciplines and (ii) an investigation of a methodology by which large models can be decomposed into a set of model components that can be well described by populating metadata according to the WRC ontology.

An Integrated Modeling Framework Forecasting Ecosystem Exposure-- A Systems Approach to the Cumulative Impacts of Multiple Stressors

NASA Astrophysics Data System (ADS)

Johnston, J. M.

2013-12-01

Freshwater habitats provide fishable, swimmable and drinkable resources and are a nexus of geophysical and biological processes. These processes in turn influence the persistence and sustainability of populations, communities and ecosystems. Climate change and landuse change encompass numerous stressors of potential exposure, including the introduction of toxic contaminants, invasive species, and disease in addition to physical drivers such as temperature and hydrologic regime. A systems approach that includes the scientific and technologic basis of assessing the health of ecosystems is needed to effectively protect human health and the environment. The Integrated Environmental Modeling Framework 'iemWatersheds' has been developed as a consistent and coherent means of forecasting the cumulative impact of co-occurring stressors. The Framework consists of three facilitating technologies: Data for Environmental Modeling (D4EM) that automates the collection and standardization of input data; the Framework for Risk Assessment of Multimedia Environmental Systems (FRAMES) that manages the flow of information between linked models; and the Supercomputer for Model Uncertainty and Sensitivity Evaluation (SuperMUSE) that provides post-processing and analysis of model outputs, including uncertainty and sensitivity analysis. Five models are linked within the Framework to provide multimedia simulation capabilities for hydrology and water quality processes: the Soil Water Assessment Tool (SWAT) predicts surface water and sediment runoff and associated contaminants; the Watershed Mercury Model (WMM) predicts mercury runoff and loading to streams; the Water quality Analysis and Simulation Program (WASP) predicts water quality within the stream channel; the Habitat Suitability Index (HSI) model scores physicochemical habitat quality for individual fish species; and the Bioaccumulation and Aquatic System Simulator (BASS) predicts fish growth, population dynamics and bioaccumulation of toxic substances. The capability of the Framework to address cumulative impacts will be demonstrated for freshwater ecosystem services and mountaintop mining.

Multi-model assessment of air pollution-related premature mortality in Europe and U.S.: Domestic vs. foreign contributions

EPA Science Inventory

The impact of air pollution on premature mortality in Europe and the United States (U.S.) for the year 2010 is modelled by a multi-model ensemble of regional models in the framework of the AQMEII3 project. The gridded surface concentrations of O3, CO, SO2 and PM2.5 from each mode...

Simulation-Based Joint Estimation of Body Deformation and Elasticity Parameters for Medical Image Analysis

PubMed Central

Foskey, Mark; Niethammer, Marc; Krajcevski, Pavel; Lin, Ming C.

2014-01-01

Estimation of tissue stiffness is an important means of noninvasive cancer detection. Existing elasticity reconstruction methods usually depend on a dense displacement field (inferred from ultrasound or MR images) and known external forces. Many imaging modalities, however, cannot provide details within an organ and therefore cannot provide such a displacement field. Furthermore, force exertion and measurement can be difficult for some internal organs, making boundary forces another missing parameter. We propose a general method for estimating elasticity and boundary forces automatically using an iterative optimization framework, given the desired (target) output surface. During the optimization, the input model is deformed by the simulator, and an objective function based on the distance between the deformed surface and the target surface is minimized numerically. The optimization framework does not depend on a particular simulation method and is therefore suitable for different physical models. We show a positive correlation between clinical prostate cancer stage (a clinical measure of severity) and the recovered elasticity of the organ. Since the surface correspondence is established, our method also provides a non-rigid image registration, where the quality of the deformation fields is guaranteed, as they are computed using a physics-based simulation. PMID:22893381

Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework

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

Machesky, Michael L.; Predota, M.; Wesolowski, David J

The detailed solvation structure at the (110) surface of rutile ({alpha}-TiO{sub 2}) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model framework to predict surface oxygen protonation constants. Quantum mechanical molecular dynamics (QMD) simulations in the presence of freely dissociable water molecules produced H-bond distributions around deprotonated surface oxygens very similar to those obtained by CMD with nondissociable SPC/E water, thereby confirming thatmore » the less computationally intensive CMD simulations provide accurate H-bond information. Utilizing this H-bond information within the refined MUSIC model, along with manually adjusted Ti-O surface bond lengths that are nonetheless within 0.05 {angstrom} of those obtained from static density functional theory (DFT) calculations and measured in X-ray reflectivity experiments (as well as bulk crystal values), give surface protonation constants that result in a calculated zero net proton charge pH value (pHznpc) at 25 C that agrees quantitatively with the experimentally determined value (5.4 {+-} 0.2) for a specific rutile powder dominated by the (110) crystal face. Moreover, the predicted pH{sub znpc} values agree to within 0.1 pH unit with those measured at all temperatures between 10 and 250 C. A slightly smaller manual adjustment of the DFT-derived Ti-O surface bond lengths was sufficient to bring the predicted pH{sub znpc} value of the rutile (110) surface at 25 C into quantitative agreement with the experimental value (4.8 {+-} 0.3) obtained from a polished and annealed rutile (110) single crystal surface in contact with dilute sodium nitrate solutions using second harmonic generation (SHG) intensity measurements as a function of ionic strength. Additionally, the H-bond interactions between protolyzable surface oxygen groups and water were found to be stronger than those between bulk water molecules at all temperatures investigated in our CMD simulations (25, 150 and 250 C). Comparison with the protonation scheme previously determined for the (110) surface of isostructural cassiterite ({alpha}-SnO{sub 2}) reveals that the greater extent of H-bonding on the latter surface, and in particular between water and the terminal hydroxyl group (Sn-OH) results in the predicted protonation constant for that group being lower than for the bridged oxygen (Sn-O-Sn), while the reverse is true for the rutile (110) surface. These results demonstrate the importance of H-bond structure in dictating surface protonation behavior, and that explicit use of this solvation structure within the refined MUSIC model framework results in predicted surface protonation constants that are also consistent with a variety of other experimental and computational data.« less

Surface protonation at the rutile (110) interface: explicit incorporation of solvation structure within the refined MUSIC model framework.

PubMed

Machesky, Michael L; Predota, Milan; Wesolowski, David J; Vlcek, Lukas; Cummings, Peter T; Rosenqvist, Jörgen; Ridley, Moira K; Kubicki, James D; Bandura, Andrei V; Kumar, Nitin; Sofo, Jorge O

2008-11-04

The detailed solvation structure at the (110) surface of rutile (alpha-TiO2) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model framework to predict surface oxygen protonation constants. Quantum mechanical molecular dynamics (QMD) simulations in the presence of freely dissociable water molecules produced H-bond distributions around deprotonated surface oxygens very similar to those obtained by CMD with nondissociable SPC/E water, thereby confirming that the less computationally intensive CMD simulations provide accurate H-bond information. Utilizing this H-bond information within the refined MUSIC model, along with manually adjusted Ti-O surface bond lengths that are nonetheless within 0.05 A of those obtained from static density functional theory (DFT) calculations and measured in X-ray reflectivity experiments (as well as bulk crystal values), give surface protonation constants that result in a calculated zero net proton charge pH value (pHznpc) at 25 degrees C that agrees quantitatively with the experimentally determined value (5.4+/-0.2) for a specific rutile powder dominated by the (110) crystal face. Moreover, the predicted pHznpc values agree to within 0.1 pH unit with those measured at all temperatures between 10 and 250 degrees C. A slightly smaller manual adjustment of the DFT-derived Ti-O surface bond lengths was sufficient to bring the predicted pHznpcvalue of the rutile (110) surface at 25 degrees C into quantitative agreement with the experimental value (4.8+/-0.3) obtained from a polished and annealed rutile (110) single crystal surface in contact with dilute sodium nitrate solutions using second harmonic generation (SHG) intensity measurements as a function of ionic strength. Additionally, the H-bond interactions between protolyzable surface oxygen groups and water were found to be stronger than those between bulk water molecules at all temperatures investigated in our CMD simulations (25, 150 and 250 degrees C). Comparison with the protonation scheme previously determined for the (110) surface of isostructural cassiterite (alpha-SnO2) reveals that the greater extent of H-bonding on the latter surface, and in particular between water and the terminal hydroxyl group (Sn-OH) results in the predicted protonation constant for that group being lower than for the bridged oxygen (Sn-O-Sn), while the reverse is true for the rutile (110) surface. These results demonstrate the importance of H-bond structure in dictating surface protonation behavior, and that explicit use of this solvation structure within the refined MUSIC model framework results in predicted surface protonation constants that are also consistent with a variety of other experimental and computational data.

Improving National Water Modeling: An Intercomparison of two High-Resolution, Continental Scale Models, CONUS-ParFlow and the National Water Model

NASA Astrophysics Data System (ADS)

Tijerina, D.; Gochis, D.; Condon, L. E.; Maxwell, R. M.

2017-12-01

Development of integrated hydrology modeling systems that couple atmospheric, land surface, and subsurface flow is growing trend in hydrologic modeling. Using an integrated modeling framework, subsurface hydrologic processes, such as lateral flow and soil moisture redistribution, are represented in a single cohesive framework with surface processes like overland flow and evapotranspiration. There is a need for these more intricate models in comprehensive hydrologic forecasting and water management over large spatial areas, specifically the Continental US (CONUS). Currently, two high-resolution, coupled hydrologic modeling applications have been developed for this domain: CONUS-ParFlow built using the integrated hydrologic model ParFlow and the National Water Model that uses the NCAR Weather Research and Forecasting hydrological extension package (WRF-Hydro). Both ParFlow and WRF-Hydro include land surface models, overland flow, and take advantage of parallelization and high-performance computing (HPC) capabilities; however, they have different approaches to overland subsurface flow and groundwater-surface water interactions. Accurately representing large domains remains a challenge considering the difficult task of representing complex hydrologic processes, computational expense, and extensive data needs; both models have accomplished this, but have differences in approach and continue to be difficult to validate. A further exploration of effective methodology to accurately represent large-scale hydrology with integrated models is needed to advance this growing field. Here we compare the outputs of CONUS-ParFlow and the National Water Model to each other and with observations to study the performance of hyper-resolution models over large domains. Models were compared over a range of scales for major watersheds within the CONUS with a specific focus on the Mississippi, Ohio, and Colorado River basins. We use a novel set of approaches and analysis for this comparison to better understand differences in process and bias. This intercomparison is a step toward better understanding how much water we have and interactions between surface and subsurface. Our goal is to advance our understanding and simulation of the hydrologic system and ultimately improve hydrologic forecasts.

Protonation of Different Goethite Surfaces - Unified Models for NaNO3 and NaCl Media.

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

Lutzenkirchen, Johannes; Boily, Jean F.; Gunneriusson, Lars

2008-01-01

Acid-base titration data for two goethites samples in sodium nitrate and sodium chloride media are discussed. The data are modelled based on various surface complexation models in the framework of the MUlti SIte Complexation (MUSIC) model. Various assumptions with respect to the goethite morphology are considered in determining the site density of the surface functional groups. The results from the various model applications are not statistically significant in terms of goodness of fit. More importantly, various published assumptions with respect to the goethite morphology (i.e. the contributions of different crystal planes and their repercussions on the “overall” site densities ofmore » the various surface functional groups) do not significantly affect the final model parameters. The simultaneous fit of the chloride and nitrate data results in electrolyte binding constants, which are applicable over a wide range of electrolyte concentrations including mixtures of chloride and nitrate. Model parameters for the high surface area goethite sample are in excellent agreement with parameters that were independently obtained by another group on different goethite titration data sets.« less

A physical-based gas-surface interaction model for rarefied gas flow simulation

NASA Astrophysics Data System (ADS)

Liang, Tengfei; Li, Qi; Ye, Wenjing

2018-01-01

Empirical gas-surface interaction models, such as the Maxwell model and the Cercignani-Lampis model, are widely used as the boundary condition in rarefied gas flow simulations. The accuracy of these models in the prediction of macroscopic behavior of rarefied gas flows is less satisfactory in some cases especially the highly non-equilibrium ones. Molecular dynamics simulation can accurately resolve the gas-surface interaction process at atomic scale, and hence can predict accurate macroscopic behavior. They are however too computationally expensive to be applied in real problems. In this work, a statistical physical-based gas-surface interaction model, which complies with the basic relations of boundary condition, is developed based on the framework of the washboard model. In virtue of its physical basis, this new model is capable of capturing some important relations/trends for which the classic empirical models fail to model correctly. As such, the new model is much more accurate than the classic models, and in the meantime is more efficient than MD simulations. Therefore, it can serve as a more accurate and efficient boundary condition for rarefied gas flow simulations.

Soil and Atmospheric Controls on the Land Surface Energy Balance: A Generalized Framework for Distinguishing Moisture-Limited and Energy-Limited Evaporation Regimes

NASA Astrophysics Data System (ADS)

Haghighi, Erfan; Short Gianotti, Daniel J.; Akbar, Ruzbeh; Salvucci, Guido D.; Entekhabi, Dara

2018-03-01

The relationship between evaporative fraction (EF) and soil moisture (SM) has traditionally been used in atmospheric and land-surface modeling communities to determine the coupling strength between land surfaces and the atmosphere in the context of the dominant evaporation regime (energy or moisture limited). However, observation-based analyses suggest that EF-SM relationship in a given region can shift subject to other environmental factors, potentially influencing the determination of the dominant evaporation regime. This implies more complex dependencies embedded in the conventional EF-SM relationship and that in fact it is a multidimensional function. In this study, we develop a generalized EF framework that explicitly accounts for dependencies on other environmental conditions. We show that large scatter in observed EF-SM relationships is primarily due to the projection of variations in other dimensions and propose a normalization of the EF-SM relationship accounting for the dimensions and dependencies not included in the conventional relationship. In this first study, we focus on bare soil conditions in order to establish the basic theoretical framework. The new generalized EF framework provides new insights into the origin of transition between energy-limited and moisture-limited evaporation regimes (marked by a critical SM), linked to soil type and meteorological input data (primarily wind speed and air temperature, but not solar radiation) dominating the evolution of land surface temperature and thus the relative efficiency of surface energy balance components during surface drying. Our results offer new opportunities to advance predictive capabilities quantifying land-atmosphere coupling for a wide range of present and projected meteorological input data.

Modelling runway incursion severity.

PubMed

Wilke, Sabine; Majumdar, Arnab; Ochieng, Washington Y

2015-06-01

Analysis of the causes underlying runway incursions is fundamental for the development of effective mitigation measures. However, there are significant weaknesses in the current methods to model these factors. This paper proposes a structured framework for modelling causal factors and their relationship to severity, which includes a description of the airport surface system architecture, establishment of terminological definitions, the determination and collection of appropriate data, the analysis of occurrences for severity and causes, and the execution of a statistical analysis framework. It is implemented in the context of U.S. airports, enabling the identification of a number of priority interventions, including the need for better investigation and causal factor capture, recommendations for airfield design, operating scenarios and technologies, and better training for human operators in the system. The framework is recommended for the analysis of runway incursions to support safety improvements and the methodology is transferable to other areas of aviation safety risk analysis. Copyright © 2015 Elsevier Ltd. All rights reserved.

A framework for modeling non-steady-state concentrations of semivolatile organic compounds indoors ― I: Emissions from diffusional sources and sorption by interior surfaces

EPA Science Inventory

Over the past two decades, more than 20 mass transfer models have been developed for the sources, sinks, and barriers for volatile and semivolatile organic compounds (VOCs and SVOCs) in the indoor environment. While these models have greatly improved our understanding of VOC and ...

Thermodynamic forces in coarse-grained simulations

NASA Astrophysics Data System (ADS)

Noid, William

Atomically detailed molecular dynamics simulations have profoundly advanced our understanding of the structure and interactions in soft condensed phases. Nevertheless, despite dramatic advances in the methodology and resources for simulating atomically detailed models, low-resolution coarse-grained (CG) models play a central and rapidly growing role in science. CG models not only empower researchers to investigate phenomena beyond the scope of atomically detailed simulations, but also to precisely tailor models for specific phenomena. However, in contrast to atomically detailed simulations, which evolve on a potential energy surface, CG simulations should evolve on a free energy surface. Therefore, the forces in CG models should reflect the thermodynamic information that has been eliminated from the CG configuration space. As a consequence of these thermodynamic forces, CG models often demonstrate limited transferability and, moreover, rarely provide an accurate description of both structural and thermodynamic properties. In this talk, I will present a framework that clarifies the origin and impact of these thermodynamic forces. Additionally, I will present computational methods for quantifying these forces and incorporating their effects into CG MD simulations. As time allows, I will demonstrate applications of this framework for liquids, polymers, and interfaces. We gratefully acknowledge the support of the National Science Foundation via CHE 1565631.

Dust evolution, a global view: III. Core/mantle grains, organic nano-globules, comets and surface chemistry

PubMed Central

2016-01-01

Within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS), this work explores the surface processes and chemistry relating to core/mantle interstellar and cometary grain structures and their influence on the nature of these fascinating particles. It appears that a realistic consideration of the nature and chemical reactivity of interstellar grain surfaces could self-consistently and within a coherent framework explain: the anomalous oxygen depletion, the nature of the CO dark gas, the formation of ‘polar ice’ mantles, the red wing on the 3 μm water ice band, the basis for the O-rich chemistry observed in hot cores, the origin of organic nano-globules and the 3.2 μm ‘carbonyl’ absorption band observed in comet reflectance spectra. It is proposed that the reaction of gas phase species with carbonaceous a-C(:H) grain surfaces in the interstellar medium, in particular the incorporation of atomic oxygen into grain surfaces in epoxide functional groups, is the key to explaining these observations. Thus, the chemistry of cosmic dust is much more intimately related with that of the interstellar gas than has previously been considered. The current models for interstellar gas and dust chemistry will therefore most likely need to be fundamentally modified to include these new grain surface processes. PMID:28083090

Water Quality Assessment Simulation Program (WASP8): Upgrades to the Advanced Toxicant Module for Simulating Dissolved Chemicals, Nanomaterials, and Solids

EPA Science Inventory

The Water Quality Analysis Simulation Program (WASP) is a dynamic, spatially-resolved, differential mass balance fate and transport modeling framework. WASP is used to develop models to simulate concentrations of environmental contaminants in surface waters and sediments. As a mo...

Spreadsheet Modeling of Electron Distributions in Solids

ERIC Educational Resources Information Center

Glassy, Wingfield V.

2006-01-01

A series of spreadsheet modeling exercises constructed as part of a new upper-level elective course on solid state materials and surface chemistry is described. The spreadsheet exercises are developed to provide students with the opportunity to interact with the conceptual framework where the role of the density of states and the Fermi-Dirac…

Depositional sequence analysis and sedimentologic modeling for improved prediction of Pennsylvanian reservoirs (Annex 1). Annual report, February 1, 1991--January 31, 1992

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

Watney, W.L.

1992-08-01

Interdisciplinary studies of the Upper Pennsylvanian Lansing and Kansas City groups have been undertaken in order to improve the geologic characterization of petroleum reservoirs and to develop a quantitative understanding of the processes responsible for formation of associated depositional sequences. To this end, concepts and methods of sequence stratigraphy are being used to define and interpret the three-dimensional depositional framework of the Kansas City Group. The investigation includes characterization of reservoir rocks in oil fields in western Kansas, description of analog equivalents in near-surface and surface sites in southeastern Kansas, and construction of regional structural and stratigraphic framework to linkmore » the site specific studies. Geologic inverse and simulation models are being developed to integrate quantitative estimates of controls on sedimentation to produce reconstructions of reservoir-bearing strata in an attempt to enhance our ability to predict reservoir characteristics.« less

Depositional sequence analysis and sedimentologic modeling for improved prediction of Pennsylvanian reservoirs (Annex 1)

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

Watney, W.L.

1992-01-01

Interdisciplinary studies of the Upper Pennsylvanian Lansing and Kansas City groups have been undertaken in order to improve the geologic characterization of petroleum reservoirs and to develop a quantitative understanding of the processes responsible for formation of associated depositional sequences. To this end, concepts and methods of sequence stratigraphy are being used to define and interpret the three-dimensional depositional framework of the Kansas City Group. The investigation includes characterization of reservoir rocks in oil fields in western Kansas, description of analog equivalents in near-surface and surface sites in southeastern Kansas, and construction of regional structural and stratigraphic framework to linkmore » the site specific studies. Geologic inverse and simulation models are being developed to integrate quantitative estimates of controls on sedimentation to produce reconstructions of reservoir-bearing strata in an attempt to enhance our ability to predict reservoir characteristics.« less

A new framework for comprehensive, robust, and efficient global sensitivity analysis: 2. Application

NASA Astrophysics Data System (ADS)

Razavi, Saman; Gupta, Hoshin V.

2016-01-01

Based on the theoretical framework for sensitivity analysis called "Variogram Analysis of Response Surfaces" (VARS), developed in the companion paper, we develop and implement a practical "star-based" sampling strategy (called STAR-VARS), for the application of VARS to real-world problems. We also develop a bootstrap approach to provide confidence level estimates for the VARS sensitivity metrics and to evaluate the reliability of inferred factor rankings. The effectiveness, efficiency, and robustness of STAR-VARS are demonstrated via two real-data hydrological case studies (a 5-parameter conceptual rainfall-runoff model and a 45-parameter land surface scheme hydrology model), and a comparison with the "derivative-based" Morris and "variance-based" Sobol approaches are provided. Our results show that STAR-VARS provides reliable and stable assessments of "global" sensitivity across the full range of scales in the factor space, while being 1-2 orders of magnitude more efficient than the Morris or Sobol approaches.

Modeling large-scale human alteration of land surface hydrology and climate

NASA Astrophysics Data System (ADS)

Pokhrel, Yadu N.; Felfelani, Farshid; Shin, Sanghoon; Yamada, Tomohito J.; Satoh, Yusuke

2017-12-01

Rapidly expanding human activities have profoundly affected various biophysical and biogeochemical processes of the Earth system over a broad range of scales, and freshwater systems are now amongst the most extensively altered ecosystems. In this study, we examine the human-induced changes in land surface water and energy balances and the associated climate impacts using a coupled hydrological-climate model framework which also simulates the impacts of human activities on the water cycle. We present three sets of analyses using the results from two model versions—one with and the other without considering human activities; both versions are run in offline and coupled mode resulting in a series of four experiments in total. First, we examine climate and human-induced changes in regional water balance focusing on the widely debated issue of the desiccation of the Aral Sea in central Asia. Then, we discuss the changes in surface temperature as a result of changes in land surface energy balance due to irrigation over global and regional scales. Finally, we examine the global and regional climate impacts of increased atmospheric water vapor content due to irrigation. Results indicate that the direct anthropogenic alteration of river flow in the Aral Sea basin resulted in the loss of 510 km3 of water during the latter half of the twentieth century which explains about half of the total loss of water from the sea. Results of irrigation-induced changes in surface energy balance suggest a significant surface cooling of up to 3.3 K over 1° grids in highly irrigated areas but a negligible change in land surface temperature when averaged over sufficiently large global regions. Results from the coupled model indicate a substantial change in 2 m air temperature and outgoing longwave radiation due to irrigation, highlighting the non-local (regional and global) implications of irrigation. These results provide important insights on the direct human alteration of land surface water and energy balances, highlighting the need to incorporate human activities such as irrigation into the framework of global climate models and Earth system models for better prediction of future changes under increasing human influence and continuing global climate change.

Mathematical modeling of synthesis gas fueled electrochemistry and transport including H2/CO co-oxidation and surface diffusion in solid oxide fuel cell

NASA Astrophysics Data System (ADS)

Bao, Cheng; Jiang, Zeyi; Zhang, Xinxin

2015-10-01

Fuel flexibility is a significant advantage of solid oxide fuel cell (SOFC). A comprehensive macroscopic framework is proposed for synthesis gas (syngas) fueled electrochemistry and transport in SOFC anode with two main novelties, i.e. analytical H2/CO electrochemical co-oxidation, and correction of gas species concentration at triple phase boundary considering competitive absorption and surface diffusion. Staring from analytical approximation of the decoupled charge and mass transfer, we present analytical solutions of two defined variables, i.e. hydrogen current fraction and enhancement factor. Giving explicit answer (rather than case-by-case numerical calculation) on how many percent of the current output contributed by H2 or CO and on how great the water gas shift reaction plays role on, this approach establishes at the first time an adaptive superposition mechanism of H2-fuel and CO-fuel electrochemistry for syngas fuel. Based on the diffusion equivalent circuit model, assuming series-connected resistances of surface diffusion and bulk diffusion, the model predicts well at high fuel utilization by keeping fixed porosity/tortuosity ratio. The model has been validated by experimental polarization behaviors in a wide range of operation on a button cell for H2-H2O-CO-CO2-N2 fuel systems. The framework could be helpful to narrow the gap between macro-scale and meso-scale SOFC modeling.

Prediction of Estrogen Runoff and Transport Driven by Rainfalls from Swine Spray Fields

NASA Astrophysics Data System (ADS)

Lee, B.; Reckhow, K. H.; Kullman, S. W.

2010-12-01

Animal waste-borne steroidal hormones, which are referred to as natural steroidal estrogens, are recognized pollutants to surface water systems. Steroidal estrogens exhibit strong potency, even at very low concentrations, as endocrine disrupting chemicals on aquatic organisms. In North Carolina, the swine concentrated animal feeding operations (CAFOs) have been a major source for the release of estrogens to watersheds. Release is a direct result of the land application of the generated waste as an organic fertilizer. However, data regarding the estrogen loss and transport through the surface runoff and soil erosion to the water bodies after the spray-fields application has been up till now very limited. We have developed a decision support tool that can help predict and ultimately manage the potential mobilization and transport of estrogens from CAFOs, through the processes of surface runoff transport and sediment loss, into adjacent water bodies. Our decision support tool was built using a dynamic Bayesian Network (DBN) framework. The developed DBN model integrates the processes of a sediment loss and a surface runoff by using the modified universal soil loss equation (MUSLE) and the SCS-CN curve runoff models. Estrogen mobility is assessed as a function of rainfall intensity and land use management with consideration to the temporal distribution of both. The DBN is used to model the estrogen concentration in the runoff process, to determine the degree of off-site movement of estrogens, and to verify the potential environmental significance of the estrogen inputs into the stream. We believe that our modeling framework is particularly useful for use in field situations where estrogen runoff data are not available or are scarce. The DBN model also provides a means to handle the uncertainties of mathematical sediment and runoff models as a dynamic probability model.

Framework for non-coherent interface models at finite displacement jumps and finite strains

NASA Astrophysics Data System (ADS)

Ottosen, Niels Saabye; Ristinmaa, Matti; Mosler, Jörn

2016-05-01

This paper deals with a novel constitutive framework suitable for non-coherent interfaces, such as cracks, undergoing large deformations in a geometrically exact setting. For this type of interface, the displacement field shows a jump across the interface. Within the engineering community, so-called cohesive zone models are frequently applied in order to describe non-coherent interfaces. However, for existing models to comply with the restrictions imposed by (a) thermodynamical consistency (e.g., the second law of thermodynamics), (b) balance equations (in particular, balance of angular momentum) and (c) material frame indifference, these models are essentially fiber models, i.e. models where the traction vector is collinear with the displacement jump. This constraints the ability to model shear and, in addition, anisotropic effects are excluded. A novel, extended constitutive framework which is consistent with the above mentioned fundamental physical principles is elaborated in this paper. In addition to the classical tractions associated with a cohesive zone model, the main idea is to consider additional tractions related to membrane-like forces and out-of-plane shear forces acting within the interface. For zero displacement jump, i.e. coherent interfaces, this framework degenerates to existing formulations presented in the literature. For hyperelasticity, the Helmholtz energy of the proposed novel framework depends on the displacement jump as well as on the tangent vectors of the interface with respect to the current configuration - or equivalently - the Helmholtz energy depends on the displacement jump and the surface deformation gradient. It turns out that by defining the Helmholtz energy in terms of the invariants of these variables, all above-mentioned fundamental physical principles are automatically fulfilled. Extensions of the novel framework necessary for material degradation (damage) and plasticity are also covered.

Surface and subsurface geologic risk factors to ground water affecting brownfield redevelopment potential.

PubMed

Kaufman, Martin M; Murray, Kent S; Rogers, Daniel T

2003-01-01

A model is created for assessing the redevelopment potential of brownfields. The model is derived from a space and time conceptual framework that identifies and measures the surface and subsurface risk factors present at brownfield sites. The model then combines these factors with a contamination extent multiplier at each site to create an index of redevelopment potential. Results from the application of the model within an urbanized watershed demonstrate clear differences between the redevelopment potential present within five different near-surface geologic units, with those units containing clay being less vulnerable to subsurface contamination. With and without the extent multiplier, the total risk present at the brownfield sites within all the geologic units is also strongly correlated to the actual costs of remediation. Thus, computing the total surface and subsurface risk within a watershed can help guide the remediation efforts at broad geographic scales, and prioritize the locations for redevelopment.

Evapotranspiration and runoff from large land areas: Land surface hydrology for atmospheric general circulation models

NASA Technical Reports Server (NTRS)

Famiglietti, J. S.; Wood, Eric F.

1993-01-01

A land surface hydrology parameterization for use in atmospheric GCM's is presented. The parameterization incorporates subgrid scale variability in topography, soils, soil moisture and precipitation. The framework of the model is the statistical distribution of a topography-soils index, which controls the local water balance fluxes, and is therefore taken to represent the large land area. Spatially variable water balance fluxes are integrated with respect to the topography-soils index to yield our large topography-soils distribution, and interval responses are weighted by the probability of occurrence of the interval. Grid square averaged land surface fluxes result. The model functions independently as a macroscale water balance model. Runoff ratio and evapotranspiration efficiency parameterizations are derived and are shown to depend on the spatial variability of the above mentioned properties and processes, as well as the dynamics of land surface-atmosphere interactions.

Towards Year-round Estimation of Terrestrial Water Storage over Snow-Covered Terrain via Multi-sensor Assimilation of GRACE/GRACE-FO and AMSR-E/AMSR-2.

NASA Astrophysics Data System (ADS)

Wang, J.; Xue, Y.; Forman, B. A.; Girotto, M.; Reichle, R. H.

2017-12-01

The Gravity and Recovery Climate Experiment (GRACE) has revolutionized large-scale remote sensing of the Earth's terrestrial hydrologic cycle and has provided an unprecedented observational constraint for global land surface models. However, the coarse-scale (in space and time), vertically-integrated measure of terrestrial water storage (TWS) limits GRACE's applicability to smaller scale hydrologic applications. In order to enhance model-based estimates of TWS while effectively adding resolution (in space and time) to the coarse-scale TWS retrievals, a multi-variate, multi-sensor data assimilation framework is presented here that simultaneously assimilates gravimetric retrievals of TWS in conjunction with passive microwave (PMW) brightness temperature (Tb) observations over snow-covered terrain. The framework uses the NASA Catchment Land Surface Model (Catchment) and an ensemble Kalman filter (EnKF). A synthetic assimilation experiment is presented for the Volga river basin in Russia. The skill of the output from the assimilation of synthetic observations is compared with that of model estimates generated without the benefit of assimilating the synthetic observations. It is shown that the EnKF framework improves modeled estimates of TWS, snow depth, and snow mass (a.k.a. snow water equivalent). The data assimilation routine produces a conditioned (updated) estimate that is more accurate and contains less uncertainty during both the snow accumulation phase of the snow season as well as during the snow ablation season.

Factors Affecting P Loads to Surface Waters: Comparing the Roles of Precipitation and Land Management Practices

NASA Astrophysics Data System (ADS)

Motew, M.; Booth, E.; Carpenter, S. R.; Kucharik, C. J.

2014-12-01

Surface water quality is a major concern in the Yahara watershed (YW) of southern Wisconsin, home to a thriving dairy industry, the city of Madison, and five highly valued lakes that are eutrophic. Despite management interventions to mitigate runoff, there has been no significant trend in P loading to the lakes since 1975. Increases in manure production and heavy rainfall events over this time period may have offset any effects of management. We developed a comprehensive, integrated modeling framework that can simulate the effects of multiple drivers on ecosystem services, including surface water quality. The framework includes process-based representation of terrestrial ecosystems (Agro-IBIS) and groundwater flow (MODFLOW), hydrologic routing of water and nutrients across the landscape (THMB), and assessment of lake water quality (YWQM). Biogeochemical cycling and hydrologic transport of P have been added to the framework to enable detailed simulation of P dynamics within the watershed, including interactions with climate and management. The P module features in-soil cycling of organic, inorganic, and labile forms of P; manure application, decomposition, and subsequent loss of dissolved P in runoff; loss of particulate-bound P with erosion; and transport of dissolved and particulate P within waterways. Model results will compare the effects of increased heavy rainfall events, increased manure production, and implementation of best management practices on P loads to the Yahara lakes.

HUMAN EYE OPTICS: Determination of positions of optical elements of the human eye

NASA Astrophysics Data System (ADS)

Galetskii, S. O.; Cherezova, T. Yu

2009-02-01

An original method for noninvasive determining the positions of elements of intraocular optics is proposed. The analytic dependence of the measurement error on the optical-scheme parameters and the restriction in distance from the element being measured are determined within the framework of the method proposed. It is shown that the method can be efficiently used for determining the position of elements in the classical Gullstrand eye model and personalised eye models. The positions of six optical surfaces of the Gullstrand eye model and four optical surfaces of the personalised eye model can be determined with an error of less than 0.25 mm.

Rapid recipe formulation for plasma etching of new materials

NASA Astrophysics Data System (ADS)

Chopra, Meghali; Zhang, Zizhuo; Ekerdt, John; Bonnecaze, Roger T.

2016-03-01

A fast and inexpensive scheme for etch rate prediction using flexible continuum models and Bayesian statistics is demonstrated. Bulk etch rates of MgO are predicted using a steady-state model with volume-averaged plasma parameters and classical Langmuir surface kinetics. Plasma particle and surface kinetics are modeled within a global plasma framework using single component Metropolis Hastings methods and limited data. The accuracy of these predictions is evaluated with synthetic and experimental etch rate data for magnesium oxide in an ICP-RIE system. This approach is compared and superior to factorial models generated from JMP, a software package frequently employed for recipe creation and optimization.

Unified heat kernel regression for diffusion, kernel smoothing and wavelets on manifolds and its application to mandible growth modeling in CT images.

PubMed

Chung, Moo K; Qiu, Anqi; Seo, Seongho; Vorperian, Houri K

2015-05-01

We present a novel kernel regression framework for smoothing scalar surface data using the Laplace-Beltrami eigenfunctions. Starting with the heat kernel constructed from the eigenfunctions, we formulate a new bivariate kernel regression framework as a weighted eigenfunction expansion with the heat kernel as the weights. The new kernel method is mathematically equivalent to isotropic heat diffusion, kernel smoothing and recently popular diffusion wavelets. The numerical implementation is validated on a unit sphere using spherical harmonics. As an illustration, the method is applied to characterize the localized growth pattern of mandible surfaces obtained in CT images between ages 0 and 20 by regressing the length of displacement vectors with respect to a surface template. Copyright © 2015 Elsevier B.V. All rights reserved.

Registering Cortical Surfaces Based on Whole-Brain Structural Connectivity and Continuous Connectivity Analysis

PubMed Central

Gutman, Boris; Leonardo, Cassandra; Jahanshad, Neda; Hibar, Derrek; Eschen-burg, Kristian; Nir, Talia; Villalon, Julio; Thompson, Paul

2014-01-01

We present a framework for registering cortical surfaces based on tractography-informed structural connectivity. We define connectivity as a continuous kernel on the product space of the cortex, and develop a method for estimating this kernel from tractography fiber models. Next, we formulate the kernel registration problem, and present a means to non-linearly register two brains’ continuous connectivity profiles. We apply theoretical results from operator theory to develop an algorithm for decomposing the connectome into its shared and individual components. Lastly, we extend two discrete connectivity measures to the continuous case, and apply our framework to 98 Alzheimer’s patients and controls. Our measures show significant differences between the two groups. PMID:25320795

A logical foundation for representation of clinical data.

PubMed Central

Campbell, K E; Das, A K; Musen, M A

1994-01-01

OBJECTIVE: A general framework for representation of clinical data that provides a declarative semantics of terms and that allows developers to define explicitly the relationships among both terms and combinations of terms. DESIGN: Use of conceptual graphs as a standard representation of logic and of an existing standardized vocabulary, the Systematized Nomenclature of Medicine (SNOMED International), for lexical elements. Concepts such as time, anatomy, and uncertainty must be modeled explicitly in a way that allows relation of these foundational concepts to surface-level clinical descriptions in a uniform manner. RESULTS: The proposed framework was used to model a simple radiology report, which included temporal references. CONCLUSION: Formal logic provides a framework for formalizing the representation of medical concepts. Actual implementations will be required to evaluate the practicality of this approach. PMID:7719805

High-resolution Continental Scale Land Surface Model incorporating Land-water Management in United States

NASA Astrophysics Data System (ADS)

Shin, S.; Pokhrel, Y. N.

2016-12-01

Land surface models have been used to assess water resources sustainability under changing Earth environment and increasing human water needs. Overwhelming observational records indicate that human activities have ubiquitous and pertinent effects on the hydrologic cycle; however, they have been crudely represented in large scale land surface models. In this study, we enhance an integrated continental-scale land hydrology model named Leaf-Hydro-Flood to better represent land-water management. The model is implemented at high resolution (5km grids) over the continental US. Surface water and groundwater are withdrawn based on actual practices. Newly added irrigation, water diversion, and dam operation schemes allow better simulations of stream flows, evapotranspiration, and infiltration. Results of various hydrologic fluxes and stores from two sets of simulation (one with and the other without human activities) are compared over a range of river basin and aquifer scales. The improved simulations of land hydrology have potential to build consistent modeling framework for human-water-climate interactions.

Building polyhedra by self-assembly: theory and experiment.

PubMed

Kaplan, Ryan; Klobušický, Joseph; Pandey, Shivendra; Gracias, David H; Menon, Govind

2014-01-01

We investigate the utility of a mathematical framework based on discrete geometry to model biological and synthetic self-assembly. Our primary biological example is the self-assembly of icosahedral viruses; our synthetic example is surface-tension-driven self-folding polyhedra. In both instances, the process of self-assembly is modeled by decomposing the polyhedron into a set of partially formed intermediate states. The set of all intermediates is called the configuration space, pathways of assembly are modeled as paths in the configuration space, and the kinetics and yield of assembly are modeled by rate equations, Markov chains, or cost functions on the configuration space. We review an interesting interplay between biological function and mathematical structure in viruses in light of this framework. We discuss in particular: (i) tiling theory as a coarse-grained description of all-atom models; (ii) the building game-a growth model for the formation of polyhedra; and (iii) the application of these models to the self-assembly of the bacteriophage MS2. We then use a similar framework to model self-folding polyhedra. We use a discrete folding algorithm to compute a configuration space that idealizes surface-tension-driven self-folding and analyze pathways of assembly and dominant intermediates. These computations are then compared with experimental observations of a self-folding dodecahedron with side 300 μm. In both models, despite a combinatorial explosion in the size of the configuration space, a few pathways and intermediates dominate self-assembly. For self-folding polyhedra, the dominant intermediates have fewer degrees of freedom than comparable intermediates, and are thus more rigid. The concentration of assembly pathways on a few intermediates with distinguished geometric properties is biologically and physically important, and suggests deeper mathematical structure.

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

An Integrated Finite Element-based Simulation Framework: From Hole Piercing to Hole Expansion

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

Hu, Xiaohua; Sun, Xin; Golovashchenko, Segey F.

An integrated finite element-based modeling framework is developed to predict the hole expansion ratio (HER) of AA6111-T4 sheet by considering the piercing-induced damages around the hole edge. Using damage models and parameters calibrated from previously reported tensile stretchability studies, the predicted HER correlates well with experimentally measured HER values for different hole piercing clearances. The hole piercing model shows burrs are not generated on the sheared surface for clearances less than 20%, which corresponds well with the experimental data on pierced holes cross-sections. Finite-element-calculated HER also is not especially sensitive to piercing clearances less than this value. However, as clearancesmore » increase to 30% and further to 40%, the HER values are predicted to be considerably smaller, also consistent with experimental measurements. Upon validation, the integrated modeling framework is used to examine the effects of different hole piercing and hole expansion conditions on the critical HERs for AA6111-T4.« less

Global continental and ocean basin reconstructions since 200 Ma

NASA Astrophysics Data System (ADS)

Seton, M.; Müller, R. D.; Zahirovic, S.; Gaina, C.; Torsvik, T.; Shephard, G.; Talsma, A.; Gurnis, M.; Turner, M.; Maus, S.; Chandler, M.

2012-07-01

Global plate motion models provide a spatial and temporal framework for geological data and have been effective tools for exploring processes occurring at the earth's surface. However, published models either have insufficient temporal coverage or fail to treat tectonic plates in a self-consistent manner. They usually consider the motions of selected features attached to tectonic plates, such as continents, but generally do not explicitly account for the continuous evolution of plate boundaries through time. In order to explore the coupling between the surface and mantle, plate models are required that extend over at least a few hundred million years and treat plates as dynamic features with dynamically evolving plate boundaries. We have constructed a new type of global plate motion model consisting of a set of continuously-closing topological plate polygons with associated plate boundaries and plate velocities since the break-up of the supercontinent Pangea. Our model is underpinned by plate motions derived from reconstructing the seafloor-spreading history of the ocean basins and motions of the continents and utilizes a hybrid absolute reference frame, based on a moving hotspot model for the last 100 Ma, and a true-polar wander corrected paleomagnetic model for 200 to 100 Ma. Detailed regional geological and geophysical observations constrain plate boundary inception or cessation, and time-dependent geometry. Although our plate model is primarily designed as a reference model for a new generation of geodynamic studies by providing the surface boundary conditions for the deep earth, it is also useful for studies in disparate fields when a framework is needed for analyzing and interpreting spatio-temporal data.

Interpretation of Ground Temperature Anomalies in Hydrothermal Discharge Areas

NASA Astrophysics Data System (ADS)

Price, A. N.; Lindsey, C.; Fairley, J. P., Jr.

2017-12-01

Researchers have long noted the potential for shallow hydrothermal fluids to perturb near-surface temperatures. Several investigators have made qualitative or semi-quantitative use of elevated surface temperatures; for example, in snowfall calorimetry, or for tracing subsurface flow paths. However, little effort has been expended to develop a quantitative framework connecting surface temperature observations with conditions in the subsurface. Here, we examine an area of shallow subsurface flow at Burgdorf Hot Springs, in the Payette National Forest, north of McCall, Idaho USA. We present a simple analytical model that uses easily-measured surface data to infer the temperatures of laterally-migrating shallow hydrothermal fluids. The model is calibrated using shallow ground temperature measurements and overburden thickness estimates from seismic refraction studies. The model predicts conditions in the shallow subsurface, and suggests that the Biot number may place a more important control on the expression of near-surface thermal perturbations than previously thought. In addition, our model may have application in inferring difficult-to-measure parameters, such as shallow subsurface discharge from hydrothermal springs.

A universal surface complexation framework for modeling proton binding onto bacterial surfaces in geologic settings

USGS Publications Warehouse

Borrok, D.; Turner, B.F.; Fein, J.B.

2005-01-01

Adsorption onto bacterial cell walls can significantly affect the speciation and mobility of aqueous metal cations in many geologic settings. However, a unified thermodynamic framework for describing bacterial adsorption reactions does not exist. This problem originates from the numerous approaches that have been chosen for modeling bacterial surface protonation reactions. In this study, we compile all currently available potentiometric titration datasets for individual bacterial species, bacterial consortia, and bacterial cell wall components. Using a consistent, four discrete site, non-electrostatic surface complexation model, we determine total functional group site densities for all suitable datasets, and present an averaged set of 'universal' thermodynamic proton binding and site density parameters for modeling bacterial adsorption reactions in geologic systems. Modeling results demonstrate that the total concentrations of proton-active functional group sites for the 36 bacterial species and consortia tested are remarkably similar, averaging 3.2 ?? 1.0 (1??) ?? 10-4 moles/wet gram. Examination of the uncertainties involved in the development of proton-binding modeling parameters suggests that ignoring factors such as bacterial species, ionic strength, temperature, and growth conditions introduces relatively small error compared to the unavoidable uncertainty associated with the determination of cell abundances in realistic geologic systems. Hence, we propose that reasonable estimates of the extent of bacterial cell wall deprotonation can be made using averaged thermodynamic modeling parameters from all of the experiments that are considered in this study, regardless of bacterial species used, ionic strength, temperature, or growth condition of the experiment. The average site densities for the four discrete sites are 1.1 ?? 0.7 ?? 10-4, 9.1 ?? 3.8 ?? 10-5, 5.3 ?? 2.1 ?? 10-5, and 6.6 ?? 3.0 ?? 10-5 moles/wet gram bacteria for the sites with pKa values of 3.1, 4.7, 6.6, and 9.0, respectively. It is our hope that this thermodynamic framework for modeling bacteria-proton binding reactions will also provide the basis for the development of an internally consistent set of bacteria-metal binding constants. 'Universal' constants for bacteria-metal binding reactions can then be used in conjunction with equilibrium constants for other important metal adsorption and complexation reactions to calculate the overall distribution of metals in realistic geologic systems.

Open source data assimilation framework for hydrological modeling

NASA Astrophysics Data System (ADS)

Ridler, Marc; Hummel, Stef; van Velzen, Nils; Katrine Falk, Anne; Madsen, Henrik

2013-04-01

An open-source data assimilation framework is proposed for hydrological modeling. Data assimilation (DA) in hydrodynamic and hydrological forecasting systems has great potential to improve predictions and improve model result. The basic principle is to incorporate measurement information into a model with the aim to improve model results by error minimization. Great strides have been made to assimilate traditional in-situ measurements such as discharge, soil moisture, hydraulic head and snowpack into hydrologic models. More recently, remotely sensed data retrievals of soil moisture, snow water equivalent or snow cover area, surface water elevation, terrestrial water storage and land surface temperature have been successfully assimilated in hydrological models. The assimilation algorithms have become increasingly sophisticated to manage measurement and model bias, non-linear systems, data sparsity (time & space) and undetermined system uncertainty. It is therefore useful to use a pre-existing DA toolbox such as OpenDA. OpenDA is an open interface standard for (and free implementation of) a set of tools to quickly implement DA and calibration for arbitrary numerical models. The basic design philosophy of OpenDA is to breakdown DA into a set of building blocks programmed in object oriented languages. To implement DA, a model must interact with OpenDA to create model instances, propagate the model, get/set variables (or parameters) and free the model once DA is completed. An open-source interface for hydrological models exists capable of all these tasks: OpenMI. OpenMI is an open source standard interface already adopted by key hydrological model providers. It defines a universal approach to interact with hydrological models during simulation to exchange data during runtime, thus facilitating the interactions between models and data sources. The interface is flexible enough so that models can interact even if the model is coded in a different language, represent processes from a different domain or have different spatial and temporal resolutions. An open source framework that bridges OpenMI and OpenDA is presented. The framework provides a generic and easy means for any OpenMI compliant model to assimilate observation measurements. An example test case will be presented using MikeSHE, and OpenMI compliant fully coupled integrated hydrological model that can accurately simulate the feedback dynamics of overland flow, unsaturated zone and saturated zone.

Classical theory of atom-surface scattering: The rainbow effect

NASA Astrophysics Data System (ADS)

Miret-Artés, Salvador; Pollak, Eli

2012-07-01

The scattering of heavy atoms and molecules from surfaces is oftentimes dominated by classical mechanics. A large body of experiments have gathered data on the angular distributions of the scattered species, their energy loss distribution, sticking probability, dependence on surface temperature and more. For many years these phenomena have been considered theoretically in the framework of the “washboard model” in which the interaction of the incident particle with the surface is described in terms of hard wall potentials. Although this class of models has helped in elucidating some of the features it left open many questions such as: true potentials are clearly not hard wall potentials, it does not provide a realistic framework for phonon scattering, and it cannot explain the incident angle and incident energy dependence of rainbow scattering, nor can it provide a consistent theory for sticking. In recent years we have been developing a classical perturbation theory approach which has provided new insight into the dynamics of atom-surface scattering. The theory includes both surface corrugation as well as interaction with surface phonons in terms of harmonic baths which are linearly coupled to the system coordinates. This model has been successful in elucidating many new features of rainbow scattering in terms of frictions and bath fluctuations or noise. It has also given new insight into the origins of asymmetry in atomic scattering from surfaces. New phenomena deduced from the theory include friction induced rainbows, energy loss rainbows, a theory of super-rainbows, and more. In this review we present the classical theory of atom-surface scattering as well as extensions and implications for semiclassical scattering and the further development of a quantum theory of surface scattering. Special emphasis is given to the inversion of scattering data into information on the particle-surface interactions.

Modelling the role of surface stress on the kinetics of tissue growth in confined geometries.

PubMed

Gamsjäger, E; Bidan, C M; Fischer, F D; Fratzl, P; Dunlop, J W C

2013-03-01

In a previous paper we presented a theoretical framework to describe tissue growth in confined geometries based on the work of Ambrosi and Guillou [Ambrosi D, Guillou A. Growth and dissipation in biological tissues. Cont Mech Thermodyn 2007;19:245-51]. A thermodynamically consistent eigenstrain rate for growth was derived using the concept of configurational forces and used to investigate growth in holes of cylindrical geometries. Tissue growing from concave surfaces can be described by a model based on this theory. However, an apparently asymmetric behaviour between growth from convex and concave surfaces has been observed experimentally, but is not predicted by this model. This contradiction is likely to be due to the presence of contractile tensile stresses produced by cells near the tissue surface. In this contribution we extend the model in order to couple tissue growth to the presence of a surface stress. This refined growth model is solved for two geometries, within a cylindrical hole and on the outer surface of a cylinder, thus demonstrating how surface stress may indeed inhibit growth on convex substrates. Copyright © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Surface tension and density of Si-Ge melts

NASA Astrophysics Data System (ADS)

Ricci, Enrica; Amore, Stefano; Giuranno, Donatella; Novakovic, Rada; Tuissi, Ausonio; Sobczak, Natalia; Nowak, Rafal; Korpala, Bartłomiej; Bruzda, Grzegorz

2014-06-01

In this work, the surface tension and density of Si-Ge liquid alloys were determined by the pendant drop method. Over the range of measurements, both properties show a linear temperature dependence and a nonlinear concentration dependence. Indeed, the density decreases with increasing silicon content exhibiting positive deviation from ideality, while the surface tension increases and deviates negatively with respect to the ideal solution model. Taking into account the Si-Ge phase diagram, a simple lens type, the surface tension behavior of the Si-Ge liquid alloys was analyzed in the framework of the Quasi-Chemical Approximation for the Regular Solutions model. The new experimental results were compared with a few data available in the literature, obtained by the containerless method.

A Multiscale Nested Modeling Framework to Simulate the Interaction of Surface Gravity Waves with Nonlinear Internal Gravity Waves

DTIC Science & Technology

2015-09-30

Meneveau, C., and L. Shen (2014), Large-eddy simulation of offshore wind farm , Physics of Fluids, 26, 025101. Zhang, Z., Fringer, O.B., and S.R...being centimeter scale, surface mixed layer processes arising from the combined actions of tides, winds and mesoscale currents. Issues related to...the internal wave field and how it impacts the surface waves. APPROACH We are focusing on the problem of modification of the wind -wave field

Nitrous oxide emissions estimated with the Carbon Tracker Lagrange regional inversion framework suggest the North American source comes predominantly from agricultural regions

NASA Astrophysics Data System (ADS)

Nevison, C. D.; Andrews, A. E.; Thoning, K. W.; Saikawa, E.; Dlugokencky, E. J.; Sweeney, C.; Benmergui, J. S.

2016-12-01

The Carbon Tracker Lagrange (CTL) regional inversion framework is used to estimate North American nitrous oxide (N2O) emissions of 1.6 ± 0.4 Tg N/yr over 2008-2013. More than half of the North American emissions are estimated to come from the central agricultural belt, extending from southern Canada to Texas, and are strongest in spring and early summer, consistent with a nitrogen fertilizer-driven source. The estimated N2O flux from the Midwestern corn/soybean belt and the more northerly wheat belt corresponds to 5% of synthetic + organic N fertilizer applied to those regions. While earlier regional atmospheric inversion studies have suggested that global inventories such as EDGAR may be underestimating U.S. anthropogenic N2O emissions by a factor of 3 or more, our results, integrated over a full calendar year, are generally consistent with those inventories and with global inverse model results and budget constraints. The CTL framework is a Bayesian method based on footprints from the Stochastic Time-Inverted Lagrangian Transport (STILT) model applied to atmospheric N2O data from the National Oceanic and Atmospheric Administration (NOAA) Global Greenhouse Gas Reference Network, including surface, aircraft and tall tower platforms. The CTL inversion results are sensitive to the prescribed boundary condition or background value of N2O, which is estimated based on a new Empirical BackGround (EBG) product derived from STILT back trajectories applied to NOAA data. Analysis of the N2O EBG products suggests a significant, seasonally-varying influence on surface N2O data due to the stratospheric influx of N2O-depleted air. Figure 1. Posterior annual mean N2O emissions for 2010 estimated with the CTL regional inversion framework. The locations of NOAA surface and aircraft data used in the inversion are superimposed as black circles and grey triangles, respectively. Mobile surface sites are indicated with asterisks.

The island dynamics model on parallel quadtree grids

NASA Astrophysics Data System (ADS)

Mistani, Pouria; Guittet, Arthur; Bochkov, Daniil; Schneider, Joshua; Margetis, Dionisios; Ratsch, Christian; Gibou, Frederic

2018-05-01

We introduce an approach for simulating epitaxial growth by use of an island dynamics model on a forest of quadtree grids, and in a parallel environment. To this end, we use a parallel framework introduced in the context of the level-set method. This framework utilizes: discretizations that achieve a second-order accurate level-set method on non-graded adaptive Cartesian grids for solving the associated free boundary value problem for surface diffusion; and an established library for the partitioning of the grid. We consider the cases with: irreversible aggregation, which amounts to applying Dirichlet boundary conditions at the island boundary; and an asymmetric (Ehrlich-Schwoebel) energy barrier for attachment/detachment of atoms at the island boundary, which entails the use of a Robin boundary condition. We provide the scaling analyses performed on the Stampede supercomputer and numerical examples that illustrate the capability of our methodology to efficiently simulate different aspects of epitaxial growth. The combination of adaptivity and parallelism in our approach enables simulations that are several orders of magnitude faster than those reported in the recent literature and, thus, provides a viable framework for the systematic study of mound formation on crystal surfaces.

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.

Understanding bone responses in B-mode ultrasound images and automatic bone surface extraction using a Bayesian probabilistic framework

NASA Astrophysics Data System (ADS)

Jain, Ameet K.; Taylor, Russell H.

2004-04-01

The registration of preoperative CT to intra-operative reality systems is a crucial step in Computer Assisted Orthopedic Surgery (CAOS). The intra-operative sensors include 3D digitizers, fiducials, X-rays and Ultrasound (US). Although US has many advantages over others, tracked US for Orthopedic Surgery has been researched by only a few authors. An important factor limiting the accuracy of tracked US to CT registration (1-3mm) has been the difficulty in determining the exact location of the bone surfaces in the US images (the response could range from 2-4mm). Thus it is crucial to localize the bone surface accurately from these images. Moreover conventional US imaging systems are known to have certain inherent inaccuracies, mainly due to the fact that the imaging model is assumed planar. This creates the need to develop a bone segmentation framework that can couple information from various post-processed spatially separated US images (of the bone) to enhance the localization of the bone surface. In this paper we discuss the various reasons that cause inherent uncertainties in the bone surface localization (in B-mode US images) and suggest methods to account for these. We also develop a method for automatic bone surface detection. To do so, we account objectively for the high-level understanding of the various bone surface features visible in typical US images. A combination of these features would finally decide the surface position. We use a Bayesian probabilistic framework, which strikes a fair balance between high level understanding from features in an image and the low level number crunching of standard image processing techniques. It also provides us with a mathematical approach that facilitates combining multiple images to augment the bone surface estimate.

A new model for in situ nitrogen incorporation into 4H-SiC during epitaxy

PubMed Central

Ferro, Gabriel; Chaussende, Didier

2017-01-01

Nitrogen doping of 4H-SiC during vapor phase epitaxy is still lacking of a general model explaining the apparently contradictory trends obtained by different teams. In this paper, the evolutions of nitrogen incorporation (on both polar Si and C faces) as a function of the main growth parameters (C/Si ratio, temperature, pressure and growth rate) are reviewed and explained using a model based on surface exchanges between the gas phase and the uppermost 4H-SiC atomic layers. In this model, N incorporation is driven mainly by the transient formation of C vacancies, due to H2 etching, at the surface or near the surface. It is shown that all the growth parameters are influencing the probability of C vacancies formation in a similar manner as they do for N incorporation. The surface exchange model proposes a new framework for explaining the experimental results even beyond the commonly accepted reactor type dependency. PMID:28211528

Simultaneous Force Regression and Movement Classification of Fingers via Surface EMG within a Unified Bayesian Framework.

PubMed

Baldacchino, Tara; Jacobs, William R; Anderson, Sean R; Worden, Keith; Rowson, Jennifer

2018-01-01

This contribution presents a novel methodology for myolectric-based control using surface electromyographic (sEMG) signals recorded during finger movements. A multivariate Bayesian mixture of experts (MoE) model is introduced which provides a powerful method for modeling force regression at the fingertips, while also performing finger movement classification as a by-product of the modeling algorithm. Bayesian inference of the model allows uncertainties to be naturally incorporated into the model structure. This method is tested using data from the publicly released NinaPro database which consists of sEMG recordings for 6 degree-of-freedom force activations for 40 intact subjects. The results demonstrate that the MoE model achieves similar performance compared to the benchmark set by the authors of NinaPro for finger force regression. Additionally, inherent to the Bayesian framework is the inclusion of uncertainty in the model parameters, naturally providing confidence bounds on the force regression predictions. Furthermore, the integrated clustering step allows a detailed investigation into classification of the finger movements, without incurring any extra computational effort. Subsequently, a systematic approach to assessing the importance of the number of electrodes needed for accurate control is performed via sensitivity analysis techniques. A slight degradation in regression performance is observed for a reduced number of electrodes, while classification performance is unaffected.

Creating "Intelligent" Ensemble Averages Using a Process-Based Framework

NASA Astrophysics Data System (ADS)

Baker, Noel; Taylor, Patrick

2014-05-01

The CMIP5 archive contains future climate projections from over 50 models provided by dozens of modeling centers from around the world. Individual model projections, however, are subject to biases created by structural model uncertainties. As a result, ensemble averaging of multiple models is used to add value to individual model projections and construct a consensus projection. Previous reports for the IPCC establish climate change projections based on an equal-weighted average of all model projections. However, individual models reproduce certain climate processes better than other models. Should models be weighted based on performance? Unequal ensemble averages have previously been constructed using a variety of mean state metrics. What metrics are most relevant for constraining future climate projections? This project develops a framework for systematically testing metrics in models to identify optimal metrics for unequal weighting multi-model ensembles. The intention is to produce improved ("intelligent") unequal-weight ensemble averages. A unique aspect of this project is the construction and testing of climate process-based model evaluation metrics. A climate process-based metric is defined as a metric based on the relationship between two physically related climate variables—e.g., outgoing longwave radiation and surface temperature. Several climate process metrics are constructed using high-quality Earth radiation budget data from NASA's Clouds and Earth's Radiant Energy System (CERES) instrument in combination with surface temperature data sets. It is found that regional values of tested quantities can vary significantly when comparing the equal-weighted ensemble average and an ensemble weighted using the process-based metric. Additionally, this study investigates the dependence of the metric weighting scheme on the climate state using a combination of model simulations including a non-forced preindustrial control experiment, historical simulations, and several radiative forcing Representative Concentration Pathway (RCP) scenarios. Ultimately, the goal of the framework is to advise better methods for ensemble averaging models and create better climate predictions.

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

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

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

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

Evaluation of Cartosat-1 Multi-Scale Digital Surface Modelling Over France

PubMed Central

Gianinetto, Marco

2009-01-01

On 5 May 2005, the Indian Space Research Organization launched Cartosat-1, the eleventh satellite of its constellation, dedicated to the stereo viewing of the Earth's surface for terrain modeling and large-scale mapping, from the Satish Dhawan Space Centre (India). In early 2006, the Indian Space Research Organization started the Cartosat-1 Scientific Assessment Programme, jointly established with the International Society for Photogrammetry and Remote Sensing. Within this framework, this study evaluated the capabilities of digital surface modeling from Cartosat-1 stereo data for the French test sites of Mausanne les Alpilles and Salon de Provence. The investigation pointed out that for hilly territories it is possible to produce high-resolution digital surface models with a root mean square error less than 7.1 m and a linear error at 90% confidence level less than 9.5 m. The accuracy of the generated digital surface models also fulfilled the requirements of the French Reference 3D®, so Cartosat-1 data may be used to produce or update such kinds of products. PMID:22412311

A framework to simulate small shallow inland water bodies in semi-arid regions

NASA Astrophysics Data System (ADS)

Abbasi, Ali; Ohene Annor, Frank; van de Giesen, Nick

2017-12-01

In this study, a framework for simulating the flow field and heat transfer processes in small shallow inland water bodies has been developed. As the dynamics and thermal structure of these water bodies are crucial in studying the quality of stored water , and in assessing the heat fluxes from their surfaces as well, the heat transfer and temperature simulations were modeled. The proposed model is able to simulate the full 3-D water flow and heat transfer in the water body by applying complex and time varying boundary conditions. In this model, the continuity, momentum and temperature equations together with the turbulence equations, which comprise the buoyancy effect, have been solved. This model is built on the Reynolds Averaged Navier Stokes (RANS) equations with the widely used Boussinesq approach to solve the turbulence issues of the flow field. Micrometeorological data were obtained from an Automatic Weather Station (AWS) installed on the site and combined with field bathymetric measurements for the model. In the framework developed, a simple, applicable and generalizable approach is proposed for preparing the geometry of small shallow water bodies using coarsely measured bathymetry. All parts of the framework are based on open-source tools, which is essential for developing countries.

Spatio-temporal population estimates for risk management

NASA Astrophysics Data System (ADS)

Cockings, Samantha; Martin, David; Smith, Alan; Martin, Rebecca

2013-04-01

Accurate estimation of population at risk from hazards and effective emergency management of events require not just appropriate spatio-temporal modelling of hazards but also of population. While much recent effort has been focused on improving the modelling and predictions of hazards (both natural and anthropogenic), there has been little parallel advance in the measurement or modelling of population statistics. Different hazard types occur over diverse temporal cycles, are of varying duration and differ significantly in their spatial extent. Even events of the same hazard type, such as flood events, vary markedly in their spatial and temporal characteristics. Conceptually and pragmatically then, population estimates should also be available for similarly varying spatio-temporal scales. Routine population statistics derived from traditional censuses or surveys are usually static representations in both space and time, recording people at their place of usual residence on census/survey night and presenting data for administratively defined areas. Such representations effectively fix the scale of population estimates in both space and time, which is unhelpful for meaningful risk management. Over recent years, the Pop24/7 programme of research, based at the University of Southampton (UK), has developed a framework for spatio-temporal modelling of population, based on gridded population surfaces. Based on a data model which is fully flexible in terms of space and time, the framework allows population estimates to be produced for any time slice relevant to the data contained in the model. It is based around a set of origin and destination centroids, which have capacities, spatial extents and catchment areas, all of which can vary temporally, such as by time of day, day of week, season. A background layer, containing information on features such as transport networks and landuse, provides information on the likelihood of people being in certain places at specific times. Unusual patterns associated with special events can also be modelled and the framework is fully volume preserving. Outputs from the model are gridded population surfaces for the specified time slice, either for total population or by sub-groups (e.g. age). Software to implement the models (SurfaceBuilder247) has been developed and pre-processed layers for typical time slices for England and Wales in 2001 and 2006 are available for UK academic purposes. The outputs and modelling framework from the Pop24/7 programme provide significant opportunities for risk management applications. For estimates of mid- to long-term cumulative population exposure to hazards, such as in flood risk mapping, populations can be produced for numerous time slices and integrated with flood models. For applications in emergency response/ management, time-specific population models can be used as seeds for agent-based models or other response/behaviour models. Estimates for sub-groups of the population also permit exploration of vulnerability through space and time. This paper outlines the requirements for effective spatio-temporal population models for risk management. It then describes the Pop24/7 framework and illustrates its potential for risk management through presentation of examples from natural and anthropogenic hazard applications. The paper concludes by highlighting key challenges for future research in this area.

Kinetic multi-layer model of aerosol surface and bulk chemistry (KM-SUB): the influence of interfacial transport and bulk diffusion on the oxidation of oleic acid by ozone

NASA Astrophysics Data System (ADS)

Shiraiwa, Manabu; Pfrang, Christian; Pöschl, Ulrich

2010-05-01

Aerosols are ubiquitous in the atmosphere and have strong effects on climate and public health. Gas-particle interactions can significantly change the physical and chemical properties of aerosols such as toxicity, reactivity, hygroscopicity and radiative properties. Chemical reactions and mass transport lead to continuous transformation and changes in the composition of atmospheric aerosols ("chemical aging"). Resistor model formulations are widely used to describe and investigate heterogeneous reactions and multiphase processes in laboratory, field and model studies of atmospheric chemistry. The traditional resistor models, however, are usually based on simplifying assumptions such as steady state conditions, homogeneous mixing, and limited numbers of non-interacting species and processes. In order to overcome these limitations, Pöschl, Rudich and Ammann have developed a kinetic model framework (PRA framework) with a double-layer surface concept and universally applicable rate equations and parameters for mass transport and chemical reactions at the gas-particle interface of aerosols and clouds [1]. Based on the PRA framework, we present a novel kinetic multi-layer model that explicitly resolves mass transport and chemical reaction at the surface and in the bulk of aerosol particles (KM-SUB) [2]. The model includes reversible adsorption, surface reactions and surface-bulk exchange as well as bulk diffusion and reaction. Unlike earlier models, KM-SUB does not require simplifying assumptions about steady-state conditions and radial mixing. The temporal evolution and concentration profiles of volatile and non-volatile species at the gas-particle interface and in the particle bulk can be modeled along with surface concentrations and gas uptake coefficients. In this study we explore and exemplify the effects of bulk diffusion on the rate of reactive gas uptake for a simple reference system, the ozonolysis of oleic acid particles, in comparison to experimental data and earlier model studies. We demonstrate how KM-SUB can be used to interpret and analyze experimental data from laboratory studies, and how the results can be extrapolated to atmospheric conditions. In particular, we show how interfacial transport and bulk transport, i.e., surface accommodation, bulk accommodation and bulk diffusion, influence the kinetics of the chemical reaction. Sensitivity studies suggest that in fine air particulate matter oleic acid and compounds with similar reactivity against ozone (C=C double bonds) can reach chemical life-times of multiple hours only if they are embedded in a (semi-)solid matrix with very low diffusion coefficients (~10-10 cm2 s-1). Depending on the complexity of the investigated system, unlimited numbers of volatile and non-volatile species and chemical reactions can be flexibly added and treated with KM-SUB. We propose and intend to pursue the application of KM-SUB as a basis for the development of a detailed master mechanism of aerosol chemistry as well as for the derivation of simplified but realistic parameterizations for large-scale atmospheric and climate models. References [1] Pöschl et al., Atmos. Chem. and Phys., 7, 5989-6023 (2007). [2] Shiraiwa et al., Atmos. Chem. Phys. Discuss., 10, 281-326 (2010).

Unified Heat Kernel Regression for Diffusion, Kernel Smoothing and Wavelets on Manifolds and Its Application to Mandible Growth Modeling in CT Images

PubMed Central

Chung, Moo K.; Qiu, Anqi; Seo, Seongho; Vorperian, Houri K.

2014-01-01

We present a novel kernel regression framework for smoothing scalar surface data using the Laplace-Beltrami eigenfunctions. Starting with the heat kernel constructed from the eigenfunctions, we formulate a new bivariate kernel regression framework as a weighted eigenfunction expansion with the heat kernel as the weights. The new kernel regression is mathematically equivalent to isotropic heat diffusion, kernel smoothing and recently popular diffusion wavelets. Unlike many previous partial differential equation based approaches involving diffusion, our approach represents the solution of diffusion analytically, reducing numerical inaccuracy and slow convergence. The numerical implementation is validated on a unit sphere using spherical harmonics. As an illustration, we have applied the method in characterizing the localized growth pattern of mandible surfaces obtained in CT images from subjects between ages 0 and 20 years by regressing the length of displacement vectors with respect to the template surface. PMID:25791435

Integrated optimization of planetary rover layout and exploration routes

NASA Astrophysics Data System (ADS)

Lee, Dongoo; Ahn, Jaemyung

2018-01-01

This article introduces an optimization framework for the integrated design of a planetary surface rover and its exploration route that is applicable to the initial phase of a planetary exploration campaign composed of multiple surface missions. The scientific capability and the mobility of a rover are modelled as functions of the science weight fraction, a key parameter characterizing the rover. The proposed problem is formulated as a mixed-integer nonlinear program that maximizes the sum of profits obtained through a planetary surface exploration mission by simultaneously determining the science weight fraction of the rover, the sites to visit and their visiting sequences under resource consumption constraints imposed on each route and collectively on a mission. A solution procedure for the proposed problem composed of two loops (the outer loop and the inner loop) is developed. The results of test cases demonstrating the effectiveness of the proposed framework are presented.

Three-dimensional hydrogeologic framework model of the Rio Grande transboundary region of New Mexico and Texas, USA, and northern Chihuahua, Mexico

USGS Publications Warehouse

Sweetkind, Donald S.

2017-09-08

As part of a U.S. Geological Survey study in cooperation with the Bureau of Reclamation, a digital three-dimensional hydrogeologic framework model was constructed for the Rio Grande transboundary region of New Mexico and Texas, USA, and northern Chihuahua, Mexico. This model was constructed to define the aquifer system geometry and subsurface lithologic characteristics and distribution for use in a regional numerical hydrologic model. The model includes five hydrostratigraphic units: river channel alluvium, three informal subdivisions of Santa Fe Group basin fill, and an undivided pre-Santa Fe Group bedrock unit. Model input data were compiled from published cross sections, well data, structure contour maps, selected geophysical data, and contiguous compilations of surficial geology and structural features in the study area. These data were used to construct faulted surfaces that represent the upper and lower subsurface hydrostratigraphic unit boundaries. The digital three-dimensional hydrogeologic framework model is constructed through combining faults, the elevation of the tops of each hydrostratigraphic unit, and boundary lines depicting the subsurface extent of each hydrostratigraphic unit. The framework also compiles a digital representation of the distribution of sedimentary facies within each hydrostratigraphic unit. The digital three-dimensional hydrogeologic model reproduces with reasonable accuracy the previously published subsurface hydrogeologic conceptualization of the aquifer system and represents the large-scale geometry of the subsurface aquifers. The model is at a scale and resolution appropriate for use as the foundation for a numerical hydrologic model of the study area.

Cloud Feedbacks on Greenhouse Warming in a Multi-Scale Modeling Framework with a Higher-Order Turbulence Closure

NASA Technical Reports Server (NTRS)

Cheng, Anning; Xu, Kuan-Man

2015-01-01

Five-year simulation experiments with a multi-scale modeling Framework (MMF) with a advanced intermediately prognostic higher-order turbulence closure (IPHOC) in its cloud resolving model (CRM) component, also known as SPCAM-IPHOC (super parameterized Community Atmospheric Model), are performed to understand the fast tropical (30S-30N) cloud response to an instantaneous doubling of CO2 concentration with SST held fixed at present-day values. SPCAM-IPHOC has substantially improved the low-level representation compared with SPCAM. It is expected that the cloud responses to greenhouse warming in SPCAM-IPHOC is more realistic. The change of rising motion, surface precipitation, cloud cover, and shortwave and longwave cloud radiative forcing in SPCAM-IPHOC from the greenhouse warming will be presented in the presentation.

Integrated Instrument Simulator Suites for Earth Science

NASA Technical Reports Server (NTRS)

Tanelli, Simone; Tao, Wei-Kuo; Matsui, Toshihisa; Hostetler, Chris; Hair, Johnathan; Butler, Carolyn; Kuo, Kwo-Sen; Niamsuwan, Noppasin; Johnson, Michael P.; Jacob, Joseph C.;

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.

Reconstruction of 3d Models from Point Clouds with Hybrid Representation

NASA Astrophysics Data System (ADS)

Hu, P.; Dong, Z.; Yuan, P.; Liang, F.; Yang, B.

2018-05-01

The three-dimensional (3D) reconstruction of urban buildings from point clouds has long been an active topic in applications related to human activities. However, due to the structures significantly differ in terms of complexity, the task of 3D reconstruction remains a challenging issue especially for the freeform surfaces. In this paper, we present a new reconstruction algorithm which allows the 3D-models of building as a combination of regular structures and irregular surfaces, where the regular structures are parameterized plane primitives and the irregular surfaces are expressed as meshes. The extraction of irregular surfaces starts with an over-segmented method for the unstructured point data, a region growing approach based the adjacent graph of super-voxels is then applied to collapse these super-voxels, and the freeform surfaces can be clustered from the voxels filtered by a thickness threshold. To achieve these regular planar primitives, the remaining voxels with a larger flatness will be further divided into multiscale super-voxels as basic units, and the final segmented planes are enriched and refined in a mutually reinforcing manner under the framework of a global energy optimization. We have implemented the proposed algorithms and mainly tested on two point clouds that differ in point density and urban characteristic, and experimental results on complex building structures illustrated the efficacy of the proposed framework.

DasPy 1.0 - the Open Source Multivariate Land Data Assimilation Framework in combination with the Community Land Model 4.5

NASA Astrophysics Data System (ADS)

Han, X.; Li, X.; He, G.; Kumbhar, P.; Montzka, C.; Kollet, S.; Miyoshi, T.; Rosolem, R.; Zhang, Y.; Vereecken, H.; Franssen, H.-J. H.

2015-08-01

Data assimilation has become a popular method to integrate observations from multiple sources with land surface models to improve predictions of the water and energy cycles of the soil-vegetation-atmosphere continuum. Multivariate data assimilation refers to the simultaneous assimilation of observation data from multiple model state variables into a simulation model. In recent years, several land data assimilation systems have been developed in different research agencies. Because of the software availability or adaptability, these systems are not easy to apply for the purpose of multivariate land data assimilation research. We developed an open source multivariate land data assimilation framework (DasPy) which is implemented using the Python script language mixed with the C++ and Fortran programming languages. LETKF (Local Ensemble Transform Kalman Filter) is implemented as the main data assimilation algorithm, and uncertainties in the data assimilation can be introduced by perturbed atmospheric forcing data, and represented by perturbed soil and vegetation parameters and model initial conditions. The Community Land Model (CLM) was integrated as the model operator. The implementation allows also parameter estimation (soil properties and/or leaf area index) on the basis of the joint state and parameter estimation approach. The Community Microwave Emission Modelling platform (CMEM), COsmic-ray Soil Moisture Interaction Code (COSMIC) and the Two-Source Formulation (TSF) were integrated as observation operators for the assimilation of L-band passive microwave, cosmic-ray soil moisture probe and land surface temperature measurements, respectively. DasPy has been evaluated in several assimilation studies of neutron count intensity (soil moisture), L-band brightness temperature and land surface temperature. DasPy is parallelized using the hybrid Message Passing Interface and Open Multi-Processing techniques. All the input and output data flows are organized efficiently using the commonly used NetCDF file format. Online 1-D and 2-D visualization of data assimilation results is also implemented to facilitate the post simulation analysis. In summary, DasPy is a ready to use open source parallel multivariate land data assimilation framework.

Modeling of Complex Coupled Fluid-Structure Interaction Systems in Arbitrary Water Depth

DTIC Science & Technology

2008-01-01

model in a particle finite element method ( PFEM ) based framework for the ALE-RANS solver and submitted a journal paper recently [1]. In the paper, we...developing a fluid-flexible structure interaction model without free surface using ALE-RANS and k-ε turbulence closure model implemented by PFEM . In...the ALE_RANS and k-ε turbulence closure model based on the particle finite element Method ( PFEM ) and obtained some satisfying results [1-2]. The

General Multivariate Linear Modeling of Surface Shapes Using SurfStat

PubMed Central

Chung, Moo K.; Worsley, Keith J.; Nacewicz, Brendon, M.; Dalton, Kim M.; Davidson, Richard J.

2010-01-01

Although there are many imaging studies on traditional ROI-based amygdala volumetry, there are very few studies on modeling amygdala shape variations. This paper present a unified computational and statistical framework for modeling amygdala shape variations in a clinical population. The weighted spherical harmonic representation is used as to parameterize, to smooth out, and to normalize amygdala surfaces. The representation is subsequently used as an input for multivariate linear models accounting for nuisance covariates such as age and brain size difference using SurfStat package that completely avoids the complexity of specifying design matrices. The methodology has been applied for quantifying abnormal local amygdala shape variations in 22 high functioning autistic subjects. PMID:20620211

Generalized interactions using virtual tools within the spring framework: cutting

NASA Technical Reports Server (NTRS)

Montgomery, Kevin; Bruyns, Cynthia D.

2002-01-01

We present schemes for real-time generalized mesh cutting. Starting with the a basic example, we describe the details of implementing cutting on single and multiple surface objects as well as hybrid and volumetric meshes using virtual tools with single and multiple cutting surfaces. These methods have been implemented in a robust surgical simulation environment allowing us to model procedures ranging from animal dissection to cleft lip correction.

New constraints on neutron star models of gamma-ray bursts. II - X-ray observations of three gamma-ray burst error boxes

NASA Technical Reports Server (NTRS)

Boer, M.; Hurley, K.; Pizzichini, G.; Gottardi, M.

1991-01-01

Exosat observations are presented for 3 gamma-ray-burst error boxes, one of which may be associated with an optical flash. No point sources were detected at the 3-sigma level. A comparison with Einstein data (Pizzichini et al., 1986) is made for the March 5b, 1979 source. The data are interpreted in the framework of neutron star models and derive upper limits for the neutron star surface temperatures, accretion rates, and surface densities of an accretion disk. Apart from the March 5b, 1979 source, consistency is found with each model.

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.

Bridging Zirconia Nodes within a Metal–Organic Framework via Catalytic Ni-Hydroxo Clusters to Form Heterobimetallic Nanowires

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

Platero-Prats, Ana E.; League, Aaron B.; Bernales, Varinia

2017-07-24

Metal-organic frameworks (MOFs), with their well-ordered pore networks and tunable surface chemistries, offer a versatile platform for preparing well-defined nanostructures wherein functionality such as catalysis can be incorporated. We resolved the atomic structure of Ni-oxo species deposited in the MOF NU-1000 through atomic layer deposition using local and long-range structure probes, including X-ray absorption spectroscopy, pair distribution function analysis and difference envelope density analysis, with electron microscopy imaging and computational modeling.

Modelling of surface fluxes and Urban Boundary Layer over an old mediterannean city core

NASA Astrophysics Data System (ADS)

Lemonsu, A.; Masson, V.; Grimmond, Cs. B.

2003-04-01

In the frameworks of the UBL(Urban Boundary Layer)-ESCOMPTE campaign, the Town Energy Balance (TEB) model was run in off-line mode for Marseille. TEB's performance is evaluated with observations of surface temperatures and surface energy balance fluxes collected during the campaign. Parameterization improvements allow to better represent the energy exchanges between the air inside the canyon and the atmosphere above the roof level. Then, high resolution Méso-NH simulations are done to study the 3-D structure and the evolution of the Urban Boundary Layer (UBL) over Marseille. Will will give a special attention to the impact of the seabord effects (sea-breeze circulation) on the UBL.

From nucleation to coalescence of Cu2O islands during in situ oxidation of Cu(001)

NASA Astrophysics Data System (ADS)

Yang, J. C.; Evan, D.; Tropia, L.

2002-07-01

The nucleation, growth, and coalescence of Cu2O islands due to oxidation of Cu(001) films were visualized by in situ ultrahigh-vacuum transmission electron microscopy. We have previously demonstrated that the nucleation and initial growth of copper oxides is dominated by oxygen surface diffusion. These surface models have been extended to quantitatively represent the coalescence behavior of copper oxidation in the framework of the Johnson-Mehl-Avrami-Kolmogorov theory. An excellent agreement exists between the experimental data of nucleation to coalescence with the surface model. The implication could be an alternate paradigm for passivation and oxidation, since classic theories assume uniform film growth.

Using airborne geophysical surveys to improve groundwater resource management models

USGS Publications Warehouse

Abraham, Jared D.; Cannia, James C.; Peterson, Steven M.; Smith, Bruce D.; Minsley, Burke J.; Bedrosian, Paul A.

2010-01-01

Increasingly, groundwater management requires more accurate hydrogeologic frameworks for groundwater models. These complex issues have created the demand for innovative approaches to data collection. In complicated terrains, groundwater modelers benefit from continuous high‐resolution geologic maps and their related hydrogeologic‐parameter estimates. The USGS and its partners have collaborated to use airborne geophysical surveys for near‐continuous coverage of areas of the North Platte River valley in western Nebraska. The survey objectives were to map the aquifers and bedrock topography of the area to help improve the understanding of groundwater‐surface‐water relationships, leading to improved water management decisions. Frequency‐domain heliborne electromagnetic surveys were completed, using a unique survey design to collect resistivity data that can be related to lithologic information to refine groundwater model inputs. To render the geophysical data useful to multidimensional groundwater models, numerical inversion is necessary to convert the measured data into a depth‐dependent subsurface resistivity model. This inverted model, in conjunction with sensitivity analysis, geological ground truth (boreholes and surface geology maps), and geological interpretation, is used to characterize hydrogeologic features. Interpreted two‐ and three‐dimensional data coverage provides the groundwater modeler with a high‐resolution hydrogeologic framework and a quantitative estimate of framework uncertainty. This method of creating hydrogeologic frameworks improved the understanding of flow path orientation by redefining the location of the paleochannels and associated bedrock highs. The improved models reflect actual hydrogeology at a level of accuracy not achievable using previous data sets.

Multi-dimensional multi-species modeling of transient electrodeposition in LIGA microfabrication.

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

Evans, Gregory Herbert; Chen, Ken Shuang

2004-06-01

This report documents the efforts and accomplishments of the LIGA electrodeposition modeling project which was headed by the ASCI Materials and Physics Modeling Program. A multi-dimensional framework based on GOMA was developed for modeling time-dependent diffusion and migration of multiple charged species in a dilute electrolyte solution with reduction electro-chemical reactions on moving deposition surfaces. By combining the species mass conservation equations with the electroneutrality constraint, a Poisson equation that explicitly describes the electrolyte potential was derived. The set of coupled, nonlinear equations governing species transport, electric potential, velocity, hydrodynamic pressure, and mesh motion were solved in GOMA, using themore » finite-element method and a fully-coupled implicit solution scheme via Newton's method. By treating the finite-element mesh as a pseudo solid with an arbitrary Lagrangian-Eulerian formulation and by repeatedly performing re-meshing with CUBIT and re-mapping with MAPVAR, the moving deposition surfaces were tracked explicitly from start of deposition until the trenches were filled with metal, thus enabling the computation of local current densities that potentially influence the microstructure and frictional/mechanical properties of the deposit. The multi-dimensional, multi-species, transient computational framework was demonstrated in case studies of two-dimensional nickel electrodeposition in single and multiple trenches, without and with bath stirring or forced flow. Effects of buoyancy-induced convection on deposition were also investigated. To further illustrate its utility, the framework was employed to simulate deposition in microscreen-based LIGA molds. Lastly, future needs for modeling LIGA electrodeposition are discussed.« less

Data-Driven Haptic Modeling and Rendering of Viscoelastic and Frictional Responses of Deformable Objects.

PubMed

Yim, Sunghoon; Jeon, Seokhee; Choi, Seungmoon

2016-01-01

In this paper, we present an extended data-driven haptic rendering method capable of reproducing force responses during pushing and sliding interaction on a large surface area. The main part of the approach is a novel input variable set for the training of an interpolation model, which incorporates the position of a proxy - an imaginary contact point on the undeformed surface. This allows us to estimate friction in both sliding and sticking states in a unified framework. Estimating the proxy position is done in real-time based on simulation using a sliding yield surface - a surface defining a border between the sliding and sticking regions in the external force space. During modeling, the sliding yield surface is first identified via an automated palpation procedure. Then, through manual palpation on a target surface, input data and resultant force data are acquired. The data are used to build a radial basis interpolation model. During rendering, this input-output mapping interpolation model is used to estimate force responses in real-time in accordance with the interaction input. Physical performance evaluation demonstrates that our approach achieves reasonably high estimation accuracy. A user study also shows plausible perceptual realism under diverse and extensive exploration.

Surface functional groups in capacitive deionization with porous carbon electrodes

NASA Astrophysics Data System (ADS)

Hemmatifar, Ali; Oyarzun, Diego I.; Palko, James W.; Hawks, Steven A.; Stadermann, Michael; Santiago, Juan G.; Stanford Microfluidics Lab Team; Lawrence Livermore National Lab Team

2017-11-01

Capacitive deionization (CDI) is a promising technology for removal of toxic ions and salt from water. In CDI, an applied potential of about 1 V to pairs of porous electrodes (e.g. activated carbon) induces ion electromigration and electrostatic adsorption at electrode surfaces. Immobile surface functional groups play a critical role in the type and capacity of ion adsorption, and this can dramatically change desalination performance. We here use models and experiments to study weak electrolyte surface groups which protonate and/or depropotante based on their acid/base dissociation constants and local pore pH. Net chemical surface charge and differential capacitance can thus vary during CDI operation. In this work, we present a CDI model based on weak electrolyte acid/base equilibria theory. Our model incorporates preferential cation (anion) adsorption for activated carbon with acidic (basic) surface groups. We validated our model with experiments on custom built CDI cells with a variety of functionalizations. To this end, we varied electrolyte pH and measured adsorption of individual anionic and cationic ions using inductively coupled plasma mass spectrometry (ICP-MS) and ion chromatography (IC) techniques. Our model shows good agreement with experiments and provides a framework useful in the design of CDI control schemes.

Shape-driven 3D segmentation using spherical wavelets.

PubMed

Nain, Delphine; Haker, Steven; Bobick, Aaron; Tannenbaum, Allen

2006-01-01

This paper presents a novel active surface segmentation algorithm using a multiscale shape representation and prior. We define a parametric model of a surface using spherical wavelet functions and learn a prior probability distribution over the wavelet coefficients to model shape variations at different scales and spatial locations in a training set. Based on this representation, we derive a parametric active surface evolution using the multiscale prior coefficients as parameters for our optimization procedure to naturally include the prior in the segmentation framework. Additionally, the optimization method can be applied in a coarse-to-fine manner. We apply our algorithm to the segmentation of brain caudate nucleus, of interest in the study of schizophrenia. Our validation shows our algorithm is computationally efficient and outperforms the Active Shape Model algorithm by capturing finer shape details.

Modeling ECCD/MHD coupling using NIMROD, GENRAY, and the Integrated Plasma Simulator

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Schnack, D. D.; Sovinec, C. R.; Hegna, C. C.; Callen, J. D.; Ebrahimi, F.; Kruger, S. E.; Carlsson, J.; Held, E. D.; Ji, J.-Y.; Harvey, R. W.; Smirnov, A. P.; Elwasif, W. R.

2009-11-01

We summarize ongoing theoretical/numerical work relevant to the development of a self--consistent framework for the inclusion of RF effects in fluid simulations; specifically, we consider the stabilization of resistive tearing modes in tokamak geometry by electron cyclotron current drive. In the fluid equations, ad hoc models for the RF--induced currents have previously been shown to shrink or altogether suppress the nonlinearly saturated magnetic islands generated by tearing modes; progress toward a self--consistent model is reported. The interfacing of the NIMROD [1] code with the GENRAY/CQL3D [2] codes (which calculate RF propagation and energy/momentum deposition) via the Integrated Plasma Simulator (IPS) framework [3] is explained, RF-induced rational surface motion and the equilibration of RF--induced currents over plasma flux surfaces are investigated, and the efficient reduction of saturated island widths through time modulation and spatial localization of the ECCD is explored. [1] Sovinec et al., JCP 195, 355 (2004) [2]www.compxco.com [3] Both the IPS development and the research presented here are part of the SWIM project. Funded by U.S. DoE.

Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals model.

PubMed

Wahlberg, Nanna; Madsen, Anders Ø; Mikkelsen, Kurt V

2018-06-09

The nucleation processes of acetaminophen on poly(methyl methacrylate) and poly(vinyl acetate) have been investigated and the mechanisms of the processes are studied. This is achieved by a combination of theoretical models and computational investigations within the framework of a modified QM/MM method; a Coulomb-van der Waals model. We have combined quantum mechanical computations and electrostatic models at the atomistic level for investigating the stability of different orientations of acetaminophen on the polymer surfaces. Based on the Coulomb-van der Waals model, we have determined the most stable orientation to be a flat orientation, and the strongest interaction is seen between poly(vinyl acetate) and the molecule in a flat orientation in vacuum.

Three-dimensional finite element analysis of the application of attachment for obturator framework in unilateral maxillary defect.

PubMed

Sun, J; Jiao, T; Tie, Y; Wang, D-M

2008-09-01

The aim of this study was to evaluate the stress on the abutment teeth and framework ina unilateral maxillary defect which was restored by an obturator retained by resin-bonded extra coronal attachment. A three-dimensional finite element model of the human unilateral maxillary defect was constructed. Traditional obturator framework with four casting circumferential clasp was established (model 1). A continuous lingual guide plane of 0.5 mm thickness on all of the remaining teeth, with Mini-SG/F attachment on the mesial surface of the central incisor was also established (model 2). The modelling and analytical processes were performed using the ANSYS technologies. Stress was transmitted to the anterior part of the palate, with stress values being lower on the anterior teeth compared with the posteriors. The highest stress value of model 1 and model 2 was 13.1 Mpa, 19.9 Mpa respectively. Stress concentrations were found at the junction of the attachment to the lingual guide plane and the anterior part of the lingual plane. The results of this study suggest that the application of a resin-bonded extra coronal attachment for obturator retention is in accordance with the design principles for the restorative treatment of maxillary defects.The design of the attachment framework needs to be further investigated. Benefit can be gained by splinting the abutment teeth.

Statistical framework for evaluation of climate model simulations by use of climate proxy data from the last millennium - Part 1: Theory

NASA Astrophysics Data System (ADS)

Sundberg, R.; Moberg, A.; Hind, A.

2012-08-01

A statistical framework for comparing the output of ensemble simulations from global climate models with networks of climate proxy and instrumental records has been developed, focusing on near-surface temperatures for the last millennium. This framework includes the formulation of a joint statistical model for proxy data, instrumental data and simulation data, which is used to optimize a quadratic distance measure for ranking climate model simulations. An essential underlying assumption is that the simulations and the proxy/instrumental series have a shared component of variability that is due to temporal changes in external forcing, such as volcanic aerosol load, solar irradiance or greenhouse gas concentrations. Two statistical tests have been formulated. Firstly, a preliminary test establishes whether a significant temporal correlation exists between instrumental/proxy and simulation data. Secondly, the distance measure is expressed in the form of a test statistic of whether a forced simulation is closer to the instrumental/proxy series than unforced simulations. The proposed framework allows any number of proxy locations to be used jointly, with different seasons, record lengths and statistical precision. The goal is to objectively rank several competing climate model simulations (e.g. with alternative model parameterizations or alternative forcing histories) by means of their goodness of fit to the unobservable true past climate variations, as estimated from noisy proxy data and instrumental observations.

Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions

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

Nielsen, Jens; D’Avezac, Mayeul; Hetherington, James

2013-12-14

Ab initio kinetic Monte Carlo (KMC) simulations have been successfully applied for over two decades to elucidate the underlying physico-chemical phenomena on the surfaces of heterogeneous catalysts. These simulations necessitate detailed knowledge of the kinetics of elementary reactions constituting the reaction mechanism, and the energetics of the species participating in the chemistry. The information about the energetics is encoded in the formation energies of gas and surface-bound species, and the lateral interactions between adsorbates on the catalytic surface, which can be modeled at different levels of detail. The majority of previous works accounted for only pairwise-additive first nearest-neighbor interactions. Moremore » recently, cluster-expansion Hamiltonians incorporating long-range interactions and many-body terms have been used for detailed estimations of catalytic rate [C. Wu, D. J. Schmidt, C. Wolverton, and W. F. Schneider, J. Catal. 286, 88 (2012)]. In view of the increasing interest in accurate predictions of catalytic performance, there is a need for general-purpose KMC approaches incorporating detailed cluster expansion models for the adlayer energetics. We have addressed this need by building on the previously introduced graph-theoretical KMC framework, and we have developed Zacros, a FORTRAN2003 KMC package for simulating catalytic chemistries. To tackle the high computational cost in the presence of long-range interactions we introduce parallelization with OpenMP. We further benchmark our framework by simulating a KMC analogue of the NO oxidation system established by Schneider and co-workers [J. Catal. 286, 88 (2012)]. We show that taking into account only first nearest-neighbor interactions may lead to large errors in the prediction of the catalytic rate, whereas for accurate estimates thereof, one needs to include long-range terms in the cluster expansion.« less

Recent advances in 3D SEM surface reconstruction.

PubMed

Tafti, Ahmad P; Kirkpatrick, Andrew B; Alavi, Zahrasadat; Owen, Heather A; Yu, Zeyun

2015-11-01

The scanning electron microscope (SEM), as one of the most commonly used instruments in biology and material sciences, employs electrons instead of light to determine the surface properties of specimens. However, the SEM micrographs still remain 2D images. To effectively measure and visualize the surface attributes, we need to restore the 3D shape model from the SEM images. 3D surface reconstruction is a longstanding topic in microscopy vision as it offers quantitative and visual information for a variety of applications consisting medicine, pharmacology, chemistry, and mechanics. In this paper, we attempt to explain the expanding body of the work in this area, including a discussion of recent techniques and algorithms. With the present work, we also enhance the reliability, accuracy, and speed of 3D SEM surface reconstruction by designing and developing an optimized multi-view framework. We then consider several real-world experiments as well as synthetic data to examine the qualitative and quantitative attributes of our proposed framework. Furthermore, we present a taxonomy of 3D SEM surface reconstruction approaches and address several challenging issues as part of our future work. Copyright © 2015 Elsevier Ltd. All rights reserved.

Low-temperature scanning tunneling microscopy of ring-like surface electronic structures around Co islands on InAs(110) surfaces.

PubMed

Muzychenko, D A; Schouteden, K; Savinov, S V; Maslova, N S; Panov, V I; Van Haesendonck, C

2009-08-01

We report on the experimental observation by scanning tunneling microscopy at low temperature of ring-like features that appear around Co metal islands deposited on a clean (110) oriented surface of cleaved p-type InAs crystals. These features are visible in spectroscopic images within a certain range of negative tunneling bias voltages due to the presence of a negative differential conductance in the current-voltage dependence. A theoretical model is introduced, which takes into account non-equilibrium effects in the small tunneling junction area. In the framework of this model the appearance of the ring-like features is explained in terms of interference effects between electrons tunneling directly and indirectly (via a Co island) between the tip and the InAs surface.

Derivation of aerodynamic kernel functions

NASA Technical Reports Server (NTRS)

Dowell, E. H.; Ventres, C. S.

1973-01-01

The method of Fourier transforms is used to determine the kernel function which relates the pressure on a lifting surface to the prescribed downwash within the framework of Dowell's (1971) shear flow model. This model is intended to improve upon the potential flow aerodynamic model by allowing for the aerodynamic boundary layer effects neglected in the potential flow model. For simplicity, incompressible, steady flow is considered. The proposed method is illustrated by deriving known results from potential flow theory.

Computational Analyses of Pressurization in Cryogenic Tanks

NASA Technical Reports Server (NTRS)

Ahuja, Vineet; Hosangadi, Ashvin; Mattick, Stephen; Lee, Chun P.; Field, Robert E.; Ryan, Harry

2008-01-01

A) Advanced Gas/Liquid Framework with Real Fluids Property Routines: I. A multi-fluid formulation in the preconditioned CRUNCH CFD(Registered TradeMark) code developed where a mixture of liquid and gases can be specified: a) Various options for Equation of state specification available (from simplified ideal fluid mixtures, to real fluid EOS such as SRK or BWR models). b) Vaporization of liquids driven by pressure value relative to vapor pressure and combustion of vapors allowed. c) Extensive validation has been undertaken. II. Currently working on developing primary break-up models and surface tension effects for more rigorous phase-change modeling and interfacial dynamics B) Framework Applied to Run-time Tanks at Ground Test Facilities C) Framework Used For J-2 Upper Stage Tank Modeling: 1) NASA MSFC tank pressurization: a) Hydrogen and oxygen tank pre-press, repress and draining being modeled at NASA MSFC. 2) NASA AMES tank safety effort a) liquid hydrogen and oxygen are separated by a baffle in the J-2 tank. We are modeling pressure rise and possible combustion if a hole develops in the baffle and liquid hydrogen leaks into the oxygen tank. Tank pressure rise rates simulated and risk of combustion evaluated.

Atmospheric planetary wave response to external forcing

NASA Technical Reports Server (NTRS)

Stevens, D. E.; Reiter, E. R.

1985-01-01

The tools of observational analysis, complex general circulation modeling, and simpler modeling approaches were combined in order to attack problems on the largest spatial scales of the earth's atmosphere. Two different models were developed and applied. The first is a two level, global spectral model which was designed primarily to test the effects of north-south sea surface temperature anomaly (SSTA) gradients between the equatorial and midlatitude north Pacific. The model is nonlinear, contains both radiation and a moisture budget with associated precipitation and surface evaporation, and utilizes a linear balance dynamical framework. Supporting observational analysis of atmospheric planetary waves is briefly summarized. More extensive general circulation models have also been used to consider the problem of the atmosphere's response, especially in the horizontal propagation of planetary scale waves, to SSTA.

A theoretical and computational framework for mechanics of the cortex

NASA Astrophysics Data System (ADS)

Torres-SáNchez, Alejandro; Arroyo, Marino

The cell cortex is a thin network of actin filaments lying beneath the cell surface of animal cells. Myosin motors exert contractile forces in this network leading to active stresses, which play a key role in processes such as cytokinesis or cell migration. Thus, understanding the mechanics of the cortex is fundamental to understand the mechanics of animal cells. Due to the dynamic remodeling of the actin network, the cortex behaves as a viscoelastic fluid. Furthermore, due to the difference between its thickness (tens of nanometers) and its dimensions (tens of microns), the cortex can be regarded a surface. Thus, we can model the cortex as a viscoelastic fluid, confined to a surface, that generates active stresses. Interestingly, geometric confinement results in the coupling between shape generation and material flows. In this work we present a theoretical framework to model the mechanics of the cortex that couples elasticity, hydrodynamics and force generation. We complement our theoretical description with a computational setting to simulate the resulting non-linear equations. We use this methodology to understand different processes such as asymmetric cell division or experimental probing of the rheology of the cortex We acknowledge the support of the Europen Research Council through Grant ERC CoG-681434.

Comparison of stresses on homogeneous spheroids in the optical stretcher computed with geometrical optics and generalized Lorenz-Mie theory.

PubMed

Boyde, Lars; Ekpenyong, Andrew; Whyte, Graeme; Guck, Jochen

2012-11-20

We present two electromagnetic frameworks to compare the surface stresses on spheroidal particles in the optical stretcher (a dual-beam laser trap that can be used to capture and deform biological cells). The first model is based on geometrical optics (GO) and limited in its applicability to particles that are much greater than the incident wavelength. The second framework is more sophisticated and hinges on the generalized Lorenz-Mie theory (GLMT). Despite the difference in complexity between both theories, the stress profiles computed with GO and GLMT are in good agreement with each other (relative errors are on the order of 1-10%). Both models predict a diminishing of the stresses for larger wavelengths and a strong increase of the stresses for shorter laser-cell distances. Results indicate that surface stresses on a spheroid with an aspect ratio of 1.2 hardly differ from the stresses on a sphere of similar size. Knowledge of the surface stresses and whether or not they redistribute during the stretching process is of crucial importance in real-time applications of the stretcher that aim to discern the viscoelastic properties of cells for purposes of cell characterization, sorting, and medical diagnostics.

"Efficiency Space" - A Framework for Evaluating Joint Evaporation and Runoff Behavior

NASA Technical Reports Server (NTRS)

Koster, Randal

2014-01-01

At the land surface, higher soil moisture levels generally lead to both increased evaporation for a given amount of incoming radiation (increased evaporation efficiency) and increased runoff for a given amount of precipitation (increased runoff efficiency). Evaporation efficiency and runoff efficiency can thus be said to vary with each other, motivating the development of a unique hydroclimatic analysis framework. Using a simple water balance model fitted, in different experiments, with a wide variety of functional forms for evaporation and runoff efficiency, we transform net radiation and precipitation fields into fields of streamflow that can be directly evaluated against observations. The optimal combination of the functional forms the combination that produces the most skillful stream-flow simulations provides an indication for how evaporation and runoff efficiencies vary with each other in nature, a relationship that can be said to define the overall character of land surface hydrological processes, at least to first order. The inferred optimal relationship is represented herein as a curve in efficiency space and should be valuable for the evaluation and development of GCM-based land surface models, which by this measure are often found to be suboptimal.

Development of a Multicenter Density Functional Tight Binding Model for Plutonium Surface Hydriding.

PubMed

Goldman, Nir; Aradi, Bálint; Lindsey, Rebecca K; Fried, Laurence E

2018-05-08

We detail the creation of a multicenter density functional tight binding (DFTB) model for hydrogen on δ-plutonium, using a framework of new Slater-Koster interaction parameters and a repulsive energy based on the Chebyshev Interaction Model for Efficient Simulation (ChIMES), where two- and three-center atomic interactions are represented by linear combinations of Chebyshev polynomials. We find that our DFTB/ChIMES model yields a total electron density of states for bulk δ-Pu that compares well to that from Density Functional Theory, as well as to a grid of energy calculations representing approximate H 2 dissociation paths on the δ-Pu (100) surface. We then perform molecular dynamics simulations and minimum energy pathway calculations to determine the energetics of surface dissociation and subsurface diffusion on the (100) and (111) surfaces. Our approach allows for the efficient creation of multicenter repulsive energies with a relatively small investment in initial DFT calculations. Our efforts are particularly pertinent to studies that rely on quantum calculations for interpretation and validation, such as experimental determination of chemical reactivity both on surfaces and in condensed phases.

Assessment of Seasonal Water Balance Components over India Using Macroscale Hydrological Model

NASA Astrophysics Data System (ADS)

Joshi, S.; Raju, P. V.; Hakeem, K. A.; Rao, V. V.; Yadav, A.; Issac, A. M.; Diwakar, P. G.; Dadhwal, V. K.

2016-12-01

Hydrological models provide water balance components which are useful for water resources assessment and for capturing the seasonal changes and impact of anthropogenic interventions and climate change. The study under description is a national level modeling framework for country India using wide range of geo-spatial and hydro-meteorological data sets for estimating daily Water Balance Components (WBCs) at 0.15º grid resolution using Variable Infiltration Capacity model. The model parameters were optimized through calibration of model computed stream flow with field observed yielding Nash-Sutcliffe efficiency between 0.5 to 0.7. The state variables, evapotranspiration (ET) and soil moisture were also validated, obtaining R2 values of 0.57 and 0.69, respectively. Using long-term meteorological data sets, model computation were carried to capture hydrological extremities. During 2013, 2014 and 2015 monsoon seasons, WBCs were estimated and were published in web portal with 2-day time lag. In occurrence of disaster events, weather forecast was ingested, high surface runoff zones were identified for forewarning and disaster preparedness. Cumulative monsoon season rainfall of 2013, 2014 and 2015 were 105, 89 and 91% of long period average (LPA) respectively (Source: India Meteorological Department). Analysis of WBCs indicated that corresponding seasonal surface runoff was 116, 81 and 86% LPA and evapotranspiration was 109, 104 and 90% LPA. Using the grid-wise data, the spatial variation in WBCs among river basins/administrative regions was derived to capture the changes in surface runoff, ET between the years and in comparison with LPA. The model framework is operational and is providing periodic account of national level water balance fluxes which are useful for quantifying spatial and temporal variation in basin/sub-basin scale water resources, periodical water budgeting to form vital inputs for studies on water resources and climate change.

An algorithm for hyperspectral remote sensing of aerosols: 1. Development of theoretical framework

NASA Astrophysics Data System (ADS)

Hou, Weizhen; Wang, Jun; Xu, Xiaoguang; Reid, Jeffrey S.; Han, Dong

2016-07-01

This paper describes the first part of a series of investigations to develop algorithms for simultaneous retrieval of aerosol parameters and surface reflectance from a newly developed hyperspectral instrument, the GEOstationary Trace gas and Aerosol Sensor Optimization (GEO-TASO), by taking full advantage of available hyperspectral measurement information in the visible bands. We describe the theoretical framework of an inversion algorithm for the hyperspectral remote sensing of the aerosol optical properties, in which major principal components (PCs) for surface reflectance is assumed known, and the spectrally dependent aerosol refractive indices are assumed to follow a power-law approximation with four unknown parameters (two for real and two for imaginary part of refractive index). New capabilities for computing the Jacobians of four Stokes parameters of reflected solar radiation at the top of the atmosphere with respect to these unknown aerosol parameters and the weighting coefficients for each PC of surface reflectance are added into the UNified Linearized Vector Radiative Transfer Model (UNL-VRTM), which in turn facilitates the optimization in the inversion process. Theoretical derivations of the formulas for these new capabilities are provided, and the analytical solutions of Jacobians are validated against the finite-difference calculations with relative error less than 0.2%. Finally, self-consistency check of the inversion algorithm is conducted for the idealized green-vegetation and rangeland surfaces that were spectrally characterized by the U.S. Geological Survey digital spectral library. It shows that the first six PCs can yield the reconstruction of spectral surface reflectance with errors less than 1%. Assuming that aerosol properties can be accurately characterized, the inversion yields a retrieval of hyperspectral surface reflectance with an uncertainty of 2% (and root-mean-square error of less than 0.003), which suggests self-consistency in the inversion framework. The next step of using this framework to study the aerosol information content in GEO-TASO measurements is also discussed.

Gravity changes, soil moisture and data assimilation

NASA Astrophysics Data System (ADS)

Walker, J.; Grayson, R.; Rodell, M.; Ellet, K.

2003-04-01

Remote sensing holds promise for near-surface soil moisture and snow mapping, but current techniques do not directly resolve the deeper soil moisture or groundwater. The benefits that would arise from improved monitoring of variations in terrestrial water storage are numerous. The year 2002 saw the launch of NASA's Gravity Recovery And Climate Experiment (GRACE) satellites, which are mapping the Earth's gravity field at such a high level of precision that we expect to be able to infer changes in terrestrial water storage (soil moisture, groundwater, snow, ice, lake, river and vegetation). The project described here has three distinct yet inter-linked components that all leverage off the same ground-based monitoring and land surface modelling framework. These components are: (i) field validation of a relationship between soil moisture and changes in the Earth's gravity field, from ground- and satellite-based measurements of changes in gravity; (ii) development of a modelling framework for the assimilation of gravity data to constrain land surface model predictions of soil moisture content (such a framework enables the downscaling and disaggregation of low spatial (500 km) and temporal (monthly) resolution measurements of gravity change to finer spatial and temporal resolutions); and (iii) further refining the downscaling and disaggregation of space-borne gravity measurements by making use of other remotely sensed information, such as the higher spatial (25 km) and temporal (daily) resolution remotely sensed near-surface soil moisture measurements from the Advanced Microwave Scanning Radiometer (AMSR) instruments on Aqua and ADEOS II. The important field work required by this project will be in the Murrumbidgee Catchment, Australia, where an extensive soil moisture monitoring program by the University of Melbourne is already in place. We will further enhance the current monitoring network by the addition of groundwater wells and additional soil moisture sites. Ground-based gravity measurements will also be made on a monthly basis at each monitoring site. There will be two levels of modelling and monitoring; regional across the entire Murrumbidgee Catchment (100,000 km2), and local across a small sub-catchment (150 km2).

Active shape models incorporating isolated landmarks for medical image annotation

NASA Astrophysics Data System (ADS)

Norajitra, Tobias; Meinzer, Hans-Peter; Stieltjes, Bram; Maier-Hein, Klaus H.

2014-03-01

Apart from their robustness in anatomic surface segmentation, purely surface based 3D Active Shape Models lack the ability to automatically detect and annotate non-surface key points of interest. However, annotation of anatomic landmarks is desirable, as it yields additional anatomic and functional information. Moreover, landmark detection might help to further improve accuracy during ASM segmentation. We present an extension of surface-based 3D Active Shape Models incorporating isolated non-surface landmarks. Positions of isolated and surface landmarks are modeled conjoint within a point distribution model (PDM). Isolated landmark appearance is described by a set of haar-like features, supporting local landmark detection on the PDM estimates using a kNN-Classi er. Landmark detection was evaluated in a leave-one-out cross validation on a reference dataset comprising 45 CT volumes of the human liver after shape space projection. Depending on the anatomical landmark to be detected, our experiments have shown in about 1/4 up to more than 1/2 of all test cases a signi cant improvement in detection accuracy compared to the position estimates delivered by the PDM. Our results encourage further research with regard to the combination of shape priors and machine learning for landmark detection within the Active Shape Model Framework.

Magnetic flux transport and the sun's dipole moment - New twists to the Babcock-Leighton model

NASA Technical Reports Server (NTRS)

Wang, Y.-M.; Sheeley, N. R., Jr.

1991-01-01

The mechanisms that give rise to the sun's large-scale poloidal magnetic field are explored in the framework of the Babcock-Leighton (BL) model. It is shown that there are in general two quite distinct contributions to the generation of the 'alpha effect': the first is associated with the axial tilts of the bipolar magnetic regions as they erupt at the surface, while the second arises through the interaction between diffusion and flow as the magnetic flux is dispersed over the surface. The general relationship between flux transport and the BL dynamo is discussed.

Magnetic flux transport and the sun's dipole moment - New twists to the Babcock-Leighton model

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

Wang, Y.-M.; Sheeley, N.R., Jr.

The mechanisms that give rise to the sun's large-scale poloidal magnetic field are explored in the framework of the Babcock-Leighton (BL) model. It is shown that there are in general two quite distinct contributions to the generation of the 'alpha effect': the first is associated with the axial tilts of the bipolar magnetic regions as they erupt at the surface, while the second arises through the interaction between diffusion and flow as the magnetic flux is dispersed over the surface. The general relationship between flux transport and the BL dynamo is discussed. 32 refs.

pyBadlands: A framework to simulate sediment transport, landscape dynamics and basin stratigraphic evolution through space and time

PubMed Central

2018-01-01

Understanding Earth surface responses in terms of sediment dynamics to climatic variability and tectonics forcing is hindered by limited ability of current models to simulate long-term evolution of sediment transfer and associated morphological changes. This paper presents pyBadlands, an open-source python-based framework which computes over geological time (1) sediment transport from landmasses to coasts, (2) reworking of marine sediments by longshore currents and (3) development of coral reef systems. pyBadlands is cross-platform, distributed under the GPLv3 license and available on GitHub (http://github.com/badlands-model). Here, we describe the underlying physical assumptions behind the simulated processes and the main options already available in the numerical framework. Along with the source code, a list of hands-on examples is provided that illustrates the model capabilities. In addition, pre and post-processing classes have been built and are accessible as a companion toolbox which comprises a series of workflows to efficiently build, quantify and explore simulation input and output files. While the framework has been primarily designed for research, its simplicity of use and portability makes it a great tool for teaching purposes. PMID:29649301

A new framework for comprehensive, robust, and efficient global sensitivity analysis: 1. Theory

NASA Astrophysics Data System (ADS)

Razavi, Saman; Gupta, Hoshin V.

2016-01-01

Computer simulation models are continually growing in complexity with increasingly more factors to be identified. Sensitivity Analysis (SA) provides an essential means for understanding the role and importance of these factors in producing model responses. However, conventional approaches to SA suffer from (1) an ambiguous characterization of sensitivity, and (2) poor computational efficiency, particularly as the problem dimension grows. Here, we present a new and general sensitivity analysis framework (called VARS), based on an analogy to "variogram analysis," that provides an intuitive and comprehensive characterization of sensitivity across the full spectrum of scales in the factor space. We prove, theoretically, that Morris (derivative-based) and Sobol (variance-based) methods and their extensions are special cases of VARS, and that their SA indices can be computed as by-products of the VARS framework. Synthetic functions that resemble actual model response surfaces are used to illustrate the concepts, and show VARS to be as much as two orders of magnitude more computationally efficient than the state-of-the-art Sobol approach. In a companion paper, we propose a practical implementation strategy, and demonstrate the effectiveness, efficiency, and reliability (robustness) of the VARS framework on real-data case studies.

Dynamics of sea level rise and coastal flooding on a changing landscape

NASA Astrophysics Data System (ADS)

Bilskie, M. V.; Hagen, S. C.; Medeiros, S. C.; Passeri, D. L.

2014-02-01

Standard approaches to determining the impacts of sea level rise (SLR) on storm surge flooding employ numerical models reflecting present conditions with modified sea states for a given SLR scenario. In this study, we advance this paradigm by adjusting the model framework so that it reflects not only a change in sea state but also variations to the landscape (morphologic changes and urbanization of coastal cities). We utilize a numerical model of the Mississippi and Alabama coast to simulate the response of hurricane storm surge to changes in sea level, land use/land cover, and land surface elevation for past (1960), present (2005), and future (2050) conditions. The results show that the storm surge response to SLR is dynamic and sensitive to changes in the landscape. We introduce a new modeling framework that includes modification of the landscape when producing storm surge models for future conditions.

Nonlinear and Dissipation Characteristics of Ocean Surface Waves in Estuarine Environments

DTIC Science & Technology

2013-09-30

developed models while using the general framework of operational wave models. We will conduct robustness tests of the system to determine the...and Guza (1984) model is weakly dispersive, in line with the assumptions behind the Boussinesq equations from which it was derived. The Kaihatu and...interactions across both frequency and directions. This system of equations is solved over a 2D frequency (f) and shore parallel wave number (κ) space. The

Subject-specific longitudinal shape analysis by coupling spatiotemporal shape modeling with medial analysis

NASA Astrophysics Data System (ADS)

Hong, Sungmin; Fishbaugh, James; Rezanejad, Morteza; Siddiqi, Kaleem; Johnson, Hans; Paulsen, Jane; Kim, Eun Young; Gerig, Guido

2017-02-01

Modeling subject-specific shape change is one of the most important challenges in longitudinal shape analysis of disease progression. Whereas anatomical change over time can be a function of normal aging, anatomy can also be impacted by disease related degeneration. Anatomical shape change may also be affected by structural changes from neighboring shapes, which may cause non-linear variations in pose. In this paper, we propose a framework to analyze disease related shape changes by coupling extrinsic modeling of the ambient anatomical space via spatiotemporal deformations with intrinsic shape properties from medial surface analysis. We compare intrinsic shape properties of a subject-specific shape trajectory to a normative 4D shape atlas representing normal aging to isolate shape changes related to disease. The spatiotemporal shape modeling establishes inter/intra subject anatomical correspondence, which in turn enables comparisons between subjects and the 4D shape atlas, and also quantitative analysis of disease related shape change. The medial surface analysis captures intrinsic shape properties related to local patterns of deformation. The proposed framework jointly models extrinsic longitudinal shape changes in the ambient anatomical space, as well as intrinsic shape properties to give localized measurements of degeneration. Six high risk subjects and six controls are randomly sampled from a Huntington's disease image database for qualitative and quantitative comparison.

A framework for human-hydrologic system model development integrating hydrology and water management: application to the Cutzamala water system in Mexico

NASA Astrophysics Data System (ADS)

Wi, S.; Freeman, S.; Brown, C.

2017-12-01

This study presents a general approach to developing computational models of human-hydrologic systems where human modification of hydrologic surface processes are significant or dominant. A river basin system is represented by a network of human-hydrologic response units (HHRUs) identified based on locations where river regulations happen (e.g., reservoir operation and diversions). Natural and human processes in HHRUs are simulated in a holistic framework that integrates component models representing rainfall-runoff, river routing, reservoir operation, flow diversion and water use processes. We illustrate the approach in a case study of the Cutzamala water system (CWS) in Mexico, a complex inter-basin water transfer system supplying the Mexico City Metropolitan Area (MCMA). The human-hydrologic system model for CWS (CUTZSIM) is evaluated in terms of streamflow and reservoir storages measured across the CWS and to water supplied for MCMA. The CUTZSIM improves the representation of hydrology and river-operation interaction and, in so doing, advances evaluation of system-wide water management consequences under altered climatic and demand regimes. The integrated modeling framework enables evaluation and simulation of model errors throughout the river basin, including errors in representation of the human component processes. Heretofore, model error evaluation, predictive error intervals and the resultant improved understanding have been limited to hydrologic processes. The general framework represents an initial step towards fuller understanding and prediction of the many and varied processes that determine the hydrologic fluxes and state variables in real river basins.

3D Reconstruction of Space Objects from Multi-Views by a Visible Sensor

PubMed Central

Zhang, Haopeng; Wei, Quanmao; Jiang, Zhiguo

2017-01-01

In this paper, a novel 3D reconstruction framework is proposed to recover the 3D structural model of a space object from its multi-view images captured by a visible sensor. Given an image sequence, this framework first estimates the relative camera poses and recovers the depths of the surface points by the structure from motion (SFM) method, then the patch-based multi-view stereo (PMVS) algorithm is utilized to generate a dense 3D point cloud. To resolve the wrong matches arising from the symmetric structure and repeated textures of space objects, a new strategy is introduced, in which images are added to SFM in imaging order. Meanwhile, a refining process exploiting the structural prior knowledge that most sub-components of artificial space objects are composed of basic geometric shapes is proposed and applied to the recovered point cloud. The proposed reconstruction framework is tested on both simulated image datasets and real image datasets. Experimental results illustrate that the recovered point cloud models of space objects are accurate and have a complete coverage of the surface. Moreover, outliers and points with severe noise are effectively filtered out by the refinement, resulting in an distinct improvement of the structure and visualization of the recovered points. PMID:28737675

A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films

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

Jamshidian, M., E-mail: jamshidian@cc.iut.ac.ir; Institute of Structural Mechanics, Bauhaus-University Weimar, Marienstrasse 15, 99423 Weimar; Thamburaja, P., E-mail: prakash.thamburaja@gmail.com

A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substratemore » and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms. - Graphical abstract: - Highlights: • Developing a theory for stressed grain growth in polycrystalline thin films. • Implementation into a multiscale coupled finite-element and phase-field framework. • Quantitative reproduction of the experimental grain growth data by simulations. • Revealing the cause of texture transition to be due to the stagnation mechanisms.« less

Modeling the free energy surfaces of electron transfer in condensed phases

NASA Astrophysics Data System (ADS)

Matyushov, Dmitry V.; Voth, Gregory A.

2000-10-01

We develop a three-parameter model of electron transfer (ET) in condensed phases based on the Hamiltonian of a two-state solute linearly coupled to a harmonic, classical solvent mode with different force constants in the initial and final states (a classical limit of the quantum Kubo-Toyozawa model). The exact analytical solution for the ET free energy surfaces demonstrates the following features: (i) the range of ET reaction coordinates is limited by a one-sided fluctuation band, (ii) the ET free energies are infinite outside the band, and (iii) the free energy surfaces are parabolic close to their minima and linear far from the minima positions. The model provides an analytical framework to map physical phenomena conflicting with the Marcus-Hush two-parameter model of ET. Nonlinear solvation, ET in polarizable charge-transfer complexes, and configurational flexibility of donor-acceptor complexes are successfully mapped onto the model. The present theory leads to a significant modification of the energy gap law for ET reactions.

Current Development Status of an Integrated Tool for Modeling Quasi-static Deformation in the Solid Earth

NASA Astrophysics Data System (ADS)

Williams, C. A.; Dicaprio, C.; Simons, M.

2003-12-01

With the advent of projects such as the Plate Boundary Observatory and future InSAR missions, spatially dense geodetic data of high quality will provide an increasingly detailed picture of the movement of the earth's surface. To interpret such information, powerful and easily accessible modeling tools are required. We are presently developing such a tool that we feel will meet many of the needs for evaluating quasi-static earth deformation. As a starting point, we begin with a modified version of the finite element code TECTON, which has been specifically designed to solve tectonic problems involving faulting and viscoelastic/plastic earth behavior. As our first priority, we are integrating the code into the GeoFramework, which is an extension of the Python-based Pyre modeling framework. The goal of this framework is to provide simplified user interfaces for powerful modeling codes, to provide easy access to utilities such as meshers and visualization tools, and to provide a tight integration between different modeling tools so they can interact with each other. The initial integration of the code into this framework is essentially complete, and a more thorough integration, where Python-based drivers control the entire solution, will be completed in the near future. We have an evolving set of priorities that we expect to solidify as we receive more input from the modeling community. Current priorities include the development of linear and quadratic tetrahedral elements, the development of a parallelized version of the code using the PETSc libraries, the addition of more complex rheologies, realistic fault friction models, adaptive time stepping, and spherical geometries. In this presentation we describe current progress toward our various priorities, briefly describe the structure of the code within the GeoFramework, and demonstrate some sample applications.

Plant-derived Secondary Organic Material in the Air and Ecosystems.

PubMed

Holopainen, J K; Kivimäenpää, M; Nizkorodov, S A

2017-09-01

Biogenic secondary organic aerosol (SOA) and deposited secondary organic material (SOM) are formed by oxidation of volatile organic compounds (VOCs) emitted by plants. Many SOA compounds have much longer chemical lifetimes than the original VOC, and may accumulate on plant surfaces and in soil as SOM because of their low volatility. This suggests that they may have important and presently unrecognized roles in plant adaptation. Using reactive plant terpenoids as a model we propose a three-tier (atmosphere-vegetation-soil) framework to better understand the ecological and evolutionary functions of SOM. In this framework, SOA in the atmosphere is known to affect solar radiation, SOM on the plant surfaces influences the interactive organisms, and wet and dry deposition of SOM on soil affects soil organisms. Copyright © 2017 Elsevier Ltd. All rights reserved.

Creating "Intelligent" Climate Model Ensemble Averages Using a Process-Based Framework

NASA Astrophysics Data System (ADS)

Baker, N. C.; Taylor, P. C.

2014-12-01

The CMIP5 archive contains future climate projections from over 50 models provided by dozens of modeling centers from around the world. Individual model projections, however, are subject to biases created by structural model uncertainties. As a result, ensemble averaging of multiple models is often used to add value to model projections: consensus projections have been shown to consistently outperform individual models. Previous reports for the IPCC establish climate change projections based on an equal-weighted average of all model projections. However, certain models reproduce climate processes better than other models. Should models be weighted based on performance? Unequal ensemble averages have previously been constructed using a variety of mean state metrics. What metrics are most relevant for constraining future climate projections? This project develops a framework for systematically testing metrics in models to identify optimal metrics for unequal weighting multi-model ensembles. A unique aspect of this project is the construction and testing of climate process-based model evaluation metrics. A climate process-based metric is defined as a metric based on the relationship between two physically related climate variables—e.g., outgoing longwave radiation and surface temperature. Metrics are constructed using high-quality Earth radiation budget data from NASA's Clouds and Earth's Radiant Energy System (CERES) instrument and surface temperature data sets. It is found that regional values of tested quantities can vary significantly when comparing weighted and unweighted model ensembles. For example, one tested metric weights the ensemble by how well models reproduce the time-series probability distribution of the cloud forcing component of reflected shortwave radiation. The weighted ensemble for this metric indicates lower simulated precipitation (up to .7 mm/day) in tropical regions than the unweighted ensemble: since CMIP5 models have been shown to overproduce precipitation, this result could indicate that the metric is effective in identifying models which simulate more realistic precipitation. Ultimately, the goal of the framework is to identify performance metrics for advising better methods for ensemble averaging models and create better climate predictions.

Ribbon networks for modeling navigable paths of autonomous agents in virtual environments.

PubMed

Willemsen, Peter; Kearney, Joseph K; Wang, Hongling

2006-01-01

This paper presents the Environment Description Framework (EDF) for modeling complex networks of intersecting roads and pathways in virtual environments. EDF represents information about the layout of streets and sidewalks, the rules that govern behavior on roads and walkways, and the locations of agents with respect to navigable structures. The framework serves as the substrate on which behavior programs for autonomous vehicles and pedestrians are built. Pathways are modeled as ribbons in space. The ribbon structure provides a natural coordinate frame for defining the local geometry of navigable surfaces. EDF includes a powerful runtime interface supported by robust and efficient code for locating objects on the ribbon network, for mapping between Cartesian and ribbon coordinates, and for determining behavioral constraints imposed by the environment.

Modeling Learning Processes in Lexical CALL.

ERIC Educational Resources Information Center

Goodfellow, Robin; Laurillard, Diana

1994-01-01

Studies the performance of a novice Spanish student using a Computer-assisted language learning (CALL) system designed for vocabulary enlargement. Results indicate that introspective evidence may be used to validate performance data within a theoretical framework that characterizes the learning approach as "surface" or "deep." (25 references)…

Land Surface Model Biases and their Impacts on the Assimilation of Snow-related Observations

NASA Astrophysics Data System (ADS)

Arsenault, K. R.; Kumar, S.; Hunter, S. M.; Aman, R.; Houser, P. R.; Toll, D.; Engman, T.; Nigro, J.

2007-12-01

Some recent snow modeling studies have employed a wide range of assimilation methods to incorporate snow cover or other snow-related observations into different hydrological or land surface models. These methods often include taking both model and observation biases into account throughout the model integration. This study focuses more on diagnosing the model biases and presenting their subsequent impacts on assimilating snow observations and modeled snowmelt processes. In this study, the land surface model, the Community Land Model (CLM), is used within the Land Information System (LIS) modeling framework to show how such biases impact the assimilation of MODIS snow cover observations. Alternative in-situ and satellite-based observations are used to help guide the CLM LSM in better predicting snowpack conditions and more realistic timing of snowmelt for a western US mountainous region. Also, MODIS snow cover observation biases will be discussed, and validation results will be provided. The issues faced with inserting or assimilating MODIS snow cover at moderate spatial resolutions (like 1km or less) will be addressed, and the impacts on CLM will be presented.

Shape-Driven 3D Segmentation Using Spherical Wavelets

PubMed Central

Nain, Delphine; Haker, Steven; Bobick, Aaron; Tannenbaum, Allen

2013-01-01

This paper presents a novel active surface segmentation algorithm using a multiscale shape representation and prior. We define a parametric model of a surface using spherical wavelet functions and learn a prior probability distribution over the wavelet coefficients to model shape variations at different scales and spatial locations in a training set. Based on this representation, we derive a parametric active surface evolution using the multiscale prior coefficients as parameters for our optimization procedure to naturally include the prior in the segmentation framework. Additionally, the optimization method can be applied in a coarse-to-fine manner. We apply our algorithm to the segmentation of brain caudate nucleus, of interest in the study of schizophrenia. Our validation shows our algorithm is computationally efficient and outperforms the Active Shape Model algorithm by capturing finer shape details. PMID:17354875

Thin film modeling of crystal dissolution and growth in confinement.

PubMed

Gagliardi, Luca; Pierre-Louis, Olivier

2018-01-01

We present a continuum model describing dissolution and growth of a crystal contact confined against a substrate. Diffusion and hydrodynamics in the liquid film separating the crystal and the substrate are modeled within the lubrication approximation. The model also accounts for the disjoining pressure and surface tension. Within this framework, we obtain evolution equations which govern the nonequilibrium dynamics of the crystal interface. Based on this model, we explore the problem of dissolution under an external load, known as pressure solution. We find that in steady state, diverging (power-law) crystal-surface repulsions lead to flat contacts with a monotonic increase of the dissolution rate as a function of the load. Forces induced by viscous dissipation then surpass those due to disjoining pressure at large enough loads. In contrast, finite repulsions (exponential) lead to sharp pointy contacts with a dissolution rate independent of the load and the liquid viscosity. Ultimately, in steady state, the crystal never touches the substrate when pressed against it. This result is independent from the nature of the crystal-surface interaction due to the combined effects of viscosity and surface tension.

Thin film modeling of crystal dissolution and growth in confinement

NASA Astrophysics Data System (ADS)

Gagliardi, Luca; Pierre-Louis, Olivier

2018-01-01

We present a continuum model describing dissolution and growth of a crystal contact confined against a substrate. Diffusion and hydrodynamics in the liquid film separating the crystal and the substrate are modeled within the lubrication approximation. The model also accounts for the disjoining pressure and surface tension. Within this framework, we obtain evolution equations which govern the nonequilibrium dynamics of the crystal interface. Based on this model, we explore the problem of dissolution under an external load, known as pressure solution. We find that in steady state, diverging (power-law) crystal-surface repulsions lead to flat contacts with a monotonic increase of the dissolution rate as a function of the load. Forces induced by viscous dissipation then surpass those due to disjoining pressure at large enough loads. In contrast, finite repulsions (exponential) lead to sharp pointy contacts with a dissolution rate independent of the load and the liquid viscosity. Ultimately, in steady state, the crystal never touches the substrate when pressed against it. This result is independent from the nature of the crystal-surface interaction due to the combined effects of viscosity and surface tension.

Heinrich events modeled in transient glacial simulations

NASA Astrophysics Data System (ADS)

Ziemen, Florian; Kapsch, Marie; Mikolajewicz, Uwe

2017-04-01

Heinrich events are among the most prominent events of climate variability recorded in proxies across the northern hemisphere. They are the archetype of ice sheet — climate interactions on millennial time scales. Nevertheless, the exact mechanisms that cause Heinrich events are still under debate, and their climatic consequences are far from being fully understood. We address open questions by studying Heinrich events in a coupled ice sheet model (ISM) atmosphere-ocean-vegetation general circulation model (AOVGCM) framework, where this variability occurs as part of the model generated internal variability. The framework consists of a northern hemisphere setup of the modified Parallel Ice Sheet Model (mPISM) coupled to the global AOVGCM ECHAM5/MPIOM/LPJ. The simulations were performed fully coupled and with transient orbital and greenhouse gas forcing. They span from several millennia before the last glacial maximum into the deglaciation. To make these long simulations feasible, the atmosphere is accelerated by a factor of 10 relative to the other model components using a periodical-synchronous coupling technique. To disentangle effects of the Heinrich events and the deglaciation, we focus on the events occurring before the deglaciation. The modeled Heinrich events show a peak ice discharge of about 0.05 Sv and raise the sea level by 2.3 m on average. The resulting surface water freshening reduces the Atlantic meridional overturning circulation and ocean heat release. The reduction in ocean heat release causes a sub-surface warming and decreases the air temperature and precipitation regionally and downstream into Eurasia. The surface elevation decrease of the ice sheet enhances moisture transport onto the ice sheet and thus increases precipitation over the Hudson Bay area, thereby accelerating the recovery after an event.

A metadata reporting framework for standardization and synthesis of ecohydrological field observations

NASA Astrophysics Data System (ADS)

Christianson, D. S.; Varadharajan, C.; Detto, M.; Faybishenko, B.; Gimenez, B.; Jardine, K.; Negron Juarez, R. I.; Pastorello, G.; Powell, T.; Warren, J.; Wolfe, B.; McDowell, N. G.; Kueppers, L. M.; Chambers, J.; Agarwal, D.

2016-12-01

The U.S. Department of Energy's (DOE) Next Generation Ecosystem Experiment (NGEE) Tropics project aims to develop a process-rich tropical forest ecosystem model that is parameterized and benchmarked by field observations. Thus, data synthesis, quality assurance and quality control (QA/QC), and data product generation of a diverse and complex set of ecohydrological observations, including sapflux, leaf surface temperature, soil water content, and leaf gas exchange from sites across the Tropics, are required to support model simulations. We have developed a metadata reporting framework, implemented in conjunction with the NGEE Tropics Data Archive tool, to enable cross-site and cross-method comparison, data interpretability, and QA/QC. We employed a modified User-Centered Design approach, which involved short development cycles based on user-identified needs, and iterative testing with data providers and users. The metadata reporting framework currently has been implemented for sensor-based observations and leverages several existing metadata protocols. The framework consists of templates that define a multi-scale measurement position hierarchy, descriptions of measurement settings, and details about data collection and data file organization. The framework also enables data providers to define data-access permission settings, provenance, and referencing to enable appropriate data usage, citation, and attribution. In addition to describing the metadata reporting framework, we discuss tradeoffs and impressions from both data providers and users during the development process, focusing on the scalability, usability, and efficiency of the framework.

Addressing numerical challenges in introducing a reactive transport code into a land surface model: A biogeochemical modeling proof-of-concept with CLM-PFLOTRAN 1.0: Modeling Archive

DOE Data Explorer

Tang, G.; Andre, B.; Hoffman, F. M.; Painter, S. L.; Thornton, P. E.; Yuan, F.; Bisht, G.; Hammond, G. E.; Lichtner, P. C.; Kumar, J.; Mills, R. T.; Xu, X.

2016-04-19

This Modeling Archive is in support of an NGEE Arctic discussion paper under review and available at doi:10.5194/gmd-9-927-2016. The purpose is to document the simulations to allow verification, reproducibility, and follow-up studies. This dataset contains shell scripts to create the CLM-PFLOTRAN cases, specific input files for PFLOTRAN and CLM, outputs, and python scripts to make the figures using the outputs in the publication. Through these results, we demonstrate that CLM-PFLOTRAN can approximately reproduce CLM results in selected cases for the Arctic, temperate and tropic sites. In addition, the new framework facilitates mechanistic representations of soil biogeochemistry processes in the land surface model.

Testing the Accuracy of Data-driven MHD Simulations of Active Region Evolution and Eruption

NASA Astrophysics Data System (ADS)

Leake, J. E.; Linton, M.; Schuck, P. W.

2017-12-01

Models for the evolution of the solar coronal magnetic field are vital for understanding solar activity, yet the best measurements of the magnetic field lie at the photosphere, necessitating the recent development of coronal models which are "data-driven" at the photosphere. Using magnetohydrodynamic simulations of active region formation and our recently created validation framework we investigate the source of errors in data-driven models that use surface measurements of the magnetic field, and derived MHD quantities, to model the coronal magnetic field. The primary sources of errors in these studies are the temporal and spatial resolution of the surface measurements. We will discuss the implications of theses studies for accurately modeling the build up and release of coronal magnetic energy based on photospheric magnetic field observations.

Surface self-organization: From wear to self-healing in biological and technical surfaces

NASA Astrophysics Data System (ADS)

Nosonovsky, Michael; Bhushan, Bharat

2010-04-01

Wear occurs at most solid surfaces that come in contact with other solid surfaces. While biological surfaces and tissues usually have the ability for self-healing, engineered self-healing materials only started to emerge recently. These materials are currently created using the trial-and-error approach and phenomenological models, so there is a need of a general first-principles theory of self-healing. We discuss the conditions under which the self-healing occurs and provide a general theoretical framework and criteria for self-healing using the concept of multiscale organization of entropy and non-equilibrium thermodynamics. The example of epicuticular wax regeneration of plant leaves is discussed as a case study.

Identification of a constitutive law for trabecular bone samples under remodeling in the framework of irreversible thermodynamics

NASA Astrophysics Data System (ADS)

Louna, Zineeddine; Goda, Ibrahim; Ganghoffer, Jean-François

2018-01-01

We construct in the present paper constitutive models for bone remodeling based on micromechanical analyses at the scale of a representative unit cell (RUC) including a porous trabecular microstructure. The time evolution of the microstructure is simulated as a surface remodeling process by relating the surface growth remodeling velocity to a surface driving force incorporating a (surface) Eshelby tensor. Adopting the framework of irreversible thermodynamics, a 2D constitutive model based on the setting up of the free energy density and a dissipation potential is identified from FE simulations performed over a unit cell representative of the trabecular architecture obtained from real bone microstructures. The static and evolutive effective properties of bone at the scale of the RUC are obtained by combining a methodology for the evaluation of the average kinematic and static variables over a prototype unit cell and numerical simulations with controlled imposed first gradient rates. The formulated effective growth constitutive law at the scale of the homogenized set of trabeculae within the RUC is of viscoplastic type and relates the average growth strain rate to the homogenized stress tensor. The postulated model includes a power law function of an effective stress chosen to depend on the first and second stress invariants. The model coefficients are calibrated from a set of virtual testing performed over the RUC subjected to a sequence of loadings. Numerical simulations show that overall bone growth does not show any growth kinematic hardening. The obtained results quantify the strength and importance of different types of external loads (uniaxial tension, simple shear, and biaxial loading) on the overall remodeling process and the development of elastic deformations within the RUC.

Smart Frameworks and Self-Describing Models: Model Metadata for Automated Coupling of Hydrologic Process Components (Invited)

NASA Astrophysics Data System (ADS)

Peckham, S. D.

2013-12-01

Model coupling frameworks like CSDMS (Community Surface Dynamics Modeling System) and ESMF (Earth System Modeling Framework) have developed mechanisms that allow heterogeneous sets of process models to be assembled in a plug-and-play manner to create composite "system models". These mechanisms facilitate code reuse, but must simultaneously satisfy many different design criteria. They must be able to mediate or compensate for differences between the process models, such as their different programming languages, computational grids, time-stepping schemes, variable names and variable units. However, they must achieve this interoperability in a way that: (1) is noninvasive, requiring only relatively small and isolated changes to the original source code, (2) does not significantly reduce performance, (3) is not time-consuming or confusing for a model developer to implement, (4) can very easily be updated to accommodate new versions of a given process model and (5) does not shift the burden of providing model interoperability to the model developers, e.g. by requiring them to provide their output in specific forms that meet the input requirements of other models. In tackling these design challenges, model framework developers have learned that the best solution is to provide each model with a simple, standardized interface, i.e. a set of standardized functions that make the model: (1) fully-controllable by a caller (e.g. a model framework) and (2) self-describing. Model control functions are separate functions that allow a caller to initialize the model, advance the model's state variables in time and finalize the model. Model description functions allow a caller to retrieve detailed information on the model's input and output variables, its computational grid and its timestepping scheme. If the caller is a modeling framework, it can compare the answers to these queries with similar answers from other process models in a collection and then automatically call framework service components as necessary to mediate the differences between the coupled models. This talk will first review two key products of the CSDMS project, namely a standardized model interface called the Basic Model Interface (BMI) and the CSDMS Standard Names. The standard names are used in conjunction with BMI to provide a semantic matching mechanism that allows output variables from one process model to be reliably used as input variables to other process models in a collection. They include not just a standardized naming scheme for model variables, but also a standardized set of terms for describing the attributes and assumptions of a given model. To illustrate the power of standardized model interfaces and metadata, a smart, light-weight modeling framework written in Python will be introduced that can automatically (without user intervention) couple a set of BMI-enabled hydrologic process components together to create a spatial hydrologic model. The same mechanisms could also be used to provide seamless integration (import/export) of data and models.

Solar Atmosphere to Earth's Surface: Long Lead Time dB/dt Predictions with the Space Weather Modeling Framework

NASA Astrophysics Data System (ADS)

Welling, D. T.; Manchester, W.; Savani, N.; Sokolov, I.; van der Holst, B.; Jin, M.; Toth, G.; Liemohn, M. W.; Gombosi, T. I.

2017-12-01

The future of space weather prediction depends on the community's ability to predict L1 values from observations of the solar atmosphere, which can yield hours of lead time. While both empirical and physics-based L1 forecast methods exist, it is not yet known if this nascent capability can translate to skilled dB/dt forecasts at the Earth's surface. This paper shows results for the first forecast-quality, solar-atmosphere-to-Earth's-surface dB/dt predictions. Two methods are used to predict solar wind and IMF conditions at L1 for several real-world coronal mass ejection events. The first method is an empirical and observationally based system to estimate the plasma characteristics. The magnetic field predictions are based on the Bz4Cast system which assumes that the CME has a cylindrical flux rope geometry locally around Earth's trajectory. The remaining plasma parameters of density, temperature and velocity are estimated from white-light coronagraphs via a variety of triangulation methods and forward based modelling. The second is a first-principles-based approach that combines the Eruptive Event Generator using Gibson-Low configuration (EEGGL) model with the Alfven Wave Solar Model (AWSoM). EEGGL specifies parameters for the Gibson-Low flux rope such that it erupts, driving a CME in the coronal model that reproduces coronagraph observations and propagates to 1AU. The resulting solar wind predictions are used to drive the operational Space Weather Modeling Framework (SWMF) for geospace. Following the configuration used by NOAA's Space Weather Prediction Center, this setup couples the BATS-R-US global magnetohydromagnetic model to the Rice Convection Model (RCM) ring current model and a height-integrated ionosphere electrodynamics model. The long lead time predictions of dB/dt are compared to model results that are driven by L1 solar wind observations. Both are compared to real-world observations from surface magnetometers at a variety of geomagnetic latitudes. Metrics are calculated to examine how the simulated solar wind drivers impact forecast skill. These results illustrate the current state of long-lead-time forecasting and the promise of this technology for operational use.

Automatic left-atrial segmentation from cardiac 3D ultrasound: a dual-chamber model-based approach

NASA Astrophysics Data System (ADS)

Almeida, Nuno; Sarvari, Sebastian I.; Orderud, Fredrik; Gérard, Olivier; D'hooge, Jan; Samset, Eigil

2016-04-01

In this paper, we present an automatic solution for segmentation and quantification of the left atrium (LA) from 3D cardiac ultrasound. A model-based framework is applied, making use of (deformable) active surfaces to model the endocardial surfaces of cardiac chambers, allowing incorporation of a priori anatomical information in a simple fashion. A dual-chamber model (LA and left ventricle) is used to detect and track the atrio-ventricular (AV) plane, without any user input. Both chambers are represented by parametric surfaces and a Kalman filter is used to fit the model to the position of the endocardial walls detected in the image, providing accurate detection and tracking during the whole cardiac cycle. This framework was tested in 20 transthoracic cardiac ultrasound volumetric recordings of healthy volunteers, and evaluated using manual traces of a clinical expert as a reference. The 3D meshes obtained with the automatic method were close to the reference contours at all cardiac phases (mean distance of 0.03+/-0.6 mm). The AV plane was detected with an accuracy of -0.6+/-1.0 mm. The LA volumes assessed automatically were also in agreement with the reference (mean +/-1.96 SD): 0.4+/-5.3 ml, 2.1+/-12.6 ml, and 1.5+/-7.8 ml at end-diastolic, end-systolic and pre-atrial-contraction frames, respectively. This study shows that the proposed method can be used for automatic volumetric assessment of the LA, considerably reducing the analysis time and effort when compared to manual analysis.

Optimization of Modeled Land-Atmosphere Exchanges of Water and Energy in an Isotopically-Enabled Land Surface Model by Bayesian Parameter Calibration

NASA Astrophysics Data System (ADS)

Wong, T. E.; Noone, D. C.; Kleiber, W.

2014-12-01

The single largest uncertainty in climate model energy balance is the surface latent heating over tropical land. Furthermore, the partitioning of the total latent heat flux into contributions from surface evaporation and plant transpiration is of great importance, but notoriously poorly constrained. Resolving these issues will require better exploiting information which lies at the interface between observations and advanced modeling tools, both of which are imperfect. There are remarkably few observations which can constrain these fluxes, placing strict requirements on developing statistical methods to maximize the use of limited information to best improve models. Previous work has demonstrated the power of incorporating stable water isotopes into land surface models for further constraining ecosystem processes. We present results from a stable water isotopically-enabled land surface model (iCLM4), including model experiments partitioning the latent heat flux into contributions from plant transpiration and surface evaporation. It is shown that the partitioning results are sensitive to the parameterization of kinetic fractionation used. We discuss and demonstrate an approach to calibrating select model parameters to observational data in a Bayesian estimation framework, requiring Markov Chain Monte Carlo sampling of the posterior distribution, which is shown to constrain uncertain parameters as well as inform relevant values for operational use. Finally, we discuss the application of the estimation scheme to iCLM4, including entropy as a measure of information content and specific challenges which arise in calibration models with a large number of parameters.

Advances in Geoscience Modeling: Smart Modeling Frameworks, Self-Describing Models and the Role of Standardized Metadata

NASA Astrophysics Data System (ADS)

Peckham, Scott

2016-04-01

Over the last decade, model coupling frameworks like CSDMS (Community Surface Dynamics Modeling System) and ESMF (Earth System Modeling Framework) have developed mechanisms that make it much easier for modelers to connect heterogeneous sets of process models in a plug-and-play manner to create composite "system models". These mechanisms greatly simplify code reuse, but must simultaneously satisfy many different design criteria. They must be able to mediate or compensate for differences between the process models, such as their different programming languages, computational grids, time-stepping schemes, variable names and variable units. However, they must achieve this interoperability in a way that: (1) is noninvasive, requiring only relatively small and isolated changes to the original source code, (2) does not significantly reduce performance, (3) is not time-consuming or confusing for a model developer to implement, (4) can very easily be updated to accommodate new versions of a given process model and (5) does not shift the burden of providing model interoperability to the model developers. In tackling these design challenges, model framework developers have learned that the best solution is to provide each model with a simple, standardized interface, i.e. a set of standardized functions that make the model: (1) fully-controllable by a caller (e.g. a model framework) and (2) self-describing with standardized metadata. Model control functions are separate functions that allow a caller to initialize the model, advance the model's state variables in time and finalize the model. Model description functions allow a caller to retrieve detailed information on the model's input and output variables, its computational grid and its timestepping scheme. If the caller is a modeling framework, it can use the self description functions to learn about each process model in a collection to be coupled and then automatically call framework service components (e.g. regridders, time interpolators and unit converters) as necessary to mediate the differences between them so they can work together. This talk will first review two key products of the CSDMS project, namely a standardized model interface called the Basic Model Interface (BMI) and the CSDMS Standard Names. The standard names are used in conjunction with BMI to provide a semantic matching mechanism that allows output variables from one process model or data set to be reliably used as input variables to other process models in a collection. They include not just a standardized naming scheme for model variables, but also a standardized set of terms for describing the attributes and assumptions of a given model. Recent efforts to bring powerful uncertainty analysis and inverse modeling toolkits such as DAKOTA into modeling frameworks will also be described. This talk will conclude with an overview of several related modeling projects that have been funded by NSF's EarthCube initiative, namely the Earth System Bridge, OntoSoft and GeoSemantics projects.

From Mouth-level to Tooth-level DMFS: Conceptualizing a Theoretical Framework

PubMed Central

Bandyopadhyay, Dipankar

2015-01-01

Objective There is no dearth of correlated count data in any biological or clinical settings, and the ability to accurately analyze and interpret such data remains an exciting area of research. In oral health epidemiology, the Decayed, Missing, Filled (DMF) index has been continuously used for over 70 years as the key measure to quantify caries experience. The DMF index projects a subject’s caries status using either the DMF(T), the total number of DMF teeth, or the DMF(S), counting the total DMF teeth surfaces, for that subject. However, surfaces within a particular tooth or a subject constitute clustered data, and the DMFS mostly overlook this clustering effect to attain an over-simplified summary index, ignoring the true tooth-level caries status. Besides, the DMFT/DMFS might exhibit excess of some specific counts (say, zeroes representing the set of relatively disease-free carious state), or can exhibit overdispersion, and accounting for the excess responses or overdispersion remains a key component is selecting the appropriate modeling strategy. Methods & Results This concept paper presents the rationale and the theoretical framework which a dental researcher might consider at the onset in order to choose a plausible statistical model for tooth-level DMFS. Various nuances related to model fitting, selection and parameter interpretation are also explained. Conclusion The author recommends conceptualizing the correct stochastic framework should serve as the guiding force to the dental researcher’s never-ending goal of assessing complex covariate-response relationships efficiently. PMID:26618183

Interaction Between Ecohydrologic Dynamics and Microtopographic Variability Under Climate Change

NASA Astrophysics Data System (ADS)

Le, Phong V. V.; Kumar, Praveen

2017-10-01

Vegetation acclimation resulting from elevated atmospheric CO2 concentration, along with response to increased temperature and altered rainfall pattern, is expected to result in emergent behavior in ecologic and hydrologic functions. We hypothesize that microtopographic variability, which are landscape features typically of the length scale of the order of meters, such as topographic depressions, will play an important role in determining this dynamics by altering the persistence and variability of moisture. To investigate these emergent ecohydrologic dynamics, we develop a modeling framework, Dhara, which explicitly incorporates the control of microtopographic variability on vegetation, moisture, and energy dynamics. The intensive computational demand from such a modeling framework that allows coupling of multilayer modeling of the soil-vegetation continuum with 3-D surface-subsurface flow processes is addressed using hybrid CPU-GPU parallel computing framework. The study is performed for different climate change scenarios for an intensively managed agricultural landscape in central Illinois, USA, which is dominated by row-crop agriculture, primarily soybean (Glycine max) and maize (Zea mays). We show that rising CO2 concentration will decrease evapotranspiration, thus increasing soil moisture and surface water ponding in topographic depressions. However, increased atmospheric demand from higher air temperature overcomes this conservative behavior resulting in a net increase of evapotranspiration, leading to reduction in both soil moisture storage and persistence of ponding. These results shed light on the linkage between vegetation acclimation under climate change and microtopography variability controls on ecohydrologic processes.

Stability analysis of nanoscale surface patterns in stressed solids

NASA Astrophysics Data System (ADS)

Kostyrko, Sergey A.; Shuvalov, Gleb M.

2018-05-01

Here, we use the theory of surface elasticity to extend the morphological instability analysis of stressed solids developed in the works of Asaro, Tiller, Grinfeld, Srolovitz and many others. Within the framework of Gurtin-Murdoch model, the surface phase is assumed to be a negligibly thin layer with the elastic properties which differ from those of the bulk material. We consider the mass transport mechanism driven by the variation of surface and bulk energy along undulated surface of stressed solid. The linearized surface evolution equation is derived in the case of plane strain conditions and describes the amplitude change of surface perturbations with time. A parametric analysis of this equation leads to the definition of critical conditions which depend on undulation wavelength, residual surface stress, applied loading, surface and bulk elastic constants and predict the surface morphological stability.

Surface complexation modeling of zinc sorption onto ferrihydrite.

PubMed

Dyer, James A; Trivedi, Paras; Scrivner, Noel C; Sparks, Donald L

2004-02-01

A previous study involving lead(II) [Pb(II)] sorption onto ferrihydrite over a wide range of conditions highlighted the advantages of combining molecular- and macroscopic-scale investigations with surface complexation modeling to predict Pb(II) speciation and partitioning in aqueous systems. In this work, an extensive collection of new macroscopic and spectroscopic data was used to assess the ability of the modified triple-layer model (TLM) to predict single-solute zinc(II) [Zn(II)] sorption onto 2-line ferrihydrite in NaNO(3) solutions as a function of pH, ionic strength, and concentration. Regression of constant-pH isotherm data, together with potentiometric titration and pH edge data, was a much more rigorous test of the modified TLM than fitting pH edge data alone. When coupled with valuable input from spectroscopic analyses, good fits of the isotherm data were obtained with a one-species, one-Zn-sorption-site model using the bidentate-mononuclear surface complex, (triple bond FeO)(2)Zn; however, surprisingly, both the density of Zn(II) sorption sites and the value of the best-fit equilibrium "constant" for the bidentate-mononuclear complex had to be adjusted with pH to adequately fit the isotherm data. Although spectroscopy provided some evidence for multinuclear surface complex formation at surface loadings approaching site saturation at pH >/=6.5, the assumption of a bidentate-mononuclear surface complex provided acceptable fits of the sorption data over the entire range of conditions studied. Regressing edge data in the absence of isotherm and spectroscopic data resulted in a fair number of surface-species/site-type combinations that provided acceptable fits of the edge data, but unacceptable fits of the isotherm data. A linear relationship between logK((triple bond FeO)2Zn) and pH was found, given by logK((triple bond FeO)2Znat1g/l)=2.058 (pH)-6.131. In addition, a surface activity coefficient term was introduced to the model to reduce the ionic strength dependence of sorption. The results of this research and previous work with Pb(II) indicate that the existing thermodynamic framework for the modified TLM is able to reproduce the metal sorption data only over a limited range of conditions. For this reason, much work still needs to be done in fine-tuning the thermodynamic framework and databases for the TLM.

Diffraction of a Shock Wave on a Wedge in a Dusty Gas

NASA Astrophysics Data System (ADS)

Surov, V. S.

2017-09-01

Within the framework of one- and multivelocity dusty-gas models, the author has investigated, on a curvilinear grid, flow in reflection of a shock wave from the wedge-shaped surface in an air-droplet mixture using the Godunov method with a linearized Riemannian solver.

Socioeconomic Drought in a Changing Climate: Modeling and Management

NASA Astrophysics Data System (ADS)

AghaKouchak, Amir; Mehran, Ali; Mazdiyasni, Omid

2016-04-01

Drought is typically defined based on meteorological, hydrological and land surface conditions. However, in many parts of the world, anthropogenic changes and water management practices have significantly altered local water availability. Socioeconomic drought refers to conditions whereby the available water supply cannot satisfy the human and environmental water needs. Surface water reservoirs provide resilience against local climate variability (e.g., droughts), and play a major role in regional water management. This presentation focuses on a framework for describing socioeconomic drought based on both water supply and demand information. We present a multivariate approach as a measure of socioeconomic drought, termed Multivariate Standardized Reliability and Resilience Index (MSRRI; Mehran et al., 2015). This model links the information on inflow and surface reservoir storage to water demand. MSRRI integrates a "top-down" and a "bottom-up" approach for describing socioeconomic drought. The "top-down" component describes processes that cannot be simply controlled or altered by local decision-makers and managers (e.g., precipitation, climate variability, climate change), whereas the "bottom-up" component focuses on the local resilience, and societal capacity to respond to droughts. The two components (termed, Inflow-Demand Reliability (IDR) indicator and Water Storage Resilience (WSR) indicator) are integrated using a nonparametric multivariate approach. We use this framework to assess the socioeconomic drought during the Australian Millennium Drought (1998-2010) and the 2011-2014 California Droughts. MSRRI provides additional information on socioeconomic drought onset, development and termination based on local resilience and human demand that cannot be obtained from the commonly used drought indicators. We show that MSRRI can be used for water management scenario analysis (e.g., local water availability based on different human water demands scenarios). Finally, we provide examples of using the proposed modeling framework for analyzing water availability in a changing climate considering local conditions. Reference: Mehran A., Mazdiyasni O., AghaKouchak A., 2015, A Hybrid Framework for Assessing Socioeconomic Drought: Linking Climate Variability, Local Resilience, and Demand, Journal of Geophysical Research, 120 (15), 7520-7533, doi: 10.1002/2015JD023147

Empirical Relationships Among Magnitude and Surface Rupture Characteristics of Strike-Slip Faults: Effect of Fault (System) Geometry and Observation Location, Dervided From Numerical Modeling

NASA Astrophysics Data System (ADS)

Zielke, O.; Arrowsmith, J.

2007-12-01

In order to determine the magnitude of pre-historic earthquakes, surface rupture length, average and maximum surface displacement are utilized, assuming that an earthquake of a specific size will cause surface features of correlated size. The well known Wells and Coppersmith (1994) paper and other studies defined empirical relationships between these and other parameters, based on historic events with independently known magnitude and rupture characteristics. However, these relationships show relatively large standard deviations and they are based only on a small number of events. To improve these first-order empirical relationships, the observation location relative to the rupture extent within the regional tectonic framework should be accounted for. This however cannot be done based on natural seismicity because of the limited size of datasets on large earthquakes. We have developed the numerical model FIMozFric, based on derivations by Okada (1992) to create synthetic seismic records for a given fault or fault system under the influence of either slip- or stress boundary conditions. Our model features A) the introduction of an upper and lower aseismic zone, B) a simple Coulomb friction law, C) bulk parameters simulating fault heterogeneity, and D) a fault interaction algorithm handling the large number of fault patches (typically 5,000-10,000). The joint implementation of these features produces well behaved synthetic seismic catalogs and realistic relationships among magnitude and surface rupture characteristics which are well within the error of the results by Wells and Coppersmith (1994). Furthermore, we use the synthetic seismic records to show that the relationships between magntiude and rupture characteristics are a function of the observation location within the regional tectonic framework. The model presented here can to provide paleoseismologists with a tool to improve magnitude estimates from surface rupture characteristics, by incorporating the regional and local structural context which can be determined in the field: Assuming a paleoseismologist measures the offset along a fault caused by an earthquake, our model can be used to determine the probability distribution of magnitudes which are capable of producing the observed offset, accounting for regional tectonic setting and observation location.

The worth of data to reduce predictive uncertainty of an integrated catchment model by multi-constraint calibration

NASA Astrophysics Data System (ADS)

Koch, J.; Jensen, K. H.; Stisen, S.

2017-12-01

Hydrological models that integrate numerical process descriptions across compartments of the water cycle are typically required to undergo thorough model calibration in order to estimate suitable effective model parameters. In this study, we apply a spatially distributed hydrological model code which couples the saturated zone with the unsaturated zone and the energy portioning at the land surface. We conduct a comprehensive multi-constraint model calibration against nine independent observational datasets which reflect both the temporal and the spatial behavior of hydrological response of a 1000km2 large catchment in Denmark. The datasets are obtained from satellite remote sensing and in-situ measurements and cover five keystone hydrological variables: discharge, evapotranspiration, groundwater head, soil moisture and land surface temperature. Results indicate that a balanced optimization can be achieved where errors on objective functions for all nine observational datasets can be reduced simultaneously. The applied calibration framework was tailored with focus on improving the spatial pattern performance; however results suggest that the optimization is still more prone to improve the temporal dimension of model performance. This study features a post-calibration linear uncertainty analysis. This allows quantifying parameter identifiability which is the worth of a specific observational dataset to infer values to model parameters through calibration. Furthermore the ability of an observation to reduce predictive uncertainty is assessed as well. Such findings determine concrete implications on the design of model calibration frameworks and, in more general terms, the acquisition of data in hydrological observatories.

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.

Multisensor satellite data for water quality analysis and water pollution risk assessment: decision making under deep uncertainty with fuzzy algorithm in framework of multimodel approach

NASA Astrophysics Data System (ADS)

Kostyuchenko, Yuriy V.; Sztoyka, Yulia; Kopachevsky, Ivan; Artemenko, Igor; Yuschenko, Maxim

2017-10-01

Multi-model approach for remote sensing data processing and interpretation is described. The problem of satellite data utilization in multi-modeling approach for socio-ecological risks assessment is formally defined. Observation, measurement and modeling data utilization method in the framework of multi-model approach is described. Methodology and models of risk assessment in framework of decision support approach are defined and described. Method of water quality assessment using satellite observation data is described. Method is based on analysis of spectral reflectance of aquifers. Spectral signatures of freshwater bodies and offshores are analyzed. Correlations between spectral reflectance, pollutions and selected water quality parameters are analyzed and quantified. Data of MODIS, MISR, AIRS and Landsat sensors received in 2002-2014 have been utilized verified by in-field spectrometry and lab measurements. Fuzzy logic based approach for decision support in field of water quality degradation risk is discussed. Decision on water quality category is making based on fuzzy algorithm using limited set of uncertain parameters. Data from satellite observations, field measurements and modeling is utilizing in the framework of the approach proposed. It is shown that this algorithm allows estimate water quality degradation rate and pollution risks. Problems of construction of spatial and temporal distribution of calculated parameters, as well as a problem of data regularization are discussed. Using proposed approach, maps of surface water pollution risk from point and diffuse sources are calculated and discussed.

A conceptual hydrogeologic model for the hydrogeologic framework, geochemistry, and groundwater-flow system of the Edwards-Trinity and related aquifers in the Pecos County region, Texas

USGS Publications Warehouse

Thomas, Jonathan V.; Stanton, Gregory P.; Bumgarner, Johnathan R.; Pearson, Daniel K.; Teeple, Andrew; Houston, Natalie A.; Payne, Jason; Musgrove, MaryLynn

2013-01-01

Several previous studies have been done to compile or collect physical and chemical data, describe the hydrogeologic processes, and develop conceptual and numerical groundwater-flow models of the Edwards-Trinity aquifer in the Trans-Pecos region. Documented methods were used to compile and collect groundwater, surface-water, geochemical, geophysical, and geologic information that subsequently were used to develop this conceptual model.

An automated multi-model based evapotranspiration estimation framework for understanding crop-climate interactions in India

NASA Astrophysics Data System (ADS)

Bhattarai, N.; Jain, M.; Mallick, K.

2017-12-01

A remote sensing based multi-model evapotranspiration (ET) estimation framework is developed using MODIS and NASA Merra-2 reanalysis data for data poor regions, and we apply this framework to the Indian subcontinent. The framework eliminates the need for in-situ calibration data and hence estimates ET completely from space and is replicable across all regions in the world. Currently, six surface energy balance models ranging from widely-used SEBAL, METRIC, and SEBS to moderately-used S-SEBI, SSEBop, and a relatively new model, STIC1.2 are being integrated and validated. Preliminary analysis suggests good predictability of the models for estimating near- real time ET under clear sky conditions from various crop types in India with coefficient of determination 0.32-0.55 and percent bias -15%-28%, when compared against Bowen Ratio based ET estimates. The results are particularly encouraging given that no direct ground input data were used in the analysis. The framework is currently being extended to estimate seasonal ET across the Indian subcontinent using a model-ensemble approach that uses all available MODIS 8-day datasets since 2000. These ET products are being used to monitor inter-seasonal and inter-annual dynamics of ET and crop water use across different crop and irrigation practices in India. Particularly, the potential impacts of changes in precipitation patterns and extreme heat (e.g., extreme degree days) on seasonal crop water consumption is being studied. Our ET products are able to locate the water stress hotspots that need to be targeted with water saving interventions to maintain agricultural production in the face of climate variability and change.

Systematic evaluation of atmospheric chemistry-transport model CHIMERE

NASA Astrophysics Data System (ADS)

Khvorostyanov, Dmitry; Menut, Laurent; Mailler, Sylvain; Siour, Guillaume; Couvidat, Florian; Bessagnet, Bertrand; Turquety, Solene

2017-04-01

Regional-scale atmospheric chemistry-transport models (CTM) are used to develop air quality regulatory measures, to support environmentally sensitive decisions in the industry, and to address variety of scientific questions involving the atmospheric composition. Model performance evaluation with measurement data is critical to understand their limits and the degree of confidence in model results. CHIMERE CTM (http://www.lmd.polytechnique.fr/chimere/) is a French national tool for operational forecast and decision support and is widely used in the international research community in various areas of atmospheric chemistry and physics, climate, and environment (http://www.lmd.polytechnique.fr/chimere/CW-articles.php). This work presents the model evaluation framework applied systematically to the new CHIMERE CTM versions in the course of the continuous model development. The framework uses three of the four CTM evaluation types identified by the Environmental Protection Agency (EPA) and the American Meteorological Society (AMS): operational, diagnostic, and dynamic. It allows to compare the overall model performance in subsequent model versions (operational evaluation), identify specific processes and/or model inputs that could be improved (diagnostic evaluation), and test the model sensitivity to the changes in air quality, such as emission reductions and meteorological events (dynamic evaluation). The observation datasets currently used for the evaluation are: EMEP (surface concentrations), AERONET (optical depths), and WOUDC (ozone sounding profiles). The framework is implemented as an automated processing chain and allows interactive exploration of the results via a web interface.

Validation of Modelled Ice Dynamics of the Greenland Ice Sheet using Historical Forcing

NASA Astrophysics Data System (ADS)

Hoffman, M. J.; Price, S. F.; Howat, I. M.; Bonin, J. A.; Chambers, D. P.; Tezaur, I.; Kennedy, J. H.; Lenaerts, J.; Lipscomb, W. H.; Neumann, T.; Nowicki, S.; Perego, M.; Saba, J. L.; Salinger, A.; Guerber, J. R.

2015-12-01

Although ice sheet models are used for sea level rise projections, the degree to which these models have been validated by observations is fairly limited, due in part to the limited duration of the satellite observation era and the long adjustment time scales of ice sheets. Here we describe a validation framework for the Greenland Ice Sheet applied to the Community Ice Sheet Model by forcing the model annually with flux anomalies at the major outlet glaciers (Enderlin et al., 2014, observed from Landsat/ASTER/Operation IceBridge) and surface mass balance (van Angelen et al., 2013, calculated from RACMO2) for the period 1991-2012. The ice sheet model output is compared to ice surface elevation observations from ICESat and ice sheet mass change observations from GRACE. Early results show promise for assessing the performance of different model configurations. Additionally, we explore the effect of ice sheet model resolution on validation skill.

Excellent performance of copper based metal organic framework in adsorptive removal of toxic sulfonamide antibiotics from wastewater.

PubMed

Azhar, Muhammad Rizwan; Abid, Hussein Rasool; Sun, Hongqi; Periasamy, Vijay; Tadé, Moses O; Wang, Shaobin

2016-09-15

The increasing concerns on toxicity of sulfonamide antibiotics in water require a prompt action to establish efficient wastewater treatment processes for their removal. In this study, adsorptive removal of a model sulfonamide antibiotic, sulfachloropyridazine (SCP), from wastewater is presented for the first time using a metal organic framework (MOF). A high surface area and thermally stable MOF, HKUST-1, was synthesized by a facile method. Batch adsorption studies were systematically carried out using HKUST-1. The high surface area and unsaturated metal sites resulted in a significant adsorption capacity with faster kinetics. Most of the SCP was removed in 15min and the kinetic data were best fitted with the pseudo second order model. Moreover, isothermal data were best fitted with the Langmuir model. The thermodynamic results showed that the adsorption is a spontaneous and endothermic process. The adsorption capacity of HKUST-1 is 384mg/g at 298K which is the highest compared to most of the materials for the antibiotics. The high adsorption capacity is attributed mainly to π-π stacking, hydrogen bonding and electrostatic interactions. Copyright © 2016 Elsevier Inc. All rights reserved.

Engineering and analysis of surface interactions in a microfluidic herringbone micromixer.

PubMed

Forbes, Thomas P; Kralj, Jason G

2012-08-07

We developed a computational model and theoretical framework to investigate the geometrical optimization of particle-surface interactions in a herringbone micromixer. The enhancement of biomolecule- and particle-surface interactions in microfluidic devices through mixing and streamline disruption holds promise for a variety of applications. This analysis provides guidelines for optimizing the frequency and specific location of surface interactions based on the flow pattern and relative hydraulic resistance between a groove and the effective channel. The channel bottom, i.e., channel surface between grooves, was identified as the dominant location for surface contact. In addition, geometries that decrease the groove-to-channel hydraulic resistance improve contact with the channel top. Thus, herringbone mixers appear useful for a variety of surface-interaction applications, yet they have largely not been employed in an optimized fashion.

Chemically Active, Porous 3D-Printed Thermoplastic Composites.

PubMed

Evans, Kent A; Kennedy, Zachary C; Arey, Bruce W; Christ, Josef F; Schaef, Herbert T; Nune, Satish K; Erikson, Rebecca L

2018-05-02

Metal-organic frameworks (MOFs) exhibit exceptional properties and are widely investigated because of their structural and functional versatility relevant to catalysis, separations, and sensing applications. However, their commercial or large-scale application is often limited by their powder forms which make integration into devices challenging. Here, we report the production of MOF-thermoplastic polymer composites in well-defined and customizable forms and with complex internal structural features accessed via a standard three-dimensional (3D) printer. MOFs (zeolitic imidazolate framework; ZIF-8) were incorporated homogeneously into both poly(lactic acid) (PLA) and thermoplastic polyurethane (TPU) matrices at high loadings (up to 50% by mass), extruded into filaments, and utilized for on-demand access to 3D structures by fused deposition modeling. Printed, rigid PLA/MOF composites display a large surface area (SA avg = 531 m 2 g -1 ) and hierarchical pore features, whereas flexible TPU/MOF composites achieve a high surface area (SA avg = 706 m 2 g -1 ) by employing a simple method developed to expose obstructed micropores postprinting. Critically, embedded particles in the plastic matrices retain their ability to participate in chemical interactions characteristic of the parent framework. The fabrication strategies were extended to other MOFs and illustrate the potential of 3D printing to create unique porous and high surface area chemically active structures.

Comparison of two perturbation methods to estimate the land surface modeling uncertainty

NASA Astrophysics Data System (ADS)

Su, H.; Houser, P.; Tian, Y.; Kumar, S.; Geiger, J.; Belvedere, D.

2007-12-01

In land surface modeling, it is almost impossible to simulate the land surface processes without any error because the earth system is highly complex and the physics of the land processes has not yet been understood sufficiently. In most cases, people want to know not only the model output but also the uncertainty in the modeling, to estimate how reliable the modeling is. Ensemble perturbation is an effective way to estimate the uncertainty in land surface modeling, since land surface models are highly nonlinear which makes the analytical approach not applicable in this estimation. The ideal perturbation noise is zero mean Gaussian distribution, however, this requirement can't be satisfied if the perturbed variables in land surface model have physical boundaries because part of the perturbation noises has to be removed to feed the land surface models properly. Two different perturbation methods are employed in our study to investigate their impact on quantifying land surface modeling uncertainty base on the Land Information System (LIS) framework developed by NASA/GSFC land team. One perturbation method is the built-in algorithm named "STATIC" in LIS version 5; the other is a new perturbation algorithm which was recently developed to minimize the overall bias in the perturbation by incorporating additional information from the whole time series for the perturbed variable. The statistical properties of the perturbation noise generated by the two different algorithms are investigated thoroughly by using a large ensemble size on a NASA supercomputer and then the corresponding uncertainty estimates based on the two perturbation methods are compared. Their further impacts on data assimilation are also discussed. Finally, an optimal perturbation method is suggested.

Optimizing Discharge Capacity of Li-O 2 Batteries by Design of Air-Electrode Porous Structure: Multifidelity Modeling and Optimization

DOE PAGES

Pan, Wenxiao; Yang, Xiu; Bao, Jie; ...

2017-01-01

We develop a new mathematical framework to study the optimal design of air electrode microstructures for lithium-oxygen (Li-O2) batteries. It can eectively reduce the number of expensive experiments for testing dierent air-electrodes, thereby minimizing the cost in the design of Li-O2 batteries. The design parameters to characterize an air-electrode microstructure include the porosity, surface-to-volume ratio, and parameters associated with the pore-size distribution. A surrogate model (also known as response surface) for discharge capacity is rst constructed as a function of these design parameters. The surrogate model is accurate and easy to evaluate such that an optimization can be performed basedmore » on it. In particular, a Gaussian process regression method, co-kriging, is employed due to its accuracy and eciency in predicting high-dimensional responses from a combination of multidelity data. Specically, a small amount of data from high-delity simulations are combined with a large number of data obtained from computationally ecient low-delity simulations. The high-delity simulation is based on a multiscale modeling approach that couples the microscale (pore-scale) and macroscale (device-scale) models. Whereas, the low-delity simulation is based on an empirical macroscale model. The constructed response surface provides quantitative understanding and prediction about how air electrode microstructures aect the discharge performance of Li-O2 batteries. The succeeding sensitivity analysis via Sobol indices and optimization via genetic algorithm ultimately oer a reliable guidance on the optimal design of air electrode microstructures. The proposed mathematical framework can be generalized to investigate other new energy storage techniques and materials.« less

Optimizing Discharge Capacity of Li-O 2 Batteries by Design of Air-Electrode Porous Structure: Multifidelity Modeling and Optimization

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

Pan, Wenxiao; Yang, Xiu; Bao, Jie

We develop a new mathematical framework to study the optimal design of air electrode microstructures for lithium-oxygen (Li-O2) batteries. It can eectively reduce the number of expensive experiments for testing dierent air-electrodes, thereby minimizing the cost in the design of Li-O2 batteries. The design parameters to characterize an air-electrode microstructure include the porosity, surface-to-volume ratio, and parameters associated with the pore-size distribution. A surrogate model (also known as response surface) for discharge capacity is rst constructed as a function of these design parameters. The surrogate model is accurate and easy to evaluate such that an optimization can be performed basedmore » on it. In particular, a Gaussian process regression method, co-kriging, is employed due to its accuracy and eciency in predicting high-dimensional responses from a combination of multidelity data. Specically, a small amount of data from high-delity simulations are combined with a large number of data obtained from computationally ecient low-delity simulations. The high-delity simulation is based on a multiscale modeling approach that couples the microscale (pore-scale) and macroscale (device-scale) models. Whereas, the low-delity simulation is based on an empirical macroscale model. The constructed response surface provides quantitative understanding and prediction about how air electrode microstructures aect the discharge performance of Li-O2 batteries. The succeeding sensitivity analysis via Sobol indices and optimization via genetic algorithm ultimately oer a reliable guidance on the optimal design of air electrode microstructures. The proposed mathematical framework can be generalized to investigate other new energy storage techniques and materials.« less

Numerical simulation of two-dimensional flow over a heated carbon surface with coupled heterogeneous and homogeneous reactions

NASA Astrophysics Data System (ADS)

Johnson, Ryan Federick; Chelliah, Harsha Kumar

2017-01-01

For a range of flow and chemical timescales, numerical simulations of two-dimensional laminar flow over a reacting carbon surface were performed to understand further the complex coupling between heterogeneous and homogeneous reactions. An open-source computational package (OpenFOAM®) was used with previously developed lumped heterogeneous reaction models for carbon surfaces and a detailed homogeneous reaction model for CO oxidation. The influence of finite-rate chemical kinetics was explored by varying the surface temperatures from 1800 to 2600 K, while flow residence time effects were explored by varying the free-stream velocity up to 50 m/s. The reacting boundary layer structure dependence on the residence time was analysed by extracting the ratio of chemical source and species diffusion terms. The important contributions of radical species reactions on overall carbon removal rate, which is often neglected in multi-dimensional simulations, are highlighted. The results provide a framework for future development and validation of lumped heterogeneous reaction models based on multi-dimensional reacting flow configurations.

Lowering the barriers to computational modeling of Earth's surface: coupling Jupyter Notebooks with Landlab, HydroShare, and CyberGIS for research and education.

NASA Astrophysics Data System (ADS)

Bandaragoda, C.; Castronova, A. M.; Phuong, J.; Istanbulluoglu, E.; Strauch, R. L.; Nudurupati, S. S.; Tarboton, D. G.; Wang, S. W.; Yin, D.; Barnhart, K. R.; Tucker, G. E.; Hutton, E.; Hobley, D. E. J.; Gasparini, N. M.; Adams, J. M.

2017-12-01

The ability to test hypotheses about hydrology, geomorphology and atmospheric processes is invaluable to research in the era of big data. Although community resources are available, there remain significant educational, logistical and time investment barriers to their use. Knowledge infrastructure is an emerging intellectual framework to understand how people are creating, sharing and distributing knowledge - which has been dramatically transformed by Internet technologies. In addition to the technical and social components in a cyberinfrastructure system, knowledge infrastructure considers educational, institutional, and open source governance components required to advance knowledge. We are designing an infrastructure environment that lowers common barriers to reproducing modeling experiments for earth surface investigation. Landlab is an open-source modeling toolkit for building, coupling, and exploring two-dimensional numerical models. HydroShare is an online collaborative environment for sharing hydrologic data and models. CyberGIS-Jupyter is an innovative cyberGIS framework for achieving data-intensive, reproducible, and scalable geospatial analytics using the Jupyter Notebook based on ROGER - the first cyberGIS supercomputer, so that models that can be elastically reproduced through cloud computing approaches. Our team of geomorphologists, hydrologists, and computer geoscientists has created a new infrastructure environment that combines these three pieces of software to enable knowledge discovery. Through this novel integration, any user can interactively execute and explore their shared data and model resources. Landlab on HydroShare with CyberGIS-Jupyter supports the modeling continuum from fully developed modelling applications, prototyping new science tools, hands on research demonstrations for training workshops, and classroom applications. Computational geospatial models based on big data and high performance computing can now be more efficiently developed, improved, scaled, and seamlessly reproduced among multidisciplinary users, thereby expanding the active learning curriculum and research opportunities for students in earth surface modeling and informatics.

Land surface Verification Toolkit (LVT)

NASA Technical Reports Server (NTRS)

Kumar, Sujay V.

2017-01-01

LVT is a framework developed to provide an automated, consolidated environment for systematic land surface model evaluation Includes support for a range of in-situ, remote-sensing and other model and reanalysis products. Supports the analysis of outputs from various LIS subsystems, including LIS-DA, LIS-OPT, LIS-UE. Note: The Land Information System Verification Toolkit (LVT) is a NASA software tool designed to enable the evaluation, analysis and comparison of outputs generated by the Land Information System (LIS). The LVT software is released under the terms and conditions of the NASA Open Source Agreement (NOSA) Version 1.1 or later. Land Information System Verification Toolkit (LVT) NOSA.

Three-Dimensional Geologic Framework Model for a Karst Aquifer System, Hasty and Western Grove Quadrangles, Northern Arkansas

USGS Publications Warehouse

Turner, Kenzie J.; Hudson, Mark R.; Murray, Kyle E.; Mott, David N.

2007-01-01

Understanding ground-water flow in a karst aquifer benefits from a detailed conception of the three-dimensional (3D) geologic framework. Traditional two-dimensional products, such as geologic maps, cross-sections, and structure contour maps, convey a mental picture of the area but a stronger conceptualization can be achieved by constructing a digital 3D representation of the stratigraphic and structural geologic features. In this study, a 3D geologic model was created to better understand a karst aquifer system in the Buffalo National River watershed in northern Arkansas. The model was constructed based on data obtained from recent, detailed geologic mapping for the Hasty and Western Grove 7.5-minute quadrangles. The resulting model represents 11 stratigraphic zones of Ordovician, Mississippian, and Pennsylvanian age. As a result of the highly dissected topography, stratigraphic and structural control from geologic contacts and interpreted structure contours were sufficient for effectively modeling the faults and folds in the model area. Combined with recent dye-tracing studies, the 3D framework model is useful for visualizing the various geologic features and for analyzing the potential control they exert on the ground-water flow regime. Evaluation of the model, by comparison to published maps and cross-sections, indicates that the model accurately reproduces both the surface geology and subsurface geologic features of the area.

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.

An integrated assessment modeling framework for uncertainty studies in global and regional climate change: the MIT IGSM-CAM (version 1.0)

NASA Astrophysics Data System (ADS)

Monier, E.; Scott, J. R.; Sokolov, A. P.; Forest, C. E.; Schlosser, C. A.

2013-12-01

This paper describes a computationally efficient framework for uncertainty studies in global and regional climate change. In this framework, the Massachusetts Institute of Technology (MIT) Integrated Global System Model (IGSM), an integrated assessment model that couples an Earth system model of intermediate complexity to a human activity model, is linked to the National Center for Atmospheric Research (NCAR) Community Atmosphere Model (CAM). Since the MIT IGSM-CAM framework (version 1.0) incorporates a human activity model, it is possible to analyze uncertainties in emissions resulting from both uncertainties in the underlying socio-economic characteristics of the economic model and in the choice of climate-related policies. Another major feature is the flexibility to vary key climate parameters controlling the climate system response to changes in greenhouse gases and aerosols concentrations, e.g., climate sensitivity, ocean heat uptake rate, and strength of the aerosol forcing. The IGSM-CAM is not only able to realistically simulate the present-day mean climate and the observed trends at the global and continental scale, but it also simulates ENSO variability with realistic time scales, seasonality and patterns of SST anomalies, albeit with stronger magnitudes than observed. The IGSM-CAM shares the same general strengths and limitations as the Coupled Model Intercomparison Project Phase 3 (CMIP3) models in simulating present-day annual mean surface temperature and precipitation. Over land, the IGSM-CAM shows similar biases to the NCAR Community Climate System Model (CCSM) version 3, which shares the same atmospheric model. This study also presents 21st century simulations based on two emissions scenarios (unconstrained scenario and stabilization scenario at 660 ppm CO2-equivalent) similar to, respectively, the Representative Concentration Pathways RCP8.5 and RCP4.5 scenarios, and three sets of climate parameters. Results of the simulations with the chosen climate parameters provide a good approximation for the median, and the 5th and 95th percentiles of the probability distribution of 21st century changes in global mean surface air temperature from previous work with the IGSM. Because the IGSM-CAM framework only considers one particular climate model, it cannot be used to assess the structural modeling uncertainty arising from differences in the parameterization suites of climate models. However, comparison of the IGSM-CAM projections with simulations of 31 CMIP5 models under the RCP4.5 and RCP8.5 scenarios show that the range of warming at the continental scale shows very good agreement between the two ensemble simulations, except over Antarctica, where the IGSM-CAM overestimates the warming. This demonstrates that by sampling the climate system response, the IGSM-CAM, even though it relies on one single climate model, can essentially reproduce the range of future continental warming simulated by more than 30 different models. Precipitation changes projected in the IGSM-CAM simulations and the CMIP5 multi-model ensemble both display a large uncertainty at the continental scale. The two ensemble simulations show good agreement over Asia and Europe. However, the ranges of precipitation changes do not overlap - but display similar size - over Africa and South America, two continents where models generally show little agreement in the sign of precipitation changes and where CCSM3 tends to be an outlier. Overall, the IGSM-CAM provides an efficient and consistent framework to explore the large uncertainty in future projections of global and regional climate change associated with uncertainty in the climate response and projected emissions.

Growth Angle: A Microscopic View

NASA Technical Reports Server (NTRS)

Mazuruk, Konstantin; Croll, Arne; Volz, Martin P.

2017-01-01

A microscopic continuum mechanical model of the growth angle is proposed. It is based on the van der Waals type framework that is used for surface force phenomena. The obtained augmented Laplace type integro-differential equations are, in general, difficult to analyze. Here we focused primarily on the particular case of equal melt and crystal surface energies. We derived an approximate equation for the meniscus shape, and obtained an analytical relationship between the contact and the growth angle. Interestingly, the same result can be obtained using the macroscopic model of Herring. The case of a macroscopically sharp corner is also considered. For this case, the macroscopic angle is not defined and it can be any angle between the contact angles of both flat surfaces. The microscopic model yields the smooth shape for the meniscus that also is not unique, but depends on the initial position of the meniscus.

Drivers of Arctic Ocean warming in CMIP5 models

NASA Astrophysics Data System (ADS)

Burgard, Clara; Notz, Dirk

2017-05-01

We investigate changes in the Arctic Ocean energy budget simulated by 26 general circulation models from the Coupled Model Intercomparison Project Phase 5 framework. Our goal is to understand whether the Arctic Ocean warming between 1961 and 2099 is primarily driven by changes in the net atmospheric surface flux or by changes in the meridional oceanic heat flux. We find that the simulated Arctic Ocean warming is driven by positive anomalies in the net atmospheric surface flux in 11 models, by positive anomalies in the meridional oceanic heat flux in 11 models, and by positive anomalies in both energy fluxes in four models. The different behaviors are mainly characterized by the different changes in meridional oceanic heat flux that lead to different changes in the turbulent heat loss to the atmosphere. The multimodel ensemble mean is hence not representative of a consensus across the models in Arctic climate projections.

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.

Evaluation on newly developed high resolution of surface solar radiation from MTSAT observations for the Tibetan Plateau

NASA Astrophysics Data System (ADS)

Niu, X.; Yang, K.; Tang, W.; Qin, J.

2015-12-01

Neither surface measurement nor existing remote sensing products of the Surface Solar Radiation (SSR) can meet the application requirements of hydrological and land process modeling in the Tibetan Plateau (TP). High resolution (hourly; 0.1⁰) of SSR estimates have been derived recently from the geostationary satellite observations - the Multi-functional Transport Satellite (MTSAT). This SSR estimation is based on updating an existing physical model, the UMD-SRB (University of Maryland Surface Radiation Budget) which is the basis of the well-known GEWEX-SRB model. In the updated framework introduced is the high-resolution Global Land Surface Broadband Albedo Product (GLASS) with spatial continuity. The developed SSR estimates are demonstrated at different temporal resolutions over the TP and are evaluated against ground observations and other satellite products from: (1) China Meteorological Administration (CMA) radiation stations in TP; (2) three TP radiation stations contributed from the Institute of Tibetan Plateau Research; (3) and the universal used satellite products (i.e. ISCCP-FD, GEWEX-SRB) in relatively low spatial resolution (0.5º-2.5º) and temporal resolution (3-hourly, daily, or monthly).

Models and observations of foam coverage and bubble content in the surf zone

NASA Astrophysics Data System (ADS)

Kirby, J. T.; Shi, F.; Holman, R. A.

2010-12-01

Optical and acoustical observations and communications are hampered in the nearshore by the presence of bubbles and foam generated by breaking waves. Bubble clouds in the water column provide a highly variable (both spatially and temporally) obstacle to direct acoustic and optical paths. Persistent foam riding on the water surface creates a primary occlusion of optical penetration into the water column. In an effort to better understand and predict the level of bubble and foam content in the surfzone, we have been pursuing the development of a detailed phase resolved model of fluid and gaseous components of the water column, using a Navier-Stokes/VOF formulation extended to include a multiphase description of polydisperse bubble populations. This sort of modeling provides a detailed description of large scale turbulent structures and associated bubble transport mechanisms under breaking wave crests. The modeling technique is too computationally intensive, however, to provide a wider-scale description of large surfzone regions. In order to approach the larger scale problem, we are developing a model for spatial and temporal distribution of foam and bubbles within the framework of a Boussinesq model. The basic numerical framework for the code is described by Shi et al (2010, this conference). Bubble effects are incorporated both in the mass and momentum balances for weakly dispersive, fully nonlinear waves, with spatial and temporal bubble distributions parameterized based on the VOF modeling and measurements and tied to the computed rate of dissipation of energy during breaking. A model of a foam layer on the water surface is specified using a shallow water formulation. Foam mass conservation includes source and sink terms representing outgassing of the water column, direct foam generation due to surface agitation, and erosion due to bubble bursting. The foam layer motion in the plane of the water surface arises due to a balance of drag forces due to wind and water column motion. Preliminary steps to calibrate and verify the resulting models will be taken based on results to be collected during the Surf Zone Optics experiment at Duck, NC in September 2010. Initial efforts will focus on an examination of breaking wave patterns and persistent foam distributions, using ARGUS imagery.

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.

Assessment of Surface Air Temperature over China Using Multi-criterion Model Ensemble Framework

NASA Astrophysics Data System (ADS)

Li, J.; Zhu, Q.; Su, L.; He, X.; Zhang, X.

2017-12-01

The General Circulation Models (GCMs) are designed to simulate the present climate and project future trends. It has been noticed that the performances of GCMs are not always in agreement with each other over different regions. Model ensemble techniques have been developed to post-process the GCMs' outputs and improve their prediction reliabilities. To evaluate the performances of GCMs, root-mean-square error, correlation coefficient, and uncertainty are commonly used statistical measures. However, the simultaneous achievements of these satisfactory statistics cannot be guaranteed when using many model ensemble techniques. Meanwhile, uncertainties and future scenarios are critical for Water-Energy management and operation. In this study, a new multi-model ensemble framework was proposed. It uses a state-of-art evolutionary multi-objective optimization algorithm, termed Multi-Objective Complex Evolution Global Optimization with Principle Component Analysis and Crowding Distance (MOSPD), to derive optimal GCM ensembles and demonstrate the trade-offs among various solutions. Such trade-off information was further analyzed with a robust Pareto front with respect to different statistical measures. A case study was conducted to optimize the surface air temperature (SAT) ensemble solutions over seven geographical regions of China for the historical period (1900-2005) and future projection (2006-2100). The results showed that the ensemble solutions derived with MOSPD algorithm are superior over the simple model average and any single model output during the historical simulation period. For the future prediction, the proposed ensemble framework identified that the largest SAT change would occur in the South Central China under RCP 2.6 scenario, North Eastern China under RCP 4.5 scenario, and North Western China under RCP 8.5 scenario, while the smallest SAT change would occur in the Inner Mongolia under RCP 2.6 scenario, South Central China under RCP 4.5 scenario, and South Central China under RCP 8.5 scenario.

Surface-supported metal-organic framework thin films: fabrication methods, applications, and challenges.

PubMed

Liu, Jinxuan; Wöll, Christof

2017-10-02

Surface-supported metal-organic framework thin films are receiving increasing attention as a novel form of nanotechnology. New deposition techniques that enable the control of the film thickness, homogeneity, morphology, and dimensions with a huge number of metal-organic framework compounds offer tremendous opportunities in a number of different application fields. In response to increasing demands for environmental sustainability and cleaner energy, much effort in recent years has been devoted to the development of MOF thin films for applications in photovoltaics, CO 2 reduction, energy storage, water splitting, and electronic devices, as well as for the fabrication of membranes. Although existing applications are promising and encouraging, MOF thin films still face numerous challenges, including the need for a more thorough understanding of the thin-film growth mechanism, stability of the internal and external interfaces, strategies for doping and models for charge carrier transport. In this paper, we review the recent advances in MOF thin films, including fabrication and patterning strategies and existing nanotechnology applications. We conclude by listing the most attractive future opportunities as well as the most urgent challenges.

Overdenture retaining bar stress distribution: a finite-element analysis.

PubMed

Caetano, Conrado Reinoldes; Mesquita, Marcelo Ferraz; Consani, Rafael Leonardo Xediek; Correr-Sobrinho, Lourenço; Dos Santos, Mateus Bertolini Fernandes

2015-05-01

Evaluate the stress distribution on the peri-implant bone tissue and prosthetic components of bar-clip retaining systems for overdentures presenting different implant inclinations, vertical misfit and framework material. Three-dimensional models of a jaw and an overdenture retained by two implants and a bar-clip attachment were modeled using specific software (SolidWorks 2010). The studied variables were: latero-lateral inclination of one implant (-10°, -5°, 0°, +5°, +10°); vertical misfit on the other implant (50, 100, 200 µm); and framework material (Au type IV, Ag-Pd, Ti cp, Co-Cr). Solid models were imported into mechanical simulation software (ANSYS Workbench 11). All nodes on the bone's external surface were constrained and a displacement was applied to simulate the settling of the framework on the ill-fitted component. Von Mises stress for the prosthetic components and maximum principal stress to the bone tissue were evaluated. The +10° inclination presented the worst biomechanical behavior, promoting the highest stress values on the bar framework and peri-implant bone tissue. The -5° group presented the lowest stress values on the prosthetic components and the lowest stress value on peri-implant bone tissue was observed in -10°. Increased vertical misfit caused an increase on the stress values in all evaluated structures. Stiffer framework materials caused a considerable stress increase in the framework itself, prosthetic screw of the fitted component and peri-implant bone tissue. Inclination of one implant associated with vertical misfit caused a relevant effect on the stress distribution in bar-clip retained overdentures. Different framework materials promoted increased levels of stress in all the evaluated structures.

Modeling of 1.5 μm range gated imaging for small surface vessel identification

NASA Astrophysics Data System (ADS)

Espinola, Richard L.; Steinvall, Ove; Elmquist, Magnus; Karlsson, Kjell

2010-10-01

Within the framework of the NATO group (NATO SET-132/RTG-72) on imaging ladars, a test was performed to collect simultaneous multi-mode LADAR signatures of maritime objects entering and leaving San Diego Harbor. Beside ladars, passive sensors were also employed during the test which occurred during April 2009 from Point Loma and the harbor in San Diego. This paper will report on 1.5 μm gated imaging on a number of small civilian surface vessels with the aim to present human perception experimental results and comparisons with sensor performance models developed by US Army RDECOM CERDEC NVESD. We use controlled human perception tests to measure target identification performance and compare the experimental results with model predictions.

A framework for breast cancer visualization using augmented reality x-ray vision technique in mobile technology

NASA Astrophysics Data System (ADS)

Rahman, Hameedur; Arshad, Haslina; Mahmud, Rozi; Mahayuddin, Zainal Rasyid

2017-10-01

Breast Cancer patients who require breast biopsy has increased over the past years. Augmented Reality guided core biopsy of breast has become the method of choice for researchers. However, this cancer visualization has limitations to the extent of superimposing the 3D imaging data only. In this paper, we are introducing an Augmented Reality visualization framework that enables breast cancer biopsy image guidance by using X-Ray vision technique on a mobile display. This framework consists of 4 phases where it initially acquires the image from CT/MRI and process the medical images into 3D slices, secondly it will purify these 3D grayscale slices into 3D breast tumor model using 3D modeling reconstruction technique. Further, in visualization processing this virtual 3D breast tumor model has been enhanced using X-ray vision technique to see through the skin of the phantom and the final composition of it is displayed on handheld device to optimize the accuracy of the visualization in six degree of freedom. The framework is perceived as an improved visualization experience because the Augmented Reality x-ray vision allowed direct understanding of the breast tumor beyond the visible surface and direct guidance towards accurate biopsy targets.

Experimental and Numerical Analysis of Microstructures and Stress States of Shot-Peened GH4169 Superalloys

NASA Astrophysics Data System (ADS)

Hu, Dianyin; Gao, Ye; Meng, Fanchao; Song, Jun; Wang, Rongqiao

2018-04-01

Combining experiments and finite element analysis (FEA), a systematic study was performed to analyze the microstructural evolution and stress states of shot-peened GH4169 superalloy over a variety of peening intensities and coverages. A dislocation density evolution model was integrated into the representative volume FEA model to quantitatively predict microstructural evolution in the surface layers and compared with experimental results. It was found that surface roughness and through-depth residual stress profile are more sensitive to shot-peening intensity compared to coverage due to the high kinetic energy involved. Moreover, a surface nanocrystallization layer was discovered in the top surface region of GH4169 for all shot-peening conditions. However, the grain refinement was more intensified under high shot-peening coverage, under which enough time was permitted for grain refinement. The grain size gradient predicted by the numerical framework showed good agreement with experimental observations.

CAUSES: Attribution of Surface Radiation Biases in NWP and Climate Models near the U.S. Southern Great Plains

DOE PAGES

Van Weverberg, K.; Morcrette, C. J.; Petch, J.; ...

2018-02-28

Many Numerical Weather Prediction (NWP) and climate models exhibit too warm lower tropospheres near the midlatitude continents. The warm bias has been shown to coincide with important surface radiation biases that likely play a critical role in the inception or the growth of the warm bias. This paper presents an attribution study on the net radiation biases in nine model simulations, performed in the framework of the CAUSES project (Clouds Above the United States and Errors at the Surface). Contributions from deficiencies in the surface properties, clouds, water vapor, and aerosols are quantified, using an array of radiation measurement stationsmore » near the Atmospheric Radiation Measurement Southern Great Plains site. Furthermore, an in-depth analysis is shown to attribute the radiation errors to specific cloud regimes. The net surface shortwave radiation is overestimated in all models throughout most of the simulation period. Cloud errors are shown to contribute most to this overestimation, although nonnegligible contributions from the surface albedo exist in most models. Missing deep cloud events and/or simulating deep clouds with too weak cloud radiative effects dominate in the cloud-related radiation errors. Some models have compensating errors between excessive occurrence of deep cloud but largely underestimating their radiative effect, while other models miss deep cloud events altogether. Surprisingly, even the latter models tend to produce too much and too frequent afternoon surface precipitation. This suggests that rather than issues with the triggering of deep convection, cloud radiative deficiencies are related to too weak convective cloud detrainment and too large precipitation efficiencies.« less

CAUSES: Attribution of Surface Radiation Biases in NWP and Climate Models near the U.S. Southern Great Plains

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

Van Weverberg, K.; Morcrette, C. J.; Petch, J.

Many Numerical Weather Prediction (NWP) and climate models exhibit too warm lower tropospheres near the midlatitude continents. The warm bias has been shown to coincide with important surface radiation biases that likely play a critical role in the inception or the growth of the warm bias. This paper presents an attribution study on the net radiation biases in nine model simulations, performed in the framework of the CAUSES project (Clouds Above the United States and Errors at the Surface). Contributions from deficiencies in the surface properties, clouds, water vapor, and aerosols are quantified, using an array of radiation measurement stationsmore » near the Atmospheric Radiation Measurement Southern Great Plains site. Furthermore, an in-depth analysis is shown to attribute the radiation errors to specific cloud regimes. The net surface shortwave radiation is overestimated in all models throughout most of the simulation period. Cloud errors are shown to contribute most to this overestimation, although nonnegligible contributions from the surface albedo exist in most models. Missing deep cloud events and/or simulating deep clouds with too weak cloud radiative effects dominate in the cloud-related radiation errors. Some models have compensating errors between excessive occurrence of deep cloud but largely underestimating their radiative effect, while other models miss deep cloud events altogether. Surprisingly, even the latter models tend to produce too much and too frequent afternoon surface precipitation. This suggests that rather than issues with the triggering of deep convection, cloud radiative deficiencies are related to too weak convective cloud detrainment and too large precipitation efficiencies.« less

CAUSES: Attribution of Surface Radiation Biases in NWP and Climate Models near the U.S. Southern Great Plains

NASA Astrophysics Data System (ADS)

Van Weverberg, K.; Morcrette, C. J.; Petch, J.; Klein, S. A.; Ma, H.-Y.; Zhang, C.; Xie, S.; Tang, Q.; Gustafson, W. I.; Qian, Y.; Berg, L. K.; Liu, Y.; Huang, M.; Ahlgrimm, M.; Forbes, R.; Bazile, E.; Roehrig, R.; Cole, J.; Merryfield, W.; Lee, W.-S.; Cheruy, F.; Mellul, L.; Wang, Y.-C.; Johnson, K.; Thieman, M. M.

2018-04-01

Many Numerical Weather Prediction (NWP) and climate models exhibit too warm lower tropospheres near the midlatitude continents. The warm bias has been shown to coincide with important surface radiation biases that likely play a critical role in the inception or the growth of the warm bias. This paper presents an attribution study on the net radiation biases in nine model simulations, performed in the framework of the CAUSES project (Clouds Above the United States and Errors at the Surface). Contributions from deficiencies in the surface properties, clouds, water vapor, and aerosols are quantified, using an array of radiation measurement stations near the Atmospheric Radiation Measurement Southern Great Plains site. Furthermore, an in-depth analysis is shown to attribute the radiation errors to specific cloud regimes. The net surface shortwave radiation is overestimated in all models throughout most of the simulation period. Cloud errors are shown to contribute most to this overestimation, although nonnegligible contributions from the surface albedo exist in most models. Missing deep cloud events and/or simulating deep clouds with too weak cloud radiative effects dominate in the cloud-related radiation errors. Some models have compensating errors between excessive occurrence of deep cloud but largely underestimating their radiative effect, while other models miss deep cloud events altogether. Surprisingly, even the latter models tend to produce too much and too frequent afternoon surface precipitation. This suggests that rather than issues with the triggering of deep convection, cloud radiative deficiencies are related to too weak convective cloud detrainment and too large precipitation efficiencies.

Development of an Integrated Modeling Framework for Simulations of Coastal Processes in Deltaic Environments Using High-Performance Computing

DTIC Science & Technology

2009-01-01

attenuation and mass transport of a water -mud system due to a solitary wave on the free surface has been modeled by using the Chebyshev-Chebyshev...in Lagrangian coordinates and perturbation equations for shallow water waves were 3 derived. An iteration-by-subdomain technique was introduced to...found. Although the model is focused on solitary waves and Newtonian fluid-mud, the methodology can be extended to oscillatory, nonlinear water waves

A Bayesian Framework for Coupled Estimation of Key Unknown Parameters of Land Water and Energy Balance Equations

NASA Astrophysics Data System (ADS)

Farhadi, L.; Abdolghafoorian, A.

2015-12-01

The land surface is a key component of climate system. It controls the partitioning of available energy at the surface between sensible and latent heat, and partitioning of available water between evaporation and runoff. Water and energy cycle are intrinsically coupled through evaporation, which represents a heat exchange as latent heat flux. Accurate estimation of fluxes of heat and moisture are of significant importance in many fields such as hydrology, climatology and meteorology. In this study we develop and apply a Bayesian framework for estimating the key unknown parameters of terrestrial water and energy balance equations (i.e. moisture and heat diffusion) and their uncertainty in land surface models. These equations are coupled through flux of evaporation. The estimation system is based on the adjoint method for solving a least-squares optimization problem. The cost function consists of aggregated errors on state (i.e. moisture and temperature) with respect to observation and parameters estimation with respect to prior values over the entire assimilation period. This cost function is minimized with respect to parameters to identify models of sensible heat, latent heat/evaporation and drainage and runoff. Inverse of Hessian of the cost function is an approximation of the posterior uncertainty of parameter estimates. Uncertainty of estimated fluxes is estimated by propagating the uncertainty for linear and nonlinear function of key parameters through the method of First Order Second Moment (FOSM). Uncertainty analysis is used in this method to guide the formulation of a well-posed estimation problem. Accuracy of the method is assessed at point scale using surface energy and water fluxes generated by the Simultaneous Heat and Water (SHAW) model at the selected AmeriFlux stations. This method can be applied to diverse climates and land surface conditions with different spatial scales, using remotely sensed measurements of surface moisture and temperature states

Development of an analytical model for estimating global terrestrial carbon assimilation using a rate-limitation framework

NASA Astrophysics Data System (ADS)

Donohue, Randall; Yang, Yuting; McVicar, Tim; Roderick, Michael

2016-04-01

A fundamental question in climate and ecosystem science is "how does climate regulate the land surface carbon budget?" To better answer that question, here we develop an analytical model for estimating mean annual terrestrial gross primary productivity (GPP), which is the largest carbon flux over land, based on a rate-limitation framework. Actual GPP (climatological mean from 1982 to 2010) is calculated as a function of the balance between two GPP potentials defined by the climate (i.e., precipitation and solar radiation) and a third parameter that encodes other environmental variables and modifies the GPP-climate relationship. The developed model was tested at three spatial scales using different GPP sources, i.e., (1) observed GPP from 94 flux-sites, (2) modelled GPP (using the model-tree-ensemble approach) at 48654 (0.5 degree) grid-cells and (3) at 32 large catchments across the globe. Results show that the proposed model could account for the spatial GPP patterns, with a root-mean-square error of 0.70, 0.65 and 0.3 g C m-2 d-1 and R2 of 0.79, 0.92 and 0.97 for the flux-site, grid-cell and catchment scales, respectively. This analytical GPP model shares a similar form with the Budyko hydroclimatological model, which opens the possibility of a general analytical framework to analyze the linked carbon-water-energy cycles.

Examination of Soil Moisture Retrieval Using SIR-C Radar Data and a Distributed Hydrological Model

NASA Technical Reports Server (NTRS)

Hsu, A. Y.; ONeill, P. E.; Wood, E. F.; Zion, M.

1997-01-01

A major objective of soil moisture-related hydrological-research during NASA's SIR-C/X-SAR mission was to determine and compare soil moisture patterns within humid watersheds using SAR data, ground-based measurements, and hydrologic modeling. Currently available soil moisture-inversion methods using active microwave data are only accurate when applied to bare and slightly vegetated surfaces. Moreover, as the surface dries down, the number of pixels that can provide estimated soil moisture by these radar inversion methods decreases, leading to less accuracy and, confidence in the retrieved soil moisture fields at the watershed scale. The impact of these errors in microwave- derived soil moisture on hydrological modeling of vegetated watersheds has yet to be addressed. In this study a coupled water and energy balance model operating within a topographic framework is used to predict surface soil moisture for both bare and vegetated areas. In the first model run, the hydrological model is initialized using a standard baseflow approach, while in the second model run, soil moisture values derived from SIR-C radar data are used for initialization. The results, which compare favorably with ground measurements, demonstrate the utility of combining radar-derived surface soil moisture information with basin-scale hydrological modeling.

Digitally Milled Metal Framework for Fixed Complete Denture with Metal Occlusal Surfaces: A Design Concept.

PubMed

AlBader, Bader; AlHelal, Abdulaziz; Proussaefs, Periklis; Garbacea, Antonela; Kattadiyil, Mathew T; Lozada, Jaime

Implant-supported fixed complete dentures, often referred to as hybrid prostheses, have been associated with high implant survival rates but also with a high incidence of mechanical prosthetic complications. The most frequent of these complications have been fracture and wear of the veneering material. The proposed design concept incorporates the occlusal surfaces of the posterior teeth as part of a digital milled metal framework by designing the posterior first molars in full contour as part of the framework. The framework can be designed, scanned, and milled from a titanium blank using a milling machine. Acrylic resin teeth can then be placed on the framework by conventional protocol. The metal occlusal surfaces of the titanium-countered molars will be at centric occlusion. It is hypothesized that metal occlusal surfaces in the posterior region may reduce occlusal wear in these types of prostheses. When the proposed design protocol is followed, the connection between the metal frame and the cantilever part of the prosthesis is reinforced, which may lead to fewer fractures of the metal framework.

Combining 3d Volume and Mesh Models for Representing Complicated Heritage Buildings

NASA Astrophysics Data System (ADS)

Tsai, F.; Chang, H.; Lin, Y.-W.

2017-08-01

This study developed a simple but effective strategy to combine 3D volume and mesh models for representing complicated heritage buildings and structures. The idea is to seamlessly integrate 3D parametric or polyhedral models and mesh-based digital surfaces to generate a hybrid 3D model that can take advantages of both modeling methods. The proposed hybrid model generation framework is separated into three phases. Firstly, after acquiring or generating 3D point clouds of the target, these 3D points are partitioned into different groups. Secondly, a parametric or polyhedral model of each group is generated based on plane and surface fitting algorithms to represent the basic structure of that region. A "bare-bones" model of the target can subsequently be constructed by connecting all 3D volume element models. In the third phase, the constructed bare-bones model is used as a mask to remove points enclosed by the bare-bones model from the original point clouds. The remaining points are then connected to form 3D surface mesh patches. The boundary points of each surface patch are identified and these boundary points are projected onto the surfaces of the bare-bones model. Finally, new meshes are created to connect the projected points and original mesh boundaries to integrate the mesh surfaces with the 3D volume model. The proposed method was applied to an open-source point cloud data set and point clouds of a local historical structure. Preliminary results indicated that the reconstructed hybrid models using the proposed method can retain both fundamental 3D volume characteristics and accurate geometric appearance with fine details. The reconstructed hybrid models can also be used to represent targets in different levels of detail according to user and system requirements in different applications.

Fundamental Studies of Crystal Growth of Microporous Materials

NASA Technical Reports Server (NTRS)

Dutta, P.; George, M.; Ramachandran, N.; Schoeman, B.; Curreri, Peter A. (Technical Monitor)

2002-01-01

Microporous materials are framework structures with well-defined porosity, often of molecular dimensions. Zeolites contain aluminum and silicon atoms in their framework and are the most extensively studied amongst all microporous materials. Framework structures with P, Ga, Fe, Co, Zn, B, Ti and a host of other elements have also been made. Typical synthesis of microporous materials involve mixing the framework elements (or compounds, thereof) in a basic solution, followed by aging in some cases and then heating at elevated temperatures. This process is termed hydrothermal synthesis, and involves complex chemical and physical changes. Because of a limited understanding of this process, most synthesis advancements happen by a trial and error approach. There is considerable interest in understanding the synthesis process at a molecular level with the expectation that eventually new framework structures will be built by design. The basic issues in the microporous materials crystallization process include: (1) Nature of the molecular units responsible for the crystal nuclei formation; (2) Nature of the nuclei and nucleation process; (3) Growth process of the nuclei into crystal; (4) Morphological control and size of the resulting crystal; (5) Surface structure of the resulting crystals; (6) Transformation of frameworks into other frameworks or condensed structures. The NASA-funded research described in this report focuses to varying degrees on all of the above issues and has been described in several publications. Following is the presentation of the highlights of our current research program. The report is divided into five sections: (1) Fundamental aspects of the crystal growth process; (2) Morphological and Surface properties of crystals; (3) Crystal dissolution and transformations; (4) Modeling of Crystal Growth; (5) Relevant Microgravity Experiments.

Near-Surface Wind Predictions in Complex Terrain with a CFD Approach Optimized for Atmospheric Boundary Layer Flows

NASA Astrophysics Data System (ADS)

Wagenbrenner, N. S.; Forthofer, J.; Butler, B.; Shannon, K.

2014-12-01

Near-surface wind predictions are important for a number of applications, including transport and dispersion, wind energy forecasting, and wildfire behavior. Researchers and forecasters would benefit from a wind model that could be readily applied to complex terrain for use in these various disciplines. Unfortunately, near-surface winds in complex terrain are not handled well by traditional modeling approaches. Numerical weather prediction models employ coarse horizontal resolutions which do not adequately resolve sub-grid terrain features important to the surface flow. Computational fluid dynamics (CFD) models are increasingly being applied to simulate atmospheric boundary layer (ABL) flows, especially in wind energy applications; however, the standard functionality provided in commercial CFD models is not suitable for ABL flows. Appropriate CFD modeling in the ABL requires modification of empirically-derived wall function parameters and boundary conditions to avoid erroneous streamwise gradients due to inconsistences between inlet profiles and specified boundary conditions. This work presents a new version of a near-surface wind model for complex terrain called WindNinja. The new version of WindNinja offers two options for flow simulations: 1) the native, fast-running mass-consistent method available in previous model versions and 2) a CFD approach based on the OpenFOAM modeling framework and optimized for ABL flows. The model is described and evaluations of predictions with surface wind data collected from two recent field campaigns in complex terrain are presented. A comparison of predictions from the native mass-consistent method and the new CFD method is also provided.

Optimal Experimental Design of Borehole Locations for Bayesian Inference of Past Ice Sheet Surface Temperatures

NASA Astrophysics Data System (ADS)

Davis, A. D.; Huan, X.; Heimbach, P.; Marzouk, Y.

2017-12-01

Borehole data are essential for calibrating ice sheet models. However, field expeditions for acquiring borehole data are often time-consuming, expensive, and dangerous. It is thus essential to plan the best sampling locations that maximize the value of data while minimizing costs and risks. We present an uncertainty quantification (UQ) workflow based on rigorous probability framework to achieve these objectives. First, we employ an optimal experimental design (OED) procedure to compute borehole locations that yield the highest expected information gain. We take into account practical considerations of location accessibility (e.g., proximity to research sites, terrain, and ice velocity may affect feasibility of drilling) and robustness (e.g., real-time constraints such as weather may force researchers to drill at sub-optimal locations near those originally planned), by incorporating a penalty reflecting accessibility as well as sensitivity to deviations from the optimal locations. Next, we extract vertical temperature profiles from these boreholes and formulate a Bayesian inverse problem to reconstruct past surface temperatures. Using a model of temperature advection/diffusion, the top boundary condition (corresponding to surface temperatures) is calibrated via efficient Markov chain Monte Carlo (MCMC). The overall procedure can then be iterated to choose new optimal borehole locations for the next expeditions.Through this work, we demonstrate powerful UQ methods for designing experiments, calibrating models, making predictions, and assessing sensitivity--all performed under an uncertain environment. We develop a theoretical framework as well as practical software within an intuitive workflow, and illustrate their usefulness for combining data and models for environmental and climate research.

Curtailing Agricultural Pumping in an Era of Extended Drought: Infusing Science and Leagality into a Common Hydrologic Framework

NASA Astrophysics Data System (ADS)

Carroll, R. W. H.; Pohll, G.; Benedict, J.; Felling, R.

2016-12-01

Many arid and semi-arid agricultural systems of the Great Basin in the western United States depend on supplemental groundwater pumping to augment diminished surface water flows during periods of drought. As droughts become longer and more severe in the region, unprecedented drawdown in these aquifer systems has occurred with legal and environmental implications on both surface and groundwater. The Walker River in the Great Basin supports extensive agriculture in the region and is the sole perennial stream to one of the few desert terminal lakes in North America. Continuous declines in the lake have spurred extensive research into management options to balance demands of agriculture and increase water deliveries to the lake. Smith and Mason Valleys are important agricultural centers within the Walker Basin. In 2015 the region entered its fifth year of drought and both valleys were the focus of curtailment orders to restrict the use of supplemental groundwater rights. To aid management decisions, hydrologic models were developed that simulate complex feedbacks between surface diversions, crop consumptive needs, groundwater recharge, return flow, and groundwater-surface water interactions. Demand-driven pumping that incorporates priority dates and maximum duty allocations are directly input to the hydrologic model to allow an assessment of groundwater curtailment options under a variety of drought scenarios to meet targeted water levels and downstream conveyance of surface water in a legally defensible framework. Hydrologic results using a sliding scale approach to priority based curtailment are presented in the arena of stakeholder participation and response.

SLAM-based dense surface reconstruction in monocular Minimally Invasive Surgery and its application to Augmented Reality.

PubMed

Chen, Long; Tang, Wen; John, Nigel W; Wan, Tao Ruan; Zhang, Jian Jun

2018-05-01

While Minimally Invasive Surgery (MIS) offers considerable benefits to patients, it also imposes big challenges on a surgeon's performance due to well-known issues and restrictions associated with the field of view (FOV), hand-eye misalignment and disorientation, as well as the lack of stereoscopic depth perception in monocular endoscopy. Augmented Reality (AR) technology can help to overcome these limitations by augmenting the real scene with annotations, labels, tumour measurements or even a 3D reconstruction of anatomy structures at the target surgical locations. However, previous research attempts of using AR technology in monocular MIS surgical scenes have been mainly focused on the information overlay without addressing correct spatial calibrations, which could lead to incorrect localization of annotations and labels, and inaccurate depth cues and tumour measurements. In this paper, we present a novel intra-operative dense surface reconstruction framework that is capable of providing geometry information from only monocular MIS videos for geometry-aware AR applications such as site measurements and depth cues. We address a number of compelling issues in augmenting a scene for a monocular MIS environment, such as drifting and inaccurate planar mapping. A state-of-the-art Simultaneous Localization And Mapping (SLAM) algorithm used in robotics has been extended to deal with monocular MIS surgical scenes for reliable endoscopic camera tracking and salient point mapping. A robust global 3D surface reconstruction framework has been developed for building a dense surface using only unorganized sparse point clouds extracted from the SLAM. The 3D surface reconstruction framework employs the Moving Least Squares (MLS) smoothing algorithm and the Poisson surface reconstruction framework for real time processing of the point clouds data set. Finally, the 3D geometric information of the surgical scene allows better understanding and accurate placement AR augmentations based on a robust 3D calibration. We demonstrate the clinical relevance of our proposed system through two examples: (a) measurement of the surface; (b) depth cues in monocular endoscopy. The performance and accuracy evaluations of the proposed framework consist of two steps. First, we have created a computer-generated endoscopy simulation video to quantify the accuracy of the camera tracking by comparing the results of the video camera tracking with the recorded ground-truth camera trajectories. The accuracy of the surface reconstruction is assessed by evaluating the Root Mean Square Distance (RMSD) of surface vertices of the reconstructed mesh with that of the ground truth 3D models. An error of 1.24 mm for the camera trajectories has been obtained and the RMSD for surface reconstruction is 2.54 mm, which compare favourably with previous approaches. Second, in vivo laparoscopic videos are used to examine the quality of accurate AR based annotation and measurement, and the creation of depth cues. These results show the potential promise of our geometry-aware AR technology to be used in MIS surgical scenes. The results show that the new framework is robust and accurate in dealing with challenging situations such as the rapid endoscopy camera movements in monocular MIS scenes. Both camera tracking and surface reconstruction based on a sparse point cloud are effective and operated in real-time. This demonstrates the potential of our algorithm for accurate AR localization and depth augmentation with geometric cues and correct surface measurements in MIS with monocular endoscopes. Copyright © 2018 Elsevier B.V. All rights reserved.

Expansion of the Real-Time SPoRT-Land Information System for NOAA/National Weather Service Situational Awareness and Local Modeling Applications

NASA Technical Reports Server (NTRS)

Case, Jonathan L; White, Kristopher D.

2014-01-01

The NASA Short-term Prediction Research and Transition (SPoRT) Center in Huntsville, AL is running a real-time configuration of the Noah land surface model (LSM) within the NASA Land Information System (LIS) framework (hereafter referred to as the "SPoRT-LIS"). Output from the real-time SPoRT-LIS is used for (1) initializing land surface variables for local modeling applications, and (2) displaying in decision support systems for situational awareness and drought monitoring at select NOAA/National Weather Service (NWS) partner offices. The experimental CONUS run incorporates hourly quantitative precipitation estimation (QPE) from the National Severe Storms Laboratory Multi- Radar Multi-Sensor (MRMS) which will be transitioned into operations at the National Centers for Environmental Prediction (NCEP) in Fall 2014.This paper describes the current and experimental SPoRT-LIS configurations, and documents some of the limitations still remaining through the advent of MRMS precipitation analyses in the SPoRT-LIS land surface model (LSM) simulations.

Diagnosing the Nature of Land-Atmosphere Coupling During the 2006-7 Dry/Wet Extremes in the U. S. Southern Great Plains

NASA Technical Reports Server (NTRS)

Santanello, Joseph A., Jr.; Peters-Lidard, Christa D.; Kumar, Sujay V.; Dong, Xiquan; Kennedy, Aaron D.

2011-01-01

The degree of coupling between the land surface and PBL in NWP models remains largely undiagnosed due to the complex interactions and feedbacks present across a range of scales. In this study, a framework for diagnosing local land-atmosphere coupling (LoCo) is presented using a coupled mesoscale model with observations during the summers of 2006/7 in the U.S. Southern Great Plains. Specifically, the Weather Research and Forecasting (WRF) model has been coupled to NASA's Land Information System (LIS), which enables a suite of PBL and land surface model (LSM) options along provides a flexible and high-resolution representation and initialization of land surface physics and states. This coupling is one component of a larger project to develop a NASA-Unified WRF (NU-WRF) system. A range of diagnostics exploring the feedbacks between soil moisture and precipitation are examined for the dry/wet extremes, along with the sensitivity of PBL-LSM coupling to perturbations in soil moisture.

Estimating radiative feedbacks from stochastic fluctuations in surface temperature and energy imbalance

NASA Astrophysics Data System (ADS)

Proistosescu, C.; Donohoe, A.; Armour, K.; Roe, G.; Stuecker, M. F.; Bitz, C. M.

2017-12-01

Joint observations of global surface temperature and energy imbalance provide for a unique opportunity to empirically constrain radiative feedbacks. However, the satellite record of Earth's radiative imbalance is relatively short and dominated by stochastic fluctuations. Estimates of radiative feedbacks obtained by regressing energy imbalance against surface temperature depend strongly on sampling choices and on assumptions about whether the stochastic fluctuations are primarily forced by atmospheric or oceanic variability (e.g. Murphy and Forster 2010, Dessler 2011, Spencer and Braswell 2011, Forster 2016). We develop a framework around a stochastic energy balance model that allows us to parse the different contributions of atmospheric and oceanic forcing based on their differing impacts on the covariance structure - or lagged regression - of temperature and radiative imbalance. We validate the framework in a hierarchy of general circulation models: the impact of atmospheric forcing is examined in unforced control simulations of fixed sea-surface temperature and slab ocean model versions; the impact of oceanic forcing is examined in coupled simulations with prescribed ENSO variability. With the impact of atmospheric and oceanic forcing constrained, we are able to predict the relationship between temperature and radiative imbalance in a fully coupled control simulation, finding that both forcing sources are needed to explain the structure of the lagged-regression. We further model the dependence of feedback estimates on sampling interval by considering the effects of a finite equilibration time for the atmosphere, and issues of smoothing and aliasing. Finally, we develop a method to fit the stochastic model to the short timeseries of temperature and radiative imbalance by performing a Bayesian inference based on a modified version of the spectral Whittle likelihood. We are thus able to place realistic joint uncertainty estimates on both stochastic forcing and radiative feedbacks derived from observational records. We find that these records are, as of yet, too short to be useful in constraining radiative feedbacks, and we provide estimates of how the uncertainty narrows as a function of record length.

Distortion of CAD-CAM-fabricated implant-fixed titanium and zirconia complete dental prosthesis frameworks.

PubMed

Al-Meraikhi, Hadi; Yilmaz, Burak; McGlumphy, Edwin; Brantley, William A; Johnston, William M

2018-01-01

Computer-aided design and computer-aided manufacturing (CAD-CAM)-fabricated titanium and zirconia implant-supported fixed dental prostheses have become increasingly popular for restoring patients with complete edentulism. However, the distortion level of these frameworks is not well known. The purpose of this in vitro study was to compare the 3-dimensional (3D) distortion of CAD-CAM zirconia and titanium implant-fixed screw-retained complete dental prostheses. A master edentulous model with 4 implants at the positions of the maxillary first molars and canines was used. Multiunit abutments (Nobel Biocare) secured to the model were digitally scanned using scan bodies and a laboratory scanner (S600 ARTI; Zirkonzahn). Titanium (n=5) and zirconia (n=5) frameworks were milled using a CAD-CAM system (Zirkonzahn M1; Zirkonzahn). All frameworks were scanned using an industrial computed tomography (CT) scanner (Nikon/X-Tek XT H 225kV MCT Micro-Focus). The direct CT scans were reconstructed to generate standard tessellation language (STL) files. To calculate the 3D distortion of the frameworks, STL files of the CT scans were aligned to the CAD model using a sum of the least squares best-fit algorithm. Surface comparison points were placed on the CAD model on the midfacial aspect of all teeth. The 3D distortion of each direct scan to the CAD model was calculated. In addition, color maps of the scan-to-CAD comparison were constructed using a ±0.500 mm color scale range. Both materials exhibited distortion; however, no significant difference was found in the amount of distortion from the CAD model between the materials (P=.747). Absolute values of deviations from the CAD model were evident in the x and y plane and less so in the z direction. Zirconia and titanium frameworks showed similar 3D distortion compared with the CAD model for the tested CAD-CAM and implant systems. The distortion was more pronounced in the horizontal and sagittal plane than in the vertical plane. Copyright © 2017 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Targeted Proteomics and Absolute Protein Quantification for the Construction of a Stoichiometric Host-Pathogen Surface Density Model*

PubMed Central

Sjöholm, Kristoffer; Kilsgård, Ola; Teleman, Johan; Happonen, Lotta; Malmström, Lars; Malmström, Johan

2017-01-01

Sepsis is a systemic immune response responsible for considerable morbidity and mortality. Molecular modeling of host-pathogen interactions in the disease state represents a promising strategy to define molecular events of importance for the transition from superficial to invasive infectious diseases. Here we used the Gram-positive bacterium Streptococcus pyogenes as a model system to establish a mass spectrometry based workflow for the construction of a stoichiometric surface density model between the S. pyogenes surface, the surface virulence factor M-protein, and adhered human blood plasma proteins. The workflow relies on stable isotope labeled reference peptides and selected reaction monitoring mass spectrometry analysis of a wild-type strain and an M-protein deficient mutant strain, to generate absolutely quantified protein stoichiometry ratios between S. pyogenes and interacting plasma proteins. The stoichiometry ratios in combination with a novel targeted mass spectrometry method to measure cell numbers enabled the construction of a stoichiometric surface density model using protein structures available from the protein data bank. The model outlines the topology and density of the host-pathogen protein interaction network on the S. pyogenes bacterial surface, revealing a dense and highly organized protein interaction network. Removal of the M-protein from S. pyogenes introduces a drastic change in the network topology, validated by electron microscopy. We propose that the stoichiometric surface density model of S. pyogenes in human blood plasma represents a scalable framework that can continuously be refined with the emergence of new results. Future integration of new results will improve the understanding of protein-protein interactions and their importance for bacterial virulence. Furthermore, we anticipate that the general properties of the developed workflow will facilitate the production of stoichiometric surface density models for other types of host-pathogen interactions. PMID:28183813

Thermodynamic analysis of Bacillus subtilis endospore protonation using isothermal titration calorimetry

NASA Astrophysics Data System (ADS)

Harrold, Zoë R.; Gorman-Lewis, Drew

2013-05-01

Bacterial proton and metal adsorption reactions have the capacity to affect metal speciation and transport in aqueous environments. We coupled potentiometric titration and isothermal titration calorimetry (ITC) analyses to study Bacillus subtilis spore-proton adsorption. We modeled the potentiometric data using a four and five-site non-electrostatic surface complexation model (NE-SCM). Heats of spore surface protonation from coupled ITC analyses were used to determine site specific enthalpies of protonation based on NE-SCMs. The five-site model resulted in a substantially better model fit for the heats of protonation but did not significantly improve the potentiometric titration model fit. The improvement observed in the five-site protonation heat model suggests the presence of a highly exothermic protonation reaction circa pH 7 that cannot be resolved in the less sensitive potentiometric data. From the log Ks and enthalpies we calculated corresponding site specific entropies. Log Ks and site concentrations describing spore surface protonation are statistically equivalent to B. subtilis cell surface protonation constants. Spore surface protonation enthalpies, however, are more exothermic relative to cell based adsorption suggesting a different bonding environment. The thermodynamic parameters defined in this study provide insight on molecular scale spore-surface protonation reactions. Coupled ITC and potentiometric titrations can reveal highly exothermic, and possibly endothermic, adsorption reactions that are overshadowed in potentiometric models alone. Spore-proton adsorption NE-SCMs derived in this study provide a framework for future metal adsorption studies.

Droplet Deformation in an Extensional Flow: The Role of Surfactant Physical Chemistry

NASA Technical Reports Server (NTRS)

Stebe, Kathleen J.

1996-01-01

Surfactant-induced Marangoni effects strongly alter the stresses exerted along fluid particle interfaces. In low gravity processes, these stresses can dictate the system behavior. The dependence of Marangoni effects on surfactant physical chemistry is not understood, severely impacting our ability to predict and control fluid particle flows. A droplet in an extensional flow allows the controlled study of stretching and deforming interfaces. The deformations of the drop allow both Marangoni stresses, which resist tangential shear, and Marangoni elasticities, which resist surface dilatation, to develop. This flow presents an ideal model system for studying these effects. Prior surfactant-related work in this flow considered a linear dependence of the surface tension on the surface concentration, valid only at dilute surface concentrations, or a non-linear framework at concentrations sufficiently dilute that the linear approximation was valid. The linear framework becomes inadequate for several reasons. The finite dimensions of surfactant molecules must be taken into account with a model that includes surfaces saturation. Nonideal interactions between adsorbed surfactant molecules alter the partitioning of surfactant between the bulk and the interface, the dynamics of surfactant adsorptive/desorptive exchange, and the sensitivity of the surface tension to adsorbed surfactant. For example, cohesion between hydrocarbon chains favors strong adsorption. Cohesion also slows the rate of desorption from interfaces, and decreases the sensitivity of the surface tension to adsorbed surfactant. Strong cohesive interactions result in first order surface phase changes with a plateau in the surface tension vs surface concentration. Within this surface concentration range, the surface tension is decoupled from surface concentration gradients. We are engaged in the study of the role of surfactant physical chemistry in determining the Marangoni stresses on a drop in an extensional flow in a numerical and experimental program. Using surfactants whose dynamics and equilibrium behavior have been characterized in our laboratory, drop deformation will be studied in ground-based experiment. In an accompanying numerical study, predictive drop deformations will be determined based on the isotherm and equation of state determined in our laboratory. This work will improve our abilities to predict and control all fluid particle flows.

Olsalazine-Based Metal-Organic Frameworks as Biocompatible Platforms for H2 Adsorption and Drug Delivery.

PubMed

Levine, Dana J; Runčevski, Tomče; Kapelewski, Matthew T; Keitz, Benjamin K; Oktawiec, Julia; Reed, Douglas A; Mason, Jarad A; Jiang, Henry Z H; Colwell, Kristen A; Legendre, Christina M; FitzGerald, Stephen A; Long, Jeffrey R

2016-08-17

The drug olsalazine (H4olz) was employed as a ligand to synthesize a new series of mesoporous metal-organic frameworks that are expanded analogues of the well-known M2(dobdc) materials (dobdc(4-) = 2,5-dioxido-1,4-benzenedicarboxylate; M-MOF-74). The M2(olz) frameworks (M = Mg, Fe, Co, Ni, and Zn) exhibit high surface areas with large hexagonal pore apertures that are approximately 27 Å in diameter. Variable temperature H2 adsorption isotherms revealed strong adsorption at the open metal sites, and in situ infrared spectroscopy experiments on Mg2(olz) and Ni2(olz) were used to determine site-specific H2 binding enthalpies. In addition to its capabilities for gas sorption, the highly biocompatible Mg2(olz) framework was also evaluated as a platform for the delivery of olsalazine and other encapsulated therapeutics. The Mg2(olz) material (86 wt % olsalazine) was shown to release the therapeutic linker through dissolution of the framework under simulated physiological conditions. Furthermore, Mg2(olz) was used to encapsulate phenethylamine (PEA), a model drug for a broad class of bioactive compounds. Under simulated physiological conditions, Mg2(olz)(PEA)2 disassembled to release PEA from the pores and olsalazine from the framework itself, demonstrating that multiple therapeutic components can be delivered together at different rates. The low toxicity, high surface areas, and coordinatively unsaturated metal sites make these M2(olz) materials promising for a range of potential applications, including drug delivery in the treatment of gastrointestinal diseases.

Olsalazine-Based Metal–Organic Frameworks as Biocompatible Platforms for H 2 Adsorption and Drug Delivery

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

Levine, Dana J.; Runčevski, Tomče; Kapelewski, Matthew T.

The drug olsalazine (H4olz) was employed as a ligand to synthesize a new series of mesoporous metal–organic frameworks that are expanded analogues of the well-known M2(dobdc) materials (dobdc4– = 2,5-dioxido-1,4-benzenedicarboxylate; M-MOF-74). The M2(olz) frameworks (M = Mg, Fe, Co, Ni, and Zn) exhibit high surface areas with large hexagonal pore apertures that are approximately 27 Å in diameter. Variable temperature H2 adsorption isotherms revealed strong adsorption at the open metal sites, and in situ infrared spectroscopy experiments on Mg2(olz) and Ni2(olz) were used to determine site-specific H2 binding enthalpies. In addition to its capabilities for gas sorption, the highly biocompatiblemore » Mg2(olz) framework was also evaluated as a platform for the delivery of olsalazine and other encapsulated therapeutics. The Mg2(olz) material (86 wt % olsalazine) was shown to release the therapeutic linker through dissolution of the framework under simulated physiological conditions. Furthermore, Mg2(olz) was used to encapsulate phenethylamine (PEA), a model drug for a broad class of bioactive compounds. Under simulated physiological conditions, Mg2(olz)(PEA)2 disassembled to release PEA from the pores and olsalazine from the framework itself, demonstrating that multiple therapeutic components can be delivered together at different rates. The low toxicity, high surface areas, and coordinatively unsaturated metal sites make these M2(olz) materials promising for a range of potential applications, including drug delivery in the treatment of gastrointestinal diseases.« less

A Community Framework for Integrative, Coupled Modeling of Human-Earth Systems

NASA Astrophysics Data System (ADS)

Barton, C. M.; Nelson, G. C.; Tucker, G. E.; Lee, A.; Porter, C.; Ullah, I.; Hutton, E.; Hoogenboom, G.; Rogers, K. G.; Pritchard, C.

2017-12-01

We live today in a humanized world, where critical zone dynamics are driven by coupled human and biophysical processes. First generation modeling platforms have been invaluable in providing insight into dynamics of biophysical systems and social systems. But to understand today's humanized planet scientifically and to manage it sustainably, we need integrative modeling of this coupled human-Earth system. To address both scientific and policy questions, we also need modeling that can represent variable combinations of human-Earth system processes at multiple scales. Simply adding more code needed to do this to large, legacy first generation models is impractical, expensive, and will make them even more difficult to evaluate or understand. We need an approach to modeling that mirrors and benefits from the architecture of the complexly coupled systems we hope to model. Building on a series of international workshops over the past two years, we present a community framework to enable and support an ecosystem of diverse models as components that can be interconnected as needed to facilitate understanding of a range of complex human-earth systems interactions. Models are containerized in Docker to make them platform independent. A Basic Modeling Interface and Standard Names ontology (developed by the Community Surface Dynamics Modeling System) is applied to make them interoperable. They are then transformed into RESTful micro-services to allow them to be connected and run in a browser environment. This enables a flexible, multi-scale modeling environment to help address diverse issues with combinations of smaller, focused, component models that are easier to understand and evaluate. We plan to develop, deploy, and maintain this framework for integrated, coupled modeling in an open-source collaborative development environment that can democratize access to advanced technology and benefit from diverse global participation in model development. We also present an initial proof-of-concept of this framework, coupling a widely used agricultural crop model (DSSAT) with a widely used hydrology model (TopoFlow).

Prediction of soil stress-strain response incorporates mobilised shear strength envelope of granitic residual soil

NASA Astrophysics Data System (ADS)

Rahman, Abdul Samad Abdul; Noor, Mohd Jamaludin Md; Ahmad, Juhaizad Bin; Sidek, Norbaya

2017-10-01

The concept of effective stress has been the principal concept in characterizing soil volume change behavior in soil mechanics, the settlement models developed using this concept have been empirical in nature. However, there remain certain unexplained soil volume change behaviors that cannot be explained using the effective stress concept, one such behaviour is the inundation settlement. Studies have begun to indicate the inevitable role of shear strength as a critical element to be incorporated in models to unravel the unexplained soil behaviours. One soil volume change model that applies the concept of effective stress and the shear strength interaction is the Rotational Multiple Yield Surface Framework (RMYSF) model. This model has been developed from the soil-strain behavior under anisotropic stress condition. Hence, the RMYSF actually measure the soil actual elasto-plastic response to stress rather than assuming it to be fully elastic or plastic as normally perceived by the industry. The frameworks measures the increase in the mobilize shear strength when the soil undergo anisotropic settlement.

Conjugate Analysis of Two-Dimensional Ablation and Pyrolysis in Rocket Nozzles

NASA Astrophysics Data System (ADS)

Cross, Peter G.

The development of a methodology and computational framework for performing conjugate analyses of transient, two-dimensional ablation of pyrolyzing materials in rocket nozzle applications is presented. This new engineering methodology comprehensively incorporates fluid-thermal-chemical processes relevant to nozzles and other high temperature components, making it possible, for the first time, to rigorously capture the strong interactions and interdependencies that exist between the reacting flowfield and the ablating material. By basing thermal protection system engineering more firmly on first principles, improved analysis accuracy can be achieved. The computational framework developed in this work couples a multi-species, reacting flow solver to a two-dimensional material response solver. New capabilities are added to the flow solver in order to be able to model unique aspects of the flow through solid rocket nozzles. The material response solver is also enhanced with new features that enable full modeling of pyrolyzing, anisotropic materials with a true two-dimensional treatment of the porous flow of the pyrolysis gases. Verification and validation studies demonstrating correct implementation of these new models in the flow and material response solvers are also presented. Five different treatments of the surface energy balance at the ablating wall, with increasing levels of fidelity, are investigated. The Integrated Equilibrium Surface Chemistry (IESC) treatment computes the surface energy balance and recession rate directly from the diffusive fluxes at the ablating wall, without making transport coefficient or unity Lewis number assumptions, or requiring pre-computed surface thermochemistry tables. This method provides the highest level of fidelity, and can inherently account for the effects that recession, wall temperature, blowing, and the presence of ablation product species in the boundary layer have on the flowfield and ablation response. Multiple decoupled and conjugate ablation analysis studies for the HIPPO nozzle test case are presented. Results from decoupled simulations show sensitivity to the wall temperature profile used within the flow solver, indicating the need for conjugate analyses. Conjugate simulations show that the thermal response of the nozzle is relatively insensitive to the choice of the surface energy balance treatment. However, the surface energy balance treatment is found to strongly affect the surface recession predictions. Out of all the methods considered, the IESC treatment produces surface recession predictions with the best agreement to experimental data. These results show that the increased fidelity provided by the proposed conjugate ablation modeling methodology produces improved analysis accuracy, as desired.

Simulation of orographic effects with a Quasi-3-D Multiscale Modeling Framework: Basic algorithm and preliminary results

DOE PAGES

Jung, Joon -Hee

2016-10-11

Here, the global atmospheric models based on the Multi-scale Modeling Framework (MMF) are able to explicitly resolve subgrid-scale processes by using embedded 2-D Cloud-Resolving Models (CRMs). Up to now, however, those models do not include the orographic effects on the CRM grid scale. This study shows that the effects of CRM grid-scale orography can be simulated reasonably well by the Quasi-3-D MMF (Q3D MMF), which has been developed as a second-generation MMF. In the Q3D framework, the surface topography can be included in the CRM component by using a block representation of the mountains, so that no smoothing of themore » topographic height is necessary. To demonstrate the performance of such a model, the orographic effects over a steep mountain are simulated in an idealized experimental setup with each of the Q3D MMF and the full 3-D CRM. The latter is used as a benchmark. Comparison of the results shows that the Q3D MMF is able to reproduce the horizontal distribution of orographic precipitation and the flow changes around mountains as simulated by the 3-D CRM, even though the embedded CRMs of the Q3D MMF recognize only some aspects of the complex 3-D topography. It is also shown that the use of 3-D CRMs in the Q3D framework, rather than 2-D CRMs, has positive impacts on the simulation of wind fields but does not substantially change the simulated precipitation.« less

Simulation of orographic effects with a Quasi-3-D Multiscale Modeling Framework: Basic algorithm and preliminary results

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

Jung, Joon -Hee

Here, the global atmospheric models based on the Multi-scale Modeling Framework (MMF) are able to explicitly resolve subgrid-scale processes by using embedded 2-D Cloud-Resolving Models (CRMs). Up to now, however, those models do not include the orographic effects on the CRM grid scale. This study shows that the effects of CRM grid-scale orography can be simulated reasonably well by the Quasi-3-D MMF (Q3D MMF), which has been developed as a second-generation MMF. In the Q3D framework, the surface topography can be included in the CRM component by using a block representation of the mountains, so that no smoothing of themore » topographic height is necessary. To demonstrate the performance of such a model, the orographic effects over a steep mountain are simulated in an idealized experimental setup with each of the Q3D MMF and the full 3-D CRM. The latter is used as a benchmark. Comparison of the results shows that the Q3D MMF is able to reproduce the horizontal distribution of orographic precipitation and the flow changes around mountains as simulated by the 3-D CRM, even though the embedded CRMs of the Q3D MMF recognize only some aspects of the complex 3-D topography. It is also shown that the use of 3-D CRMs in the Q3D framework, rather than 2-D CRMs, has positive impacts on the simulation of wind fields but does not substantially change the simulated precipitation.« less

Simulation of orographic effects with a Quasi-3-D Multiscale Modeling Framework: Basic algorithm and preliminary results

NASA Astrophysics Data System (ADS)

Jung, Joon-Hee

2016-12-01

The global atmospheric models based on the Multi-scale Modeling Framework (MMF) are able to explicitly resolve subgrid-scale processes by using embedded 2-D Cloud-Resolving Models (CRMs). Up to now, however, those models do not include the orographic effects on the CRM grid scale. This study shows that the effects of CRM grid-scale orography can be simulated reasonably well by the Quasi-3-D MMF (Q3D MMF), which has been developed as a second-generation MMF. In the Q3D framework, the surface topography can be included in the CRM component by using a block representation of the mountains, so that no smoothing of the topographic height is necessary. To demonstrate the performance of such a model, the orographic effects over a steep mountain are simulated in an idealized experimental setup with each of the Q3D MMF and the full 3-D CRM. The latter is used as a benchmark. Comparison of the results shows that the Q3D MMF is able to reproduce the horizontal distribution of orographic precipitation and the flow changes around mountains as simulated by the 3-D CRM, even though the embedded CRMs of the Q3D MMF recognize only some aspects of the complex 3-D topography. It is also shown that the use of 3-D CRMs in the Q3D framework, rather than 2-D CRMs, has positive impacts on the simulation of wind fields but does not substantially change the simulated precipitation.

Benchmarking global land surface models in CMIP5: analysis of ecosystem water use efficiency (WUE) and Budyko framework

NASA Astrophysics Data System (ADS)

Li, Longhui

2015-04-01

Twelve Earth System Models (ESMs) from phase 5 of the Coupled Model Intercomparison Project (CMIP5) are evaluated in terms of ecosystem water use efficiency (WUE) and Budyko framework. Simulated values of GPP and ET from ESMs were validated against with FLUXNET measurements, and the slope of linear regression between the measurement and the model ranged from 0.24 in CanESM2 to 0.8 in GISS-E2 for GPP, and from 0.51 to 0.86 for ET. The performances of 12 ESMs in simulating ET are generally better than GPP. Compared with flux-tower-based estimates by Jung et al. [Journal of Geophysical Research 116 (2011) G00J07] (JU11), all ESMs could capture the latitudinal variations of GPP and ET, but the majority of models extremely overestimated GPP and ET, particularly around the equator. The 12 ESMs showed much larger variations in latitudinal WUE. 4 of 12 ESMs predicted global annual GPP of higher than 150 Pg C year-1, and the other 8 ESMs predicted global GPP with ±15% error of the JU11 GPP. In contrast, all EMSs predicted moderate bias for global ET. The coefficient of variation (CV) of ET (0.11) is significantly less than that of GPP (0.25). More than half of 12 ESMs generally comply with the Budyko framework but some models deviated much. Spatial analysis of error in GPP and ET indicated that model results largely differ among models at different regions. This study suggested that the estimate of ET was much better than GPP. Incorporating the convergence of WUE and the Budyko framework into ESMs as constraints in the next round of CMIP scheme is expected to decrease the uncertainties of carbon and water fluxes estimates.

Shallow groundwater in the Matanuska-Susitna Valley, Alaska—Conceptualization and simulation of flow

USGS Publications Warehouse

Kikuchi, Colin P.

2013-01-01

The Matanuska-Susitna Valley is in the Upper Cook Inlet Basin and is currently undergoing rapid population growth outside of municipal water and sewer service areas. In response to concerns about the effects of increasing water use on future groundwater availability, a study was initiated between the Alaska Department of Natural Resources and the U.S. Geological Survey. The goals of the study were (1) to compile existing data and collect new data to support hydrogeologic conceptualization of the study area, and (2) to develop a groundwater flow model to simulate flow dynamics important at the regional scale. The purpose of the groundwater flow model is to provide a scientific framework for analysis of regional-scale groundwater availability. To address the first study goal, subsurface lithologic data were compiled into a database and were used to construct a regional hydrogeologic framework model describing the extent and thickness of hydrogeologic units in the Matanuska-Susitna Valley. The hydrogeologic framework model synthesizes existing maps of surficial geology and conceptual geochronologies developed in the study area with the distribution of lithologies encountered in hundreds of boreholes. The geologic modeling package Geological Surveying and Investigation in Three Dimensions (GSI3D) was used to construct the hydrogeologic framework model. In addition to characterizing the hydrogeologic framework, major groundwater-budget components were quantified using several different techniques. A land-surface model known as the Deep Percolation Model was used to estimate in-place groundwater recharge across the study area. This model incorporates data on topography, soils, vegetation, and climate. Model-simulated surface runoff was consistent with observed streamflow at U.S. Geological Survey streamgages. Groundwater withdrawals were estimated on the basis of records from major water suppliers during 2004-2010. Fluxes between groundwater and surface water were estimated during field investigations on several small streams. Regional groundwater flow patterns were characterized by synthesizing previous water-table maps with a synoptic water-level measurement conducted during 2009. Time-series water-level data were collected at groundwater and lake monitoring stations over the study period (2009–present). Comparison of historical groundwater-level records with time-series groundwater-level data collected during this study showed similar patterns in groundwater-level fluctuation in response to precipitation. Groundwater-age data collected during previous studies show that water moves quickly through the groundwater system, suggesting that the system responds quickly to changes in climate forcing. Similarly, the groundwater system quickly returns to long-term average conditions following variability due to seasonal or interannual changes in precipitation. These analyses indicate that the groundwater system is in a state of dynamic equilibrium, characterized by water-level fluctuation about a constant average state, with no long-term trends in aquifer-system storage. To address the second study goal, a steady-state groundwater flow model was developed to simulate regional groundwater flow patterns. The groundwater flow model was bounded by physically meaningful hydrologic features, and appropriate internal model boundaries were specified on the basis of conceptualization of the groundwater system resulting in a three-layer model. Calibration data included 173 water‑level measurements and 18 measurements of streamflow gains and losses along small streams. Comparison of simulated and observed heads and flows showed that the model accurately simulates important regional characteristics of the groundwater flow system. This model is therefore appropriate for studying regional-scale groundwater availability. Mismatch between model-simulated and observed hydrologic quantities is likely because of the coarse grid size of the model and seasonal transient effects. Next steps towards model refinement include the development of a transient groundwater flow model that is suitable for analysis of seasonal variability in hydraulic heads and flows. In addition, several important groundwater budget components remain poorly quantified—including groundwater outflow to the Matanuska River, Little Susitna River, and Knik Arm.

Assimilation of Freeze - Thaw Observations into the NASA Catchment Land Surface Model

NASA Technical Reports Server (NTRS)

Farhadi, Leila; Reichle, Rolf H.; DeLannoy, Gabrielle J. M.; Kimball, John S.

2014-01-01

The land surface freeze-thaw (F-T) state plays a key role in the hydrological and carbon cycles and thus affects water and energy exchanges and vegetation productivity at the land surface. In this study, we developed an F-T assimilation algorithm for the NASA Goddard Earth Observing System, version 5 (GEOS-5) modeling and assimilation framework. The algorithm includes a newly developed observation operator that diagnoses the landscape F-T state in the GEOS-5 Catchment land surface model. The F-T analysis is a rule-based approach that adjusts Catchment model state variables in response to binary F-T observations, while also considering forecast and observation errors. A regional observing system simulation experiment was conducted using synthetically generated F-T observations. The assimilation of perfect (error-free) F-T observations reduced the root-mean-square errors (RMSE) of surface temperature and soil temperature by 0.206 C and 0.061 C, respectively, when compared to model estimates (equivalent to a relative RMSE reduction of 6.7 percent and 3.1 percent, respectively). For a maximum classification error (CEmax) of 10 percent in the synthetic F-T observations, the F-T assimilation reduced the RMSE of surface temperature and soil temperature by 0.178 C and 0.036 C, respectively. For CEmax=20 percent, the F-T assimilation still reduces the RMSE of model surface temperature estimates by 0.149 C but yields no improvement over the model soil temperature estimates. The F-T assimilation scheme is being developed to exploit planned operational F-T products from the NASA Soil Moisture Active Passive (SMAP) mission.

On the representability problem and the physical meaning of coarse-grained models

NASA Astrophysics Data System (ADS)

Wagner, Jacob W.; Dama, James F.; Durumeric, Aleksander E. P.; Voth, Gregory A.

2016-07-01

In coarse-grained (CG) models where certain fine-grained (FG, i.e., atomistic resolution) observables are not directly represented, one can nonetheless identify indirect the CG observables that capture the FG observable's dependence on CG coordinates. Often, in these cases it appears that a CG observable can be defined by analogy to an all-atom or FG observable, but the similarity is misleading and significantly undermines the interpretation of both bottom-up and top-down CG models. Such problems emerge especially clearly in the framework of the systematic bottom-up CG modeling, where a direct and transparent correspondence between FG and CG variables establishes precise conditions for consistency between CG observables and underlying FG models. Here we present and investigate these representability challenges and illustrate them via the bottom-up conceptual framework for several simple analytically tractable polymer models. The examples provide special focus on the observables of configurational internal energy, entropy, and pressure, which have been at the root of controversy in the CG literature, as well as discuss observables that would seem to be entirely missing in the CG representation but can nonetheless be correlated with CG behavior. Though we investigate these problems in the framework of systematic coarse-graining, the lessons apply to top-down CG modeling also, with crucial implications for simulation at constant pressure and surface tension and for the interpretations of structural and thermodynamic correlations for comparison to experiment.

Drivers of Microbial Risk for Direct Potable Reuse and de Facto Reuse Treatment Schemes: The Impacts of Source Water Quality and Blending.

PubMed

Chaudhry, Rabia M; Hamilton, Kerry A; Haas, Charles N; Nelson, Kara L

2017-06-13

Although reclaimed water for potable applications has many potential benefits, it poses concerns for chemical and microbial risks to consumers. We present a quantitative microbial risk assessment (QMRA) Monte Carlo framework to compare a de facto water reuse scenario (treated wastewater-impacted surface water) with four hypothetical Direct Potable Reuse (DPR) scenarios for Norovirus, Cryptosporidium , and Salmonella . Consumer microbial risks of surface source water quality (impacted by 0-100% treated wastewater effluent) were assessed. Additionally, we assessed risks for different blending ratios (0-100% surface water blended into advanced-treated DPR water) when source surface water consisted of 50% wastewater effluent. De facto reuse risks exceeded the yearly 10 -4 infections risk benchmark while all modeled DPR risks were significantly lower. Contamination with 1% or more wastewater effluent in the source water, and blending 1% or more wastewater-impacted surface water into the advanced-treated DPR water drove the risk closer to the 10 -4 benchmark. We demonstrate that de facto reuse by itself, or as an input into DPR, drives microbial risks more so than the advanced-treated DPR water. When applied using location-specific inputs, this framework can contribute to project design and public awareness campaigns to build legitimacy for DPR.

Drivers of Microbial Risk for Direct Potable Reuse and de Facto Reuse Treatment Schemes: The Impacts of Source Water Quality and Blending

PubMed Central

Chaudhry, Rabia M.; Hamilton, Kerry A.; Haas, Charles N.; Nelson, Kara L.

2017-01-01

Although reclaimed water for potable applications has many potential benefits, it poses concerns for chemical and microbial risks to consumers. We present a quantitative microbial risk assessment (QMRA) Monte Carlo framework to compare a de facto water reuse scenario (treated wastewater-impacted surface water) with four hypothetical Direct Potable Reuse (DPR) scenarios for Norovirus, Cryptosporidium, and Salmonella. Consumer microbial risks of surface source water quality (impacted by 0–100% treated wastewater effluent) were assessed. Additionally, we assessed risks for different blending ratios (0–100% surface water blended into advanced-treated DPR water) when source surface water consisted of 50% wastewater effluent. De facto reuse risks exceeded the yearly 10−4 infections risk benchmark while all modeled DPR risks were significantly lower. Contamination with 1% or more wastewater effluent in the source water, and blending 1% or more wastewater-impacted surface water into the advanced-treated DPR water drove the risk closer to the 10−4 benchmark. We demonstrate that de facto reuse by itself, or as an input into DPR, drives microbial risks more so than the advanced-treated DPR water. When applied using location-specific inputs, this framework can contribute to project design and public awareness campaigns to build legitimacy for DPR. PMID:28608808

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.

Empirical Measurement and Model Validation of Infrared Spectra of Contaminated Surfaces

NASA Astrophysics Data System (ADS)

Archer, Sean

The goal of this thesis was to validate predicted infrared spectra of liquid contaminated surfaces from a micro-scale bi-directional reflectance distribution function (BRDF) model through the use of empirical measurement. Liquid contaminated surfaces generally require more sophisticated radiometric modeling to numerically describe surface properties. The Digital Image and Remote Sensing Image Generation (DIRSIG) model utilizes radiative transfer modeling to generate synthetic imagery for a variety of applications. Aside from DIRSIG, a micro-scale model known as microDIRSIG has been developed as a rigorous ray tracing physics-based model that could predict the BRDF of geometric surfaces that are defined as micron to millimeter resolution facets. The model offers an extension from the conventional BRDF models by allowing contaminants to be added as geometric objects to a micro-facet surface. This model was validated through the use of Fourier transform infrared spectrometer measurements. A total of 18 different substrate and contaminant combinations were measured and compared against modeled outputs. The substrates used in this experiment were wood and aluminum that contained three different paint finishes. The paint finishes included no paint, Krylon ultra-flat black, and Krylon glossy black. A silicon based oil (SF96) was measured out and applied to each surface to create three different contamination cases for each surface. Radiance in the longwave infrared region of the electromagnetic spectrum was measured by a Design and Prototypes (D&P) Fourier transform infrared spectrometer and a Physical Sciences Inc. Adaptive Infrared Imaging Spectroradiometer (AIRIS). The model outputs were compared against the measurements quantitatively in both the emissivity and radiance domains. A temperature emissivity separation (TES) algorithm had to be applied to the measured radiance spectra for comparison with the microDIRSIG predicted emissivity spectra. The model predicted emissivity spectra was also forward modeled through a DIRSIG simulation for comparisons to the radiance measurements. The results showed a promising agreement for homogeneous surfaces with liquid contamination that could be well characterized geometrically. Limitations arose in substrates that were modeled as homogeneous surfaces, but had spatially varying artifacts due to uncertainties with contaminant and surface interactions. There is high desire for accurate physics based modeling of liquid contaminated surfaces and this validation framework may be extended to include a wider array of samples for more realistic natural surfaces that are often found in real world scenarios.

Large-eddy simulation of subtropical cloud-topped boundary layers: 1. A forcing framework with closed surface energy balance

NASA Astrophysics Data System (ADS)

Tan, Zhihong; Schneider, Tapio; Teixeira, João.; Pressel, Kyle G.

2016-12-01

Large-eddy simulation (LES) of clouds has the potential to resolve a central question in climate dynamics, namely, how subtropical marine boundary layer (MBL) clouds respond to global warming. However, large-scale processes need to be prescribed or represented parameterically in the limited-area LES domains. It is important that the representation of large-scale processes satisfies constraints such as a closed energy balance in a manner that is realizable under climate change. For example, LES with fixed sea surface temperatures usually do not close the surface energy balance, potentially leading to spurious surface fluxes and cloud responses to climate change. Here a framework of forcing LES of subtropical MBL clouds is presented that enforces a closed surface energy balance by coupling atmospheric LES to an ocean mixed layer with a sea surface temperature (SST) that depends on radiative fluxes and sensible and latent heat fluxes at the surface. A variety of subtropical MBL cloud regimes (stratocumulus, cumulus, and stratocumulus over cumulus) are simulated successfully within this framework. However, unlike in conventional frameworks with fixed SST, feedbacks between cloud cover and SST arise, which can lead to sudden transitions between cloud regimes (e.g., stratocumulus to cumulus) as forcing parameters are varied. The simulations validate this framework for studies of MBL clouds and establish its usefulness for studies of how the clouds respond to climate change.

Specification of the Surface Charging Environment with SHIELDS

NASA Astrophysics Data System (ADS)

Jordanova, V.; Delzanno, G. L.; Henderson, M. G.; Godinez, H. C.; Jeffery, C. A.; Lawrence, E. C.; Meierbachtol, C.; Moulton, J. D.; Vernon, L.; Woodroffe, J. R.; Brito, T.; Toth, G.; Welling, D. T.; Yu, Y.; Albert, J.; Birn, J.; Borovsky, J.; Denton, M.; Horne, R. B.; Lemon, C.; Markidis, S.; Thomsen, M. F.; Young, S. L.

2016-12-01

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 recently funded project through the Los Alamos National Laboratory (LANL) Directed Research and Development (LDRD) program aims at developing a new capability to understand, model, and predict Space Hazards Induced near Earth by Large Dynamic Storms, the SHIELDS framework. The project goals are to understand 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 microscale. Important physics questions related to rapid particle injection and acceleration associated with magnetospheric storms and substorms as well as plasma waves are investigated. These challenging problems are addressed using a team of world-class experts in the fields of space science and computational plasma physics, and state-of-the-art models and computational facilities. In addition to physics-based models (like RAM-SCB, BATS-R-US, and iPIC3D), new data assimilation techniques employing data from LANL instruments on the Van Allen Probes and geosynchronous satellites are developed. Simulations with the SHIELDS framework of the near-Earth space environment where operational satellites reside are presented. Further model development and the organization of a "Spacecraft Charging Environment Challenge" by the SHIELDS project at LANL in collaboration with the NSF Geospace Environment Modeling (GEM) Workshop and the multi-agency Community Coordinated Modeling Center (CCMC) to assess the accuracy of SCE predictions are discussed.

A general gridding, discretization, and coarsening methodology for modeling flow in porous formations with discrete geological features

NASA Astrophysics Data System (ADS)

Karimi-Fard, M.; Durlofsky, L. J.

2016-10-01

A comprehensive framework for modeling flow in porous media containing thin, discrete features, which could be high-permeability fractures or low-permeability deformation bands, is presented. The key steps of the methodology are mesh generation, fine-grid discretization, upscaling, and coarse-grid discretization. Our specialized gridding technique combines a set of intersecting triangulated surfaces by constructing approximate intersections using existing edges. This procedure creates a conforming mesh of all surfaces, which defines the internal boundaries for the volumetric mesh. The flow equations are discretized on this conforming fine mesh using an optimized two-point flux finite-volume approximation. The resulting discrete model is represented by a list of control-volumes with associated positions and pore-volumes, and a list of cell-to-cell connections with associated transmissibilities. Coarse models are then constructed by the aggregation of fine-grid cells, and the transmissibilities between adjacent coarse cells are obtained using flow-based upscaling procedures. Through appropriate computation of fracture-matrix transmissibilities, a dual-continuum representation is obtained on the coarse scale in regions with connected fracture networks. The fine and coarse discrete models generated within the framework are compatible with any connectivity-based simulator. The applicability of the methodology is illustrated for several two- and three-dimensional examples. In particular, we consider gas production from naturally fractured low-permeability formations, and transport through complex fracture networks. In all cases, highly accurate solutions are obtained with significant model reduction.

A Semi-Structured MODFLOW-USG Model to Evaluate Local Water Sources to Wells for Decision Support.

PubMed

Feinstein, Daniel T; Fienen, Michael N; Reeves, Howard W; Langevin, Christian D

2016-07-01

In order to better represent the configuration of the stream network and simulate local groundwater-surface water interactions, a version of MODFLOW with refined spacing in the topmost layer was applied to a Lake Michigan Basin (LMB) regional groundwater-flow model developed by the U.S. Geological. Regional MODFLOW models commonly use coarse grids over large areas; this coarse spacing precludes model application to local management issues (e.g., surface-water depletion by wells) without recourse to labor-intensive inset models. Implementation of an unstructured formulation within the MODFLOW framework (MODFLOW-USG) allows application of regional models to address local problems. A "semi-structured" approach (uniform lateral spacing within layers, different lateral spacing among layers) was tested using the LMB regional model. The parent 20-layer model with uniform 5000-foot (1524-m) lateral spacing was converted to 4 layers with 500-foot (152-m) spacing in the top glacial (Quaternary) layer, where surface water features are located, overlying coarser resolution layers representing deeper deposits. This semi-structured version of the LMB model reproduces regional flow conditions, whereas the finer resolution in the top layer improves the accuracy of the simulated response of surface water to shallow wells. One application of the semi-structured LMB model is to provide statistical measures of the correlation between modeled inputs and the simulated amount of water that wells derive from local surface water. The relations identified in this paper serve as the basis for metamodels to predict (with uncertainty) surface-water depletion in response to shallow pumping within and potentially beyond the modeled area, see Fienen et al. (2015a). Published 2016. This article is a U.S. Government work and is in the public domain in the USA.

A semi-structured MODFLOW-USG model to evaluate local water sources to wells for decision support

USGS Publications Warehouse

Feinstein, Daniel T.; Fienen, Michael N.; Reeves, Howard W.; Langevin, Christian D.

2016-01-01

In order to better represent the configuration of the stream network and simulate local groundwater-surface water interactions, a version of MODFLOW with refined spacing in the topmost layer was applied to a Lake Michigan Basin (LMB) regional groundwater-flow model developed by the U.S. Geological. Regional MODFLOW models commonly use coarse grids over large areas; this coarse spacing precludes model application to local management issues (e.g., surface-water depletion by wells) without recourse to labor-intensive inset models. Implementation of an unstructured formulation within the MODFLOW framework (MODFLOW-USG) allows application of regional models to address local problems. A “semi-structured” approach (uniform lateral spacing within layers, different lateral spacing among layers) was tested using the LMB regional model. The parent 20-layer model with uniform 5000-foot (1524-m) lateral spacing was converted to 4 layers with 500-foot (152-m) spacing in the top glacial (Quaternary) layer, where surface water features are located, overlying coarser resolution layers representing deeper deposits. This semi-structured version of the LMB model reproduces regional flow conditions, whereas the finer resolution in the top layer improves the accuracy of the simulated response of surface water to shallow wells. One application of the semi-structured LMB model is to provide statistical measures of the correlation between modeled inputs and the simulated amount of water that wells derive from local surface water. The relations identified in this paper serve as the basis for metamodels to predict (with uncertainty) surface-water depletion in response to shallow pumping within and potentially beyond the modeled area, see Fienen et al. (2015a).

A climate robust integrated modelling framework for regional impact assessment of climate change

NASA Astrophysics Data System (ADS)

Janssen, Gijs; Bakker, Alexander; van Ek, Remco; Groot, Annemarie; Kroes, Joop; Kuiper, Marijn; Schipper, Peter; van Walsum, Paul; Wamelink, Wieger; Mol, Janet

2013-04-01

Decision making towards climate proofing the water management of regional catchments can benefit greatly from the availability of a climate robust integrated modelling framework, capable of a consistent assessment of climate change impacts on the various interests present in the catchments. In the Netherlands, much effort has been devoted to developing state-of-the-art regional dynamic groundwater models with a very high spatial resolution (25x25 m2). Still, these models are not completely satisfactory to decision makers because the modelling concepts do not take into account feedbacks between meteorology, vegetation/crop growth, and hydrology. This introduces uncertainties in forecasting the effects of climate change on groundwater, surface water, agricultural yields, and development of groundwater dependent terrestrial ecosystems. These uncertainties add to the uncertainties about the predictions on climate change itself. In order to create an integrated, climate robust modelling framework, we coupled existing model codes on hydrology, agriculture and nature that are currently in use at the different research institutes in the Netherlands. The modelling framework consists of the model codes MODFLOW (groundwater flow), MetaSWAP (vadose zone), WOFOST (crop growth), SMART2-SUMO2 (soil-vegetation) and NTM3 (nature valuation). MODFLOW, MetaSWAP and WOFOST are coupled online (i.e. exchange information on time step basis). Thus, changes in meteorology and CO2-concentrations affect crop growth and feedbacks between crop growth, vadose zone water movement and groundwater recharge are accounted for. The model chain WOFOST-MetaSWAP-MODFLOW generates hydrological input for the ecological prediction model combination SMART2-SUMO2-NTM3. The modelling framework was used to support the regional water management decision making process in the 267 km2 Baakse Beek-Veengoot catchment in the east of the Netherlands. Computations were performed for regionalized 30-year climate change scenarios developed by KNMI for precipitation and reference evapotranspiration according to Penman-Monteith. Special focus in the project was on the role of uncertainty. How valid is the information that is generated by this modelling framework? What are the most important uncertainties of the input data, how do they affect the results of the model chain and how can the uncertainties of the data, results, and model concepts be quantified and communicated? Besides these technical issues, an important part of the study was devoted to the perception of stakeholders. Stakeholder analysis and additional working sessions yielded insight into how the models, their results and the uncertainties are perceived, how the modelling framework and results connect to the stakeholders' information demands and what kind of additional information is needed for adequate support on decision making.

A Conceptual Framework for SAHRA Integrated Multi-resolution Modeling in the Rio Grande Basin

NASA Astrophysics Data System (ADS)

Liu, Y.; Gupta, H.; Springer, E.; Wagener, T.; Brookshire, D.; Duffy, C.

2004-12-01

The sustainable management of water resources in a river basin requires an integrated analysis of the social, economic, environmental and institutional dimensions of the problem. Numerical models are commonly used for integration of these dimensions and for communication of the analysis results to stakeholders and policy makers. The National Science Foundation Science and Technology Center for Sustainability of semi-Arid Hydrology and Riparian Areas (SAHRA) has been developing integrated multi-resolution models to assess impacts of climate variability and land use change on water resources in the Rio Grande Basin. These models not only couple natural systems such as surface and ground waters, but will also include engineering, economic and social components that may be involved in water resources decision-making processes. This presentation will describe the conceptual framework being developed by SAHRA to guide and focus the multiple modeling efforts and to assist the modeling team in planning, data collection and interpretation, communication, evaluation, etc. One of the major components of this conceptual framework is a Conceptual Site Model (CSM), which describes the basin and its environment based on existing knowledge and identifies what additional information must be collected to develop technically sound models at various resolutions. The initial CSM is based on analyses of basin profile information that has been collected, including a physical profile (e.g., topographic and vegetative features), a man-made facility profile (e.g., dams, diversions, and pumping stations), and a land use and ecological profile (e.g., demographics, natural habitats, and endangered species). Based on the initial CSM, a Conceptual Physical Model (CPM) is developed to guide and evaluate the selection of a model code (or numerical model) for each resolution to conduct simulations and predictions. A CPM identifies, conceptually, all the physical processes and engineering and socio-economic activities occurring (or to occur) in the real system that the corresponding numerical models are required to address, such as riparian evapotranspiration responses to vegetation change and groundwater pumping impacts on soil moisture contents. Simulation results from different resolution models and observations of the real system will then be compared to evaluate the consistency among the CSM, the CPMs, and the numerical models, and feedbacks will be used to update the models. In a broad sense, the evaluation of the models (conceptual or numerical), as well as the linkages between them, can be viewed as a part of the overall conceptual framework. As new data are generated and understanding improves, the models will evolve, and the overall conceptual framework is refined. The development of the conceptual framework becomes an on-going process. We will describe the current state of this framework and the open questions that have to be addressed in the future.

A high-fidelity airbus benchmark for system fault detection and isolation and flight control law clearance

NASA Astrophysics Data System (ADS)

Goupil, Ph.; Puyou, G.

2013-12-01

This paper presents a high-fidelity generic twin engine civil aircraft model developed by Airbus for advanced flight control system research. The main features of this benchmark are described to make the reader aware of the model complexity and representativeness. It is a complete representation including the nonlinear rigid-body aircraft model with a full set of control surfaces, actuator models, sensor models, flight control laws (FCL), and pilot inputs. Two applications of this benchmark in the framework of European projects are presented: FCL clearance using optimization and advanced fault detection and diagnosis (FDD).

The role of surface elasticity in liquid film formation

NASA Astrophysics Data System (ADS)

Champougny, Lorene; Scheid, Benoit; Restagno, Frederic; Rio, Emmanuelle; Laboratoire de Physique des Solides Team; TIPS-Fluid Physics Unit Team

2014-11-01

The formation of thin liquid films, either free standing (soap films) or deposited on a solid substrate (coated films), is of utmost importance for many applications, ranging from the control of foam stability to surface functionalization. In this work, the behavior of thin liquid films during their generation from a surfactant solution is investigated through comparison between a hydrodynamic model including surface elasticity and experiments. ``Twin'' models are proposed to describe the coating of films onto a solid plate (Landau-Levich-Derjaguin configuration) as well as soap film pulling (Frankel configuration) in a single framework. Experimental data are successfully fitted using the models, surface elasticity being the only adjustable parameter. For a given surfactant solution, the analyses of soap and coated films both yield the same value for the effective surface elasticity, showing that it is an intrinsic parameter of a surfactant solution. Conversely, we demonstrate that Frankel- or Landau-Levich-like experiments can be used in practice as surface rheometers to determine the numerical value of the (effective) surface elasticity of a solution, especially for values lower than those measurable by classical devices. L.C. was supported by ANR F2F. B.S. thanks the F.R.S.-FNRS for funding as well as the IAP-MicroMAST project.

Contact line motion over substrates with spatially non-uniform properties

NASA Astrophysics Data System (ADS)

Ajaev, Vladimir; Gatapova, Elizaveta; Kabov, Oleg

2017-11-01

We develop mathematical models of moving contact lines over flat solid surfaces with spatial variation of temperature and wetting properties under the conditions when evaporation is significant. The gas phase is assumed to be pure vapor and a lubrication-type framework is employed for describing viscous flow in the liquid. Marangoni stresses at the liquid surface arise as a result of temperature variation in the vapor phase, non-equilibrium effects during evaporation at the interface, and Kelvin effect. The relative importance of these three factors is determined. Variation of wetting properties is modeled through a two-component disjoining pressure, with the main focus on spatially periodic patterns leading to time-periodic variation of the contact line speed.

Conversion of Component-Based Point Definition to VSP Model and Higher Order Meshing

NASA Technical Reports Server (NTRS)

Ordaz, Irian

2011-01-01

Vehicle Sketch Pad (VSP) has become a powerful conceptual and parametric geometry tool with numerous export capabilities for third-party analysis codes as well as robust surface meshing capabilities for computational fluid dynamics (CFD) analysis. However, a capability gap currently exists for reconstructing a fully parametric VSP model of a geometry generated by third-party software. A computer code called GEO2VSP has been developed to close this gap and to allow the integration of VSP into a closed-loop geometry design process with other third-party design tools. Furthermore, the automated CFD surface meshing capability of VSP are demonstrated for component-based point definition geometries in a conceptual analysis and design framework.

Self-assembly of metal nanostructures on binary alloy surfaces

PubMed Central

Duguet, T.; Han, Yong; Yuen, Chad; Jing, Dapeng; Ünal, Barış; Evans, J. W.; Thiel, P. A.

2011-01-01

Deposition of metals on binary alloy surfaces offers new possibilities for guiding the formation of functional metal nanostructures. This idea is explored with scanning tunneling microscopy studies and atomistic-level analysis and modeling of nonequilibrium island formation. For Au/NiAl(110), complex monolayer structures are found and compared with the simple fcc(110) bilayer structure recently observed for Ag/NiAl(110). We also consider a more complex codeposition system, (Ni + Al)/NiAl(110), which offers the opportunity for fundamental studies of self-growth of alloys including deviations for equilibrium ordering. A general multisite lattice-gas model framework enables analysis of structure selection and morphological evolution in these systems. PMID:21097706

Parametric design and gridding through relational geometry

NASA Technical Reports Server (NTRS)

Letcher, John S., Jr.; Shook, D. Michael

1995-01-01

Relational Geometric Synthesis (RGS) is a new logical framework for building up precise definitions of complex geometric models from points, curves, surfaces and solids. RGS achieves unprecedented design flexibility by supporting a rich variety of useful curve and surface entities. During the design process, many qualitative and quantitative relationships between elementary objects may be captured and retained in a data structure equivalent to a directed graph, such that they can be utilized for automatically updating the complete model geometry following changes in the shape or location of an underlying object. Capture of relationships enables many new possibilities for parametric variations and optimization. Examples are given of panelization applications for submarines, sailing yachts, offshore structures, and propellers.

Characterizing the subsurface geology in and around the U.S. Army Camp Stanley Storage Activity, south-central Texas

USGS Publications Warehouse

Blome, Charles D.; Clark, Allan K.

2018-02-15

Several U.S. Geological Survey projects, supported by the National Cooperative Geologic Mapping Program, have used multi-disciplinary approaches over a 14-year period to reveal the surface and subsurface geologic frameworks of the Edwards and Trinity aquifers of central Texas and the Arbuckle-Simpson aquifer of south-central Oklahoma. Some of the project achievements include advancements in hydrostratigraphic mapping, three-dimensional subsurface framework modeling, and airborne geophysical surveys as well as new methodologies that link geologic and groundwater flow models. One area where some of these milestones were achieved was in and around the U.S. Army Camp Stanley Storage Activity, located in north­western Bexar County, Texas, about 19 miles north­west of downtown San Antonio.

On 3D inelastic analysis methods for hot section components

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Chen, P. C.; Dame, L. T.; Holt, R. V.; Huang, H.; Hartle, M.; Gellin, S.; Allen, D. H.; Haisler, W. E.

1986-01-01

Accomplishments are described for the 2-year program, to develop advanced 3-D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades and vanes. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulations models were developed; an eight-noded mid-surface shell element, a nine-noded mid-surface shell element and a twenty-noded isoparametric solid element. A separate computer program was developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.

Robust boundary treatment for open-channel flows in divergence-free incompressible SPH

NASA Astrophysics Data System (ADS)

Pahar, Gourabananda; Dhar, Anirban

2017-03-01

A robust Incompressible Smoothed Particle Hydrodynamics (ISPH) framework is developed to simulate specified inflow and outflow boundary conditions for open-channel flow. Being purely divergence-free, the framework offers smoothed and structured pressure distribution. An implicit treatment of Pressure Poison Equation and Dirichlet boundary condition is applied on free-surface to minimize error in velocity-divergence. Beyond inflow and outflow threshold, multiple layers of dummy particles are created according to specified boundary condition. Inflow boundary acts as a soluble wave-maker. Fluid particles beyond outflow threshold are removed and replaced with dummy particles with specified boundary velocity. The framework is validated against different cases of open channel flow with different boundary conditions. The model can efficiently capture flow evolution and vortex generation for random geometry and variable boundary conditions.

Developing a Novel Hydrogen Sponge with Ideal Binding Energy and High Surface Area for Practical Hydrogen Storage

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

Chung, T. C. Mike

This Phase I (5 quarters) research project was to examine the validity of a new class of boron-containing polymer (B-polymer) frameworks, serving as the adsorbents for the practical onboard H2 storage applications. Three B-polymer frameworks were synthesized and investigated, which include B-poly(butyenylstyrene) (B-PBS) framework (A), B-poly(phenyldiacetyene) (B-PPDA) framework (B), and B-poly(phenyltriacetylene) (B-PPTA) framework (C). They are 2-D polymer structures with the repeating cyclic units that spontaneously form open morphology and the B-doped (p-type) π-electrons delocalized surfaces. The ideal B-polymer framework shall exhibit open micropores (pore size in the range of 1-1.5nm) with high surface area (>3000 m 2/g), and themore » B-dopants in the conjugated framework shall provide high surface energy for interacting with H 2 molecules (an ideal H 2 binding energy in the range of 15-25 kJ/mol). The pore size distribution and H2 binding energy were investigated at both Penn State and NREL laboratories. So far, the experimental results show the successful synthesis of B-polymer frameworks with the relatively well-defined planar (2-D) structures. The intrinsically formed porous morphology exhibits a broad pore size distribution (in the range of 0.5-10 nm) with specific surface area (~1000 m 2/g). The miss-alignment between 2-D layers may block some micropore channels and limit gas diffusion throughout the entire matrix. In addition, the 2-D planar conjugated structure may also allow free π-electrons delocalization throughout the framework, which significantly reduces the acidity of B-moieties (electron-deficiency).The resulting 2-D B-polymer frameworks only exhibit a small increase of H 2 binding energy in the range of 8-9 KJ/mole (quite constant over the whole sorption range).« less

A comprehensive sensitivity analysis of the WRF model for air quality applications over the Iberian Peninsula

NASA Astrophysics Data System (ADS)

Borge, Rafael; Alexandrov, Vassil; José del Vas, Juan; Lumbreras, Julio; Rodríguez, Encarnacion

Meteorological inputs play a vital role on regional air quality modelling. An extensive sensitivity analysis of the Weather Research and Forecasting (WRF) model was performed, in the framework of the Integrated Assessment Modelling System for the Iberian Peninsula (SIMCA) project. Up to 23 alternative model configurations, including Planetary Boundary Layer schemes, Microphysics, Land-surface models, Radiation schemes, Sea Surface Temperature and Four-Dimensional Data Assimilation were tested in a 3 km spatial resolution domain. Model results for the most significant meteorological variables, were assessed through a series of common statistics. The physics options identified to produce better results (Yonsei University Planetary Boundary Layer, WRF Single-Moment 6-class microphysics, Noah Land-surface model, Eta Geophysical Fluid Dynamics Laboratory longwave radiation and MM5 shortwave radiation schemes) along with other relevant user settings (time-varying Sea Surface Temperature and combined grid-observational nudging) where included in a "best case" configuration. This setup was tested and found to produce more accurate estimation of temperature, wind and humidity fields at surface level than any other configuration for the two episodes simulated. Planetary Boundary Layer height predictions showed a reasonable agreement with estimations derived from routine atmospheric soundings. Although some seasonal and geographical differences were observed, the model showed an acceptable behaviour overall. Despite being useful to define the most appropriate setup of the WRF model for air quality modelling over the Iberian Peninsula, this study provides a general overview of WRF sensitivity and can constitute a reference for future mesoscale meteorological modelling exercises.

Integrated modelling of nitrate loads to coastal waters and land rent applied to catchment-scale water management.

PubMed

Refsgaard, A; Jacobsen, T; Jacobsen, B; Ørum, J-E

2007-01-01

The EU Water Framework Directive (WFD) requires an integrated approach to river basin management in order to meet environmental and ecological objectives. This paper presents concepts and full-scale application of an integrated modelling framework. The Ringkoebing Fjord basin is characterized by intensive agricultural production and leakage of nitrate constitute a major pollution problem with respect groundwater aquifers (drinking water), fresh surface water systems (water quality of lakes) and coastal receiving waters (eutrophication). The case study presented illustrates an advanced modelling approach applied in river basin management. Point sources (e.g. sewage treatment plant discharges) and distributed diffuse sources (nitrate leakage) are included to provide a modelling tool capable of simulating pollution transport from source to recipient to analyse the effects of specific, localized basin water management plans. The paper also includes a land rent modelling approach which can be used to choose the most cost-effective measures and the location of these measures. As a forerunner to the use of basin-scale models in WFD basin water management plans this project demonstrates the potential and limitations of comprehensive, integrated modelling tools.

The impact of mesoscale convective systems on global precipitation: A modeling study

NASA Astrophysics Data System (ADS)

Tao, Wei-Kuo

2017-04-01

The importance of precipitating mesoscale convective systems (MCSs) has been quantified from TRMM precipitation radar and microwave imager retrievals. MCSs generate more than 50% of the rainfall in most tropical regions. Typical MCSs have horizontal scales of a few hundred kilometers (km); therefore, a large domain and high resolution are required for realistic simulations of MCSs in cloud-resolving models (CRMs). Almost all traditional global and climate models do not have adequate parameterizations to represent MCSs. Typical multi-scale modeling frameworks (MMFs) with 32 CRM grid points and 4 km grid spacing also might not have sufficient resolution and domain size for realistically simulating MCSs. In this study, the impact of MCSs on precipitation processes is examined by conducting numerical model simulations using the Goddard Cumulus Ensemble model (GCE) and Goddard MMF (GMMF). The results indicate that both models can realistically simulate MCSs with more grid points (i.e., 128 and 256) and higher resolutions (1 or 2 km) compared to those simulations with less grid points (i.e., 32 and 64) and low resolution (4 km). The modeling results also show that the strengths of the Hadley circulations, mean zonal and regional vertical velocities, surface evaporation, and amount of surface rainfall are either weaker or reduced in the GMMF when using more CRM grid points and higher CRM resolution. In addition, the results indicate that large-scale surface evaporation and wind feed back are key processes for determining the surface rainfall amount in the GMMF. A sensitivity test with reduced sea surface temperatures (SSTs) is conducted and results in both reduced surface rainfall and evaporation.

The Impact of Simulated Mesoscale Convective Systems on Global Precipitation: A Multiscale Modeling Study

NASA Technical Reports Server (NTRS)

Tao, Wei-Kuo; Chern, Jiun-Dar

2017-01-01

The importance of precipitating mesoscale convective systems (MCSs) has been quantified from TRMM precipitation radar and microwave imager retrievals. MCSs generate more than 50% of the rainfall in most tropical regions. MCSs usually have horizontal scales of a few hundred kilometers (km); therefore, a large domain with several hundred km is required for realistic simulations of MCSs in cloud-resolving models (CRMs). Almost all traditional global and climate models do not have adequate parameterizations to represent MCSs. Typical multi-scale modeling frameworks (MMFs) may also lack the resolution (4 km grid spacing) and domain size (128 km) to realistically simulate MCSs. In this study, the impact of MCSs on precipitation is examined by conducting model simulations using the Goddard Cumulus Ensemble (GCE) model and Goddard MMF (GMMF). The results indicate that both models can realistically simulate MCSs with more grid points (i.e., 128 and 256) and higher resolutions (1 or 2 km) compared to those simulations with fewer grid points (i.e., 32 and 64) and low resolution (4 km). The modeling results also show the strengths of the Hadley circulations, mean zonal and regional vertical velocities, surface evaporation, and amount of surface rainfall are weaker or reduced in the GMMF when using more CRM grid points and higher CRM resolution. In addition, the results indicate that large-scale surface evaporation and wind feed back are key processes for determining the surface rainfall amount in the GMMF. A sensitivity test with reduced sea surface temperatures shows both reduced surface rainfall and evaporation.

The impact of simulated mesoscale convective systems on global precipitation: A multiscale modeling study

NASA Astrophysics Data System (ADS)

Tao, Wei-Kuo; Chern, Jiun-Dar

2017-06-01

The importance of precipitating mesoscale convective systems (MCSs) has been quantified from TRMM precipitation radar and microwave imager retrievals. MCSs generate more than 50% of the rainfall in most tropical regions. MCSs usually have horizontal scales of a few hundred kilometers (km); therefore, a large domain with several hundred km is required for realistic simulations of MCSs in cloud-resolving models (CRMs). Almost all traditional global and climate models do not have adequate parameterizations to represent MCSs. Typical multiscale modeling frameworks (MMFs) may also lack the resolution (4 km grid spacing) and domain size (128 km) to realistically simulate MCSs. The impact of MCSs on precipitation is examined by conducting model simulations using the Goddard Cumulus Ensemble (GCE, a CRM) model and Goddard MMF that uses the GCEs as its embedded CRMs. Both models can realistically simulate MCSs with more grid points (i.e., 128 and 256) and higher resolutions (1 or 2 km) compared to those simulations with fewer grid points (i.e., 32 and 64) and low resolution (4 km). The modeling results also show the strengths of the Hadley circulations, mean zonal and regional vertical velocities, surface evaporation, and amount of surface rainfall are weaker or reduced in the Goddard MMF when using more CRM grid points and higher CRM resolution. In addition, the results indicate that large-scale surface evaporation and wind feedback are key processes for determining the surface rainfall amount in the GMMF. A sensitivity test with reduced sea surface temperatures shows both reduced surface rainfall and evaporation.

Distributed Application of the Unified Noah LSM with Hydrologic Flow Routing on an Appalachian Headwater Basin

NASA Astrophysics Data System (ADS)

Garcia, M.; Kumar, S.; Gochis, D.; Yates, D.; McHenry, J.; Burnet, T.; Coats, C.; Condrey, J.

2006-05-01

Collaboration between scientists at UMBC-GEST and NASA-GSFC, the NCAR Research Applications Laboratory (RAL), and Baron Advanced Meteorological Services (BAMS), has produced a modeling framework for the application of traditional land surface models (LSMs) in a distributed hydrologic system which can be used for diagnosis and prediction of routed stream discharge hydrographs. This collaboration is oriented on near-term system implementation across Romania for flood and flash-flood analyses and forecasting as part of the World Bank-funded Destructive Waters Abatement (DESWAT) program. Meteorological forcing from surface observations, model analyses and numerical forecasts are employed in the NASA-GSFC Land Information System (LIS) to drive the Unified Noah LSM with Noah-Distributed components, stream network delineation and routing schemes original to this work. The Unified Noah LSM is the outgrowth of a joint modeling effort between several research partners including NCAR, the NOAA National Center for Environmental Prediction (NCEP), and the Air Force Weather Agency (AFWA). At NCAR, hydrologically-oriented extensions to the Noah LSM have been developed for LSM applications in a distributed domain in order to address the lateral redistribution of soil moisture by surface and subsurface flow processes. These advancements have been integrated into the NASA-GSFC Land Information System (LIS) and coupled with an original framework for hydraulic channel network definition and specification, linkages with the Noah-Distributed overland and subsurface flow framework, and distributed cell- to-cell (or link-node) hydraulic routing. This poster presents an overview of the system components and their organization, as well as results of the first U.S. case study performed with this system under various configurations. The case study simulated precipitation events over a headwater basin in the southern Appalachian Mountains in October 2005 following the landfall of Tropical Storm Tammy in South Carolina. These events followed on a long dry period in the region, lending to the demonstration of watershed response to strong precipitation forcing under nearly ideal and easily-specified initial conditions. The results presented here will compare simulated versus observed streamflow conditions at various locations in the test watershed using a selection of routing methods.

Sea ice - atmosphere interaction: Application of multispectral satellite data in polar surface energy flux estimates

NASA Technical Reports Server (NTRS)

Steffen, Konrad; Schweiger, A.; Maslanik, J.; Key, J.; Haefliger, M.; Weaver, R.

1991-01-01

In the past six months, work has continued on energy flux sensitivity studies, ice surface temperature retrievals, corrections to Advanced Very High Resolution Radiometer (AVHRR) thermal infrared data, modelling of cloud fraction retrievals, and radiation climatologies. We tentatively conclude that the SSM/I may not provide accurate enough estimates of ice concentration and type to improve our shorter term energy flux estimates. SSM/I derived parameters may still be applicable in longer term climatological flux characterizations. We hold promise for a system coupling observation to a ice deformation model. Such a model may provide information on ice distribution which can be used in energy flux calculations. Considerable variation was found in modelled energy flux estimates when bulk transfer coefficients are modulated by lead fetch. It is still unclear what the optimum formulation is and this will be the subject of further work. Data sets for ice surface temperature retrievals were assembled and preliminary data analysis was started. Finally, construction of a conceptual framework for further modelling of the Arctic radiation flux climatology was started.

Stochastic many-particle model for LFP electrodes

NASA Astrophysics Data System (ADS)

Guhlke, Clemens; Gajewski, Paul; Maurelli, Mario; Friz, Peter K.; Dreyer, Wolfgang

2018-02-01

In the framework of non-equilibrium thermodynamics, we derive a new model for many-particle electrodes. The model is applied to LiFePO4 (LFP) electrodes consisting of many LFP particles of nanometer size. The phase transition from a lithium-poor to a lithium-rich phase within LFP electrodes is controlled by both different particle sizes and surface fluctuations leading to a system of stochastic differential equations. An explicit relation between battery voltage and current controlled by the thermodynamic state variables is derived. This voltage-current relation reveals that in thin LFP electrodes lithium intercalation from the particle surfaces into the LFP particles is the principal rate-limiting process. There are only two constant kinetic parameters in the model describing the intercalation rate and the fluctuation strength, respectively. The model correctly predicts several features of LFP electrodes, viz. the phase transition, the observed voltage plateaus, hysteresis and the rate-limiting capacity. Moreover we study the impact of both the particle size distribution and the active surface area on the voltage-charge characteristics of the electrode. Finally we carefully discuss the phase transition for varying charging/discharging rates.

New Observationally-Based Metrics for the Analysis of Coupled Climate Model and Earth System Model Simulations of the Southern Ocean

NASA Astrophysics Data System (ADS)

Russell, J. L.

2014-12-01

The exchange of heat and carbon dioxide between the atmosphere and ocean are major controls on Earth's climate under conditions of anthropogenic forcing. The Southern Ocean south of 30°S, occupying just over ¼ of the surface ocean area, accounts for a disproportionate share of the vertical exchange of properties between the deep and surface waters of the ocean and between the surface ocean and the atmosphere; thus this region can be disproportionately influential on the climate system. Despite the crucial role of the Southern Ocean in the climate system, understanding of the particular mechanisms involved remains inadequate, and the model studies underlying many of these results are highly controversial. As part of the overall goal of working toward reducing uncertainties in climate projections, we present an analysis using new data/model metrics based on a unified framework of theory, quantitative datasets, and numerical modeling. These new metrics quantify the mechanisms, processes, and tendencies relevant to the role of the Southern Ocean in climate.

Student Learning of Complex Earth Systems: Conceptual Frameworks of Earth Systems and Instructional Design

ERIC Educational Resources Information Center

Scherer, Hannah H.; Holder, Lauren; Herbert, Bruce

2017-01-01

Engaging students in authentic problem solving concerning environmental issues in near-surface complex Earth systems involves both developing student conceptualization of Earth as a system and applying that scientific knowledge using techniques that model those used by professionals. In this first paper of a two-part series, we review the state of…

Monte Carlo Solution to Find Input Parameters in Systems Design Problems

NASA Astrophysics Data System (ADS)

Arsham, Hossein

2013-06-01

Most engineering system designs, such as product, process, and service design, involve a framework for arriving at a target value for a set of experiments. This paper considers a stochastic approximation algorithm for estimating the controllable input parameter within a desired accuracy, given a target value for the performance function. Two different problems, what-if and goal-seeking problems, are explained and defined in an auxiliary simulation model, which represents a local response surface model in terms of a polynomial. A method of constructing this polynomial by a single run simulation is explained. An algorithm is given to select the design parameter for the local response surface model. Finally, the mean time to failure (MTTF) of a reliability subsystem is computed and compared with its known analytical MTTF value for validation purposes.

A THREE-DIMENSIONAL BABCOCK-LEIGHTON SOLAR DYNAMO MODEL

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

Miesch, Mark S.; Dikpati, Mausumi, E-mail: miesch@ucar.edu

We present a three-dimensional (3D) kinematic solar dynamo model in which poloidal field is generated by the emergence and dispersal of tilted sunspot pairs (more generally bipolar magnetic regions, or BMRs). The axisymmetric component of this model functions similarly to previous 2.5 dimensional (2.5D, axisymmetric) Babcock-Leighton (BL) dynamo models that employ a double-ring prescription for poloidal field generation but we generalize this prescription into a 3D flux emergence algorithm that places BMRs on the surface in response to the dynamo-generated toroidal field. In this way, the model can be regarded as a unification of BL dynamo models (2.5D in radius/latitude)more » and surface flux transport models (2.5D in latitude/longitude) into a more self-consistent framework that builds on the successes of each while capturing the full 3D structure of the evolving magnetic field. The model reproduces some basic features of the solar cycle including an 11 yr periodicity, equatorward migration of toroidal flux in the deep convection zone, and poleward propagation of poloidal flux at the surface. The poleward-propagating surface flux originates as trailing flux in BMRs, migrates poleward in multiple non-axisymmetric streams (made axisymmetric by differential rotation and turbulent diffusion), and eventually reverses the polar field, thus sustaining the dynamo. In this Letter we briefly describe the model, initial results, and future plans.« less

Study of Huizhou architecture component point cloud in surface reconstruction

NASA Astrophysics Data System (ADS)

Zhang, Runmei; Wang, Guangyin; Ma, Jixiang; Wu, Yulu; Zhang, Guangbin

2017-06-01

Surface reconfiguration softwares have many problems such as complicated operation on point cloud data, too many interaction definitions, and too stringent requirements for inputing data. Thus, it has not been widely popularized so far. This paper selects the unique Huizhou Architecture chuandou wooden beam framework as the research object, and presents a complete set of implementation in data acquisition from point, point cloud preprocessing and finally implemented surface reconstruction. Firstly, preprocessing the acquired point cloud data, including segmentation and filtering. Secondly, the surface’s normals are deduced directly from the point cloud dataset. Finally, the surface reconstruction is studied by using Greedy Projection Triangulation Algorithm. Comparing the reconstructed model with the three-dimensional surface reconstruction softwares, the results show that the proposed scheme is more smooth, time efficient and portable.

Restoring 2D content from distorted documents.

PubMed

Brown, Michael S; Sun, Mingxuan; Yang, Ruigang; Yun, Lin; Seales, W Brent

2007-11-01

This paper presents a framework to restore the 2D content printed on documents in the presence of geometric distortion and non-uniform illumination. Compared with textbased document imaging approaches that correct distortion to a level necessary to obtain sufficiently readable text or to facilitate optical character recognition (OCR), our work targets nontextual documents where the original printed content is desired. To achieve this goal, our framework acquires a 3D scan of the document's surface together with a high-resolution image. Conformal mapping is used to rectify geometric distortion by mapping the 3D surface back to a plane while minimizing angular distortion. This conformal "deskewing" assumes no parametric model of the document's surface and is suitable for arbitrary distortions. Illumination correction is performed by using the 3D shape to distinguish content gradient edges from illumination gradient edges in the high-resolution image. Integration is performed using only the content edges to obtain a reflectance image with significantly less illumination artifacts. This approach makes no assumptions about light sources and their positions. The results from the geometric and photometric correction are combined to produce the final output.

Modeling dynamics of large tabular icebergs submerged in the ocean

NASA Astrophysics Data System (ADS)

Adcroft, A.; Stern, A. A.; Sergienko, O. V.

2017-12-01

Large tabular icebergs account for a major fraction of the ice calved from the Antarctic ice shelves, and have long lifetimes due to their size. They drift for long distances, interacting with the local ocean circulation, impacting bottom-water formation, sea-ice formation, and biological productivity in the vicinity of the icebergs. However, due to their large horizontal extent and mass, it is challenging to consistently represent large tabular icebergs in global ocean circulation models and so large tabular icebergs are not currently represented in climate models. In this study we develop a novel framework to model large tabular icebergs submerged in the ocean. In this framework, a tabular iceberg is represented by a collection of Lagrangian elements that are linked through rigid bonds. The Lagrangian elements are finite-area modifications of the point-particles used in previous studies to represent small icebergs. These elements interact with the ocean by exerting pressure on the ocean surface, and through melt water and momentum exchange. A breaking of the rigid bonds allows the model to emulate calving events (i.e. detachment of a tabular iceberg from an ice shelf), and to emulate the breaking up of tabular icebergs into smaller pieces. Idealized simulations of the calving of a tabular iceberg, subsequent drift and breakup, demonstrate the capabilities of the new framework with a promise that climate models may soon be able to represent large tabular icebergs.

Large-Eddy Simulations of Fully Developed Turbulent Channel and Pipe Flows with Smooth and Rough Walls

NASA Astrophysics Data System (ADS)

Saito, Namiko

Studies in turbulence often focus on two flow conditions, both of which occur frequently in real-world flows and are sought-after for their value in advancing turbulence theory. These are the high Reynolds number regime and the effect of wall surface roughness. In this dissertation, a Large-Eddy Simulation (LES) recreates both conditions over a wide range of Reynolds numbers Retau = O(102) - O(108) and accounts for roughness by locally modeling the statistical effects of near-wall anisotropic fine scales in a thin layer immediately above the rough surface. A subgrid, roughness-corrected wall model is introduced to dynamically transmit this modeled information from the wall to the outer LES, which uses a stretched-vortex subgrid-scale model operating in the bulk of the flow. Of primary interest is the Reynolds number and roughness dependence of these flows in terms of first and second order statistics. The LES is first applied to a fully turbulent uniformly-smooth/rough channel flow to capture the flow dynamics over smooth, transitionally rough and fully rough regimes. Results include a Moody-like diagram for the wall averaged friction factor, believed to be the first of its kind obtained from LES. Confirmation is found for experimentally observed logarithmic behavior in the normalized stream-wise turbulent intensities. Tight logarithmic collapse, scaled on the wall friction velocity, is found for smooth-wall flows when Re tau ≥ O(106) and in fully rough cases. Since the wall model operates locally and dynamically, the framework is used to investigate non-uniform roughness distribution cases in a channel, where the flow adjustments to sudden surface changes are investigated. Recovery of mean quantities and turbulent statistics after transitions are discussed qualitatively and quantitatively at various roughness and Reynolds number levels. The internal boundary layer, which is defined as the border between the flow affected by the new surface condition and the unaffected part, is computed, and a collapse of the profiles on a length scale containing the logarithm of friction Reynolds number is presented. Finally, we turn to the possibility of expanding the present framework to accommodate more general geometries. As a first step, the whole LES framework is modified for use in the curvilinear geometry of a fully-developed turbulent pipe flow, with implementation carried out in a spectral element solver capable of handling complex wall profiles. The friction factors have shown favorable agreement with the superpipe data, and the LES estimates of the Karman constant and additive constant of the log-law closely match values obtained from experiment.

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.

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.

Analysis of diffusion in curved surfaces and its application to tubular membranes

PubMed Central

Klaus, Colin James Stockdale; Raghunathan, Krishnan; DiBenedetto, Emmanuele; Kenworthy, Anne K.

2016-01-01

Diffusion of particles in curved surfaces is inherently complex compared with diffusion in a flat membrane, owing to the nonplanarity of the surface. The consequence of such nonplanar geometry on diffusion is poorly understood but is highly relevant in the case of cell membranes, which often adopt complex geometries. To address this question, we developed a new finite element approach to model diffusion on curved membrane surfaces based on solutions to Fick’s law of diffusion and used this to study the effects of geometry on the entry of surface-bound particles into tubules by diffusion. We show that variations in tubule radius and length can distinctly alter diffusion gradients in tubules over biologically relevant timescales. In addition, we show that tubular structures tend to retain concentration gradients for a longer time compared with a comparable flat surface. These findings indicate that sorting of particles along the surfaces of tubules can arise simply as a geometric consequence of the curvature without any specific contribution from the membrane environment. Our studies provide a framework for modeling diffusion in curved surfaces and suggest that biological regulation can emerge purely from membrane geometry. PMID:27733625

[Reinforcement for overdentures on abutment teeth].

PubMed

Osada, Tomoko

2006-04-01

This study investigated the effect of the position of reinforcement wires, differences in artificial teeth, and framework designs on the breaking strength of overdentures. The basal surfaces of composite resin teeth and acrylic resin teeth were removed using a carbide bur. A reinforcement wire or a wrought palatal bar was embedded near the occlusal surface or basal surface. Four types of framework structures were designed : conventional skeleton (skeleton), housing with skeleton (housing), housing plus short metal backing (metal backing), and housing plus long metal backing (double structure). After the wires, bars, and frameworks were sand-blasted with 50 microm Al(2)O(3) powder, they were primed with a metal primer and embedded in a heat-polymerized denture base resin. The breaking strengths (N) and maximum stiffness (N/mm) of two-week aged (37 degrees C) specimens were measured using a bending test (n=8). All data obtained at a crosshead speed of 2.0 mm/min were analyzed by ANOVA/Tukey's test (alpha=0.01). There were no statistical differences between the two kinds of artificial teeth (p>0.01). The wrought palatal bar had significantly higher strength than the reinforcement wire (p<0.01). Greater strengths were found for specimens with frameworks than those without frameworks (p<0.01). The breaking strength of the wrought palatal bar embedded near the occlusal surface was higher than that on the basal surface (p>0.01). The breaking strength and maximum stiffness of the double structure framework were significantly greater (p<0.01) than those of the conventional frameworks. The breaking strengths of overdentures were influenced by the size and position of the reinforcement wires. Double structure frameworks are recommended for overdentures to promote a long-term prognosis without denture breakage.

Viscoelastic modeling of the fusion of multicellular tumor spheroids in growth phase.

PubMed

Dechristé, Guillaume; Fehrenbach, Jérôme; Griseti, Elena; Lobjois, Valérie; Poignard, Clair

2018-06-08

Since several decades, the experiments have highlighted the analogy of fusing cell aggregates with liquid droplets. The physical macroscopic models have been derived under incompressible assumptions. The aim of this paper is to provide a 3D model of growing spheroids, which is more relevant regarding embryo cell aggregates or tumor cell spheroids. We extend the past approach to a compressible 3D framework in order to account for the tumor spheroid growth. We exhibit the crucial importance of the effective surface tension, and of the inner pressure of the spheroid to describe precisely the fusion. The experimental data were obtained on spheroids of colon carcinoma human cells (HCT116 cell line). After 3 or 6 days of culture, two identical spheroids were transferred in one well and their fusion was monitored by live videomicroscopy acquisition each 2 h during 72 h. From these images the neck radius and the diameter of the assembly of the fusing spheroids are extracted. The numerical model is fitted with the experiments. It is worth noting that the time evolution of both neck radius and spheroid diameter are quantitatively obtained. The interesting feature lies in the fact that such measurements characterise the macroscopic rheological properties of the tumor spheroids. The experimental determination of the kinetics of neck radius and overall diameter during spheroids fusion characterises the rheological properties of the spheroids. The consistency of the model is shown by fitting the model with two different experiments, enhancing the importance of both surface tension and cell proliferation. The paper sheds new light on the macroscopic rheological properties of tumor spheroids. It emphasizes the role of the surface tension and the inner pressure in the fusion of growing spheroid. Under geometrical assumptions, the model reduces to a 2-parameter differential equation fit with experimental measurements. The 3-D partial differential system makes it possible to study the fusion of spheroids in non-symmetrical or more general frameworks. Copyright © 2018 Elsevier Ltd. All rights reserved.

Revealing the effect of edge contamination on vortex matter structure in a Nb single crystal with neutron diffraction techniques

NASA Astrophysics Data System (ADS)

Hanson, Helen; Wang, Xi; Luk, Michael; Shi, Jing; Ling, Xinsheng; Maranville, Brian; Majkrzak, Charles

2011-03-01

The vortex matter of type II superconductors provides a model system to study the effect of quenched random disorder on an elastic lattice, particularly in the framework of Bragg glass theory. Neutron scattering techniques are used to examine the structure of the vortex matter and to quantify the phase diagram. After measuring various thermal-magnetic histories, our data provided evidence for the edge contamination model in a Nb single crystal. Since surface oxidation is known to suppress the Bean-Livingston Surface barrier and the inhomogeneous distribution of surface impurities in Nb, we oxidize our sample surface and repeat our measurements. By comparing the data, we are able isolate the dynamic impact of the edge disorder from the static influence of bulk pinning. We discuss the various experimental obstacles in measuring the predicted Bragg glass state. We also report on Reverse Monte Carlo Refinement simulations modeling possible structures of our vortex matter. This research was supported by the U.S. DOE under grant DE- FG 02 - 07 ER46458.

Development of solute transport models in YMPYRÄ framework to simulate solute migration in military shooting and training areas

NASA Astrophysics Data System (ADS)

Warsta, L.; Karvonen, T.

2017-12-01

There are currently 25 shooting and training areas in Finland managed by The Finnish Defence Forces (FDF), where military activities can cause contamination of open waters and groundwater reservoirs. In the YMPYRÄ project, a computer software framework is being developed that combines existing open environmental data and proprietary information collected by FDF with computational models to investigate current and prevent future environmental problems. A data centric philosophy is followed in the development of the system, i.e. the models are updated and extended to handle available data from different areas. The results generated by the models are summarized as easily understandable flow and risk maps that can be opened in GIS programs and used in environmental assessments by experts. Substances investigated with the system include explosives and metals such as lead, and both surface and groundwater dominated areas can be simulated. The YMPYRÄ framework is composed of a three dimensional soil and groundwater flow model, several solute transport models and an uncertainty assessment system. Solute transport models in the framework include particle based, stream tube and finite volume based approaches. The models can be used to simulate solute dissolution from source area, transport in the unsaturated layers to groundwater and finally migration in groundwater to water extraction wells and springs. The models can be used to simulate advection, dispersion, equilibrium adsorption on soil particles, solubility and dissolution from solute phase and dendritic solute decay chains. Correct numerical solutions were confirmed by comparing results to analytical 1D and 2D solutions and by comparing the numerical solutions to each other. The particle based and stream tube type solute transport models were useful as they could complement the traditional finite volume based approach which in certain circumstances produced numerical dispersion due to piecewise solution of the governing equations in computational grids and included computationally intensive and in some cases unstable iterative solutions. The YMPYRÄ framework is being developed by WaterHope, Gain Oy, and SITO Oy consulting companies and funded by FDF.

Animation control of surface motion capture.

PubMed

Tejera, Margara; Casas, Dan; Hilton, Adrian

2013-12-01

Surface motion capture (SurfCap) of actor performance from multiple view video provides reconstruction of the natural nonrigid deformation of skin and clothing. This paper introduces techniques for interactive animation control of SurfCap sequences which allow the flexibility in editing and interactive manipulation associated with existing tools for animation from skeletal motion capture (MoCap). Laplacian mesh editing is extended using a basis model learned from SurfCap sequences to constrain the surface shape to reproduce natural deformation. Three novel approaches for animation control of SurfCap sequences, which exploit the constrained Laplacian mesh editing, are introduced: 1) space–time editing for interactive sequence manipulation; 2) skeleton-driven animation to achieve natural nonrigid surface deformation; and 3) hybrid combination of skeletal MoCap driven and SurfCap sequence to extend the range of movement. These approaches are combined with high-level parametric control of SurfCap sequences in a hybrid surface and skeleton-driven animation control framework to achieve natural surface deformation with an extended range of movement by exploiting existing MoCap archives. Evaluation of each approach and the integrated animation framework are presented on real SurfCap sequences for actors performing multiple motions with a variety of clothing styles. Results demonstrate that these techniques enable flexible control for interactive animation with the natural nonrigid surface dynamics of the captured performance and provide a powerful tool to extend current SurfCap databases by incorporating new motions from MoCap sequences.

Forcing and Responses of the Surface Energy Budget at Summit, Greenland

NASA Astrophysics Data System (ADS)

Miller, Nathaniel B.

Energy exchange at the Greenland Ice Sheet surface governs surface temperature variability, a factor critical for representing increasing surface melt extent, which portends a rise in global sea level. A comprehensive set of cloud, tropospheric, near-surface and sub-surface measurements at Summit Station is utilized to determine the driving forces and subsequent responses of the surface energy budget (SEB). This budget includes radiative, turbulent, and ground heat fluxes, and ultimately controls the evolution of surface temperature. At Summit Station, clouds radiatively warm the surface in all months with an annual average cloud radiative forcing value of 33 W m -2, largely driven by the occurrence of liquid-bearing clouds. The magnitude of the surface temperature response is dependent on how turbulent and ground heat fluxes modulate changes to radiative forcing. Relationships between forcing terms and responding surface fluxes show that changes in the upwelling longwave radiation compensate for 65-85% (50- 60%) of the total change in radiative forcing in the winter (summer). The ground heat flux is the second largest response term (16% annually), especially during winter. Throughout the annual cycle, the sensible heat flux response is comparatively constant (9%) and latent heat flux response is only 1.5%, becoming more of a factor in modulating surface temperature responses during the summer. Combining annual cycles of these responses with cloud radiative forcing results, clouds warm the surface by an estimated 7.8°C annually. A reanalysis product (ERA-I), operational model (CFSv2), and climate model (CESM) are evaluated utilizing the comprehensive set of SEB observations and process-based relationships. Annually, surface temperatures in each model are warmer than observed with overall poor representation of the coldest surface temperatures. Process-based relationships between different SEB flux terms offer insight into how well a modeling framework represents physical processes and the ability to distinguish errors in forcing versus those in physical representation. Such relationships convey that all three models underestimate the response of surface temperatures to changes in radiative forcing. These results provide a method to expose model deficiencies and indicate the importance of representing surface, sub-surface and boundary-layer processes when portraying cloud impacts on surface temperature variability.

Estimation of Regional Net CO2 Exchange over the Southern Great Plains

NASA Astrophysics Data System (ADS)

Biraud, S. C.; Riley, W. J.; Fischer, M. L.; Torn, M. S.; Cooley, H. S.

2004-12-01

Estimating spatially distributed ecosystem CO2 exchange is an important component of the North American Carbon Program. We describe here a methodology to estimate Net Ecosystem Exchange (NEE) over the Southern Great Plains, using: (1) data from the Department Of Energy's Atmospheric Radiation Measurement (ARM) sites in Oklahoma and Kansas; (2) meteorological forcing data from the Mesonet facilities; (3) soil and vegetation types from 1 km resolution USGS databases; (4) vegetation status (e.g., LAI) from 1 km satellite measurements of surface reflectance (MODIS); (5) a tested land-surface model; and (6) a coupled land-surface and meteorological model (MM5/ISOLSM). This framework allows us to simulate regional surface fluxes in addition to ABL and free troposphere concentrations of CO2 at a continental scale with fine-scale nested grids centered on the ARM central facility. We use the offline land-surface and coupled models to estimate regional NEE, and compare predictions to measurements from the 9 Extended Facility sites with eddy correlation measurements. Site level comparisons to portable ECOR measurements in several crop types are also presented. Our approach also allows us to extend bottom-up estimates to periods and areas where meteorological forcing data are unavailable.

Modeling of single film bubble and numerical study of the plateau structure in foam system

NASA Astrophysics Data System (ADS)

Sun, Zhong-guo; Ni, Ni; Sun, Yi-jie; Xi, Guang

2018-02-01

The single-film bubble has a special geometry with a certain amount of gas shrouded by a thin layer of liquid film under the surface tension force both on the inside and outside surfaces of the bubble. Based on the mesh-less moving particle semi-implicit (MPS) method, a single-film double-gas-liquid-interface surface tension (SDST) model is established for the single-film bubble, which characteristically has totally two gas-liquid interfaces on both sides of the film. Within this framework, the conventional surface free energy surface tension model is improved by using a higher order potential energy equation between particles, and the modification results in higher accuracy and better symmetry properties. The complex interface movement in the oscillation process of the single-film bubble is numerically captured, as well as typical flow phenomena and deformation characteristics of the liquid film. In addition, the basic behaviors of the coalescence and connection process between two and even three single-film bubbles are studied, and the cases with bubbles of different sizes are also included. Furthermore, the classic plateau structure in the foam system is reproduced and numerically proved to be in the steady state for multi-bubble connections.

4D very high-resolution topography monitoring of surface deformation using UAV-SfM framework.

NASA Astrophysics Data System (ADS)

Clapuyt, François; Vanacker, Veerle; Schlunegger, Fritz; Van Oost, Kristof

2016-04-01

During the last years, exploratory research has shown that UAV-based image acquisition is suitable for environmental remote sensing and monitoring. Image acquisition with cameras mounted on an UAV can be performed at very-high spatial resolution and high temporal frequency in the most dynamic environments. Combined with Structure-from-Motion algorithm, the UAV-SfM framework is capable of providing digital surface models (DSM) which are highly accurate when compared to other very-high resolution topographic datasets and highly reproducible for repeated measurements over the same study area. In this study, we aim at assessing (1) differential movement of the Earth's surface and (2) the sediment budget of a complex earthflow located in the Central Swiss Alps based on three topographic datasets acquired over a period of 2 years. For three time steps, we acquired aerial photographs with a standard reflex camera mounted on a low-cost and lightweight UAV. Image datasets were then processed with the Structure-from-Motion algorithm in order to reconstruct a 3D dense point cloud representing the topography. Georeferencing of outputs has been achieved based on the ground control point (GCP) extraction method, previously surveyed on the field with a RTK GPS. Finally, digital elevation model of differences (DOD) has been computed to assess the topographic changes between the three acquisition dates while surface displacements have been quantified by using image correlation techniques. Our results show that the digital elevation model of topographic differences is able to capture surface deformation at cm-scale resolution. The mean annual displacement of the earthflow is about 3.6 m while the forefront of the landslide has advanced by ca. 30 meters over a period of 18 months. The 4D analysis permits to identify the direction and velocity of Earth movement. Stable topographic ridges condition the direction of the flow with highest downslope movement on steep slopes, and diffuse movement due to lateral sediment flux in the central part of the earthflow.

A Source-Term Based Boundary Layer Bleed/Effusion Model for Passive Shock Control

NASA Technical Reports Server (NTRS)

Baurle, Robert A.; Norris, Andrew T.

2011-01-01

A modeling framework for boundary layer effusion has been developed based on the use of source (or sink) terms instead of the usual practice of specifying bleed directly as a boundary condition. This framework allows the surface boundary condition (i.e. isothermal wall, adiabatic wall, slip wall, etc.) to remain unaltered in the presence of bleed. This approach also lends itself to easily permit the addition of empirical models for second order effects that are not easily accounted for by simply defining effective transpiration values. Two effusion models formulated for supersonic flows have been implemented into this framework; the Doerffer/Bohning law and the Slater formulation. These models were applied to unit problems that contain key aspects of the flow physics applicable to bleed systems designed for hypersonic air-breathing propulsion systems. The ability of each model to predict bulk bleed properties was assessed, as well as the response of the boundary layer as it passes through and downstream of a porous bleed system. The model assessment was performed with and without the presence of shock waves. Three-dimensional CFD simulations that included the geometric details of the porous plate bleed systems were also carried out to supplement the experimental data, and provide additional insights into the bleed flow physics. Overall, both bleed formulations fared well for the tests performed in this study. However, the sample of test problems considered in this effort was not large enough to permit a comprehensive validation of the models.

Towards building a robust computational framework to simulate multi-physics problems - a solution technique for three-phase (gas-liquid-solid) interactions

NASA Astrophysics Data System (ADS)

Zhang, Lucy

In this talk, we show a robust numerical framework to model and simulate gas-liquid-solid three-phase flows. The overall algorithm adopts a non-boundary-fitted approach that avoids frequent mesh-updating procedures by defining independent meshes and explicit interfacial points to represent each phase. In this framework, we couple the immersed finite element method (IFEM) and the connectivity-free front tracking (CFFT) method that model fluid-solid and gas-liquid interactions, respectively, for the three-phase models. The CFFT is used here to simulate gas-liquid multi-fluid flows that uses explicit interfacial points to represent the gas-liquid interface and for its easy handling of interface topology changes. Instead of defining different levels simultaneously as used in level sets, an indicator function naturally couples the two methods together to represent and track each of the three phases. Several 2-D and 3-D testing cases are performed to demonstrate the robustness and capability of the coupled numerical framework in dealing with complex three-phase problems, in particular free surfaces interacting with deformable solids. The solution technique offers accuracy and stability, which provides a means to simulate various engineering applications. The author would like to acknowledge the supports from NIH/DHHS R01-2R01DC005642-10A1 and the National Natural Science Foundation of China (NSFC) 11550110185.

Interactive Display of Surfaces Using Subdivision Surfaces and Wavelets

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

Duchaineau, M A; Bertram, M; Porumbescu, S

2001-10-03

Complex surfaces and solids are produced by large-scale modeling and simulation activities in a variety of disciplines. Productive interaction with these simulations requires that these surfaces or solids be viewable at interactive rates--yet many of these surfaced solids can contain hundreds of millions of polygondpolyhedra. Interactive display of these objects requires compression techniques to minimize storage, and fast view-dependent triangulation techniques to drive the graphics hardware. In this paper, we review recent advances in subdivision-surface wavelet compression and optimization that can be used to provide a framework for both compression and triangulation. These techniques can be used to produce suitablemore » approximations of complex surfaces of arbitrary topology, and can be used to determine suitable triangulations for display. The techniques can be used in a variety of applications in computer graphics, computer animation and visualization.« less

Characterizing convective cold pools: Characterizing Convective Cold Pools

DOE PAGES

Drager, Aryeh J.; van den Heever, Susan C.

2017-05-09

Cold pools produced by convective storms play an important role in Earth's climate system. However, a common framework does not exist for objectively identifying convective cold pools in observations and models. The present study investigates convective cold pools within a simulation of tropical continental convection that uses a cloud-resolving model with a coupled land-surface model. Multiple variables are assessed for their potential in identifying convective cold pool boundaries, and a novel technique is developed and tested for identifying and tracking cold pools in numerical model simulations. This algorithm is based on surface rainfall rates and radial gradients in the densitymore » potential temperature field. The algorithm successfully identifies near-surface cold pool boundaries and is able to distinguish between connected cold pools. Once cold pools have been identified and tracked, composites of cold pool evolution are then constructed, and average cold pool properties are investigated. Wet patches are found to develop within the centers of cold pools where the ground has been soaked with rainwater. These wet patches help to maintain cool surface temperatures and reduce cold pool dissipation, which has implications for the development of subsequent convection.« less

Characterizing convective cold pools: Characterizing Convective Cold Pools

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

Drager, Aryeh J.; van den Heever, Susan C.

Cold pools produced by convective storms play an important role in Earth's climate system. However, a common framework does not exist for objectively identifying convective cold pools in observations and models. The present study investigates convective cold pools within a simulation of tropical continental convection that uses a cloud-resolving model with a coupled land-surface model. Multiple variables are assessed for their potential in identifying convective cold pool boundaries, and a novel technique is developed and tested for identifying and tracking cold pools in numerical model simulations. This algorithm is based on surface rainfall rates and radial gradients in the densitymore » potential temperature field. The algorithm successfully identifies near-surface cold pool boundaries and is able to distinguish between connected cold pools. Once cold pools have been identified and tracked, composites of cold pool evolution are then constructed, and average cold pool properties are investigated. Wet patches are found to develop within the centers of cold pools where the ground has been soaked with rainwater. These wet patches help to maintain cool surface temperatures and reduce cold pool dissipation, which has implications for the development of subsequent convection.« less

Detailed Anatomical and Electrophysiological Models of Human Atria and Torso for the Simulation of Atrial Activation

PubMed Central

Ferrer, Ana; Sebastián, Rafael; Sánchez-Quintana, Damián; Rodríguez, José F.; Godoy, Eduardo J.; Martínez, Laura; Saiz, Javier

2015-01-01

Atrial arrhythmias, and specifically atrial fibrillation (AF), induce rapid and irregular activation patterns that appear on the torso surface as abnormal P-waves in electrocardiograms and body surface potential maps (BSPM). In recent years both P-waves and the BSPM have been used to identify the mechanisms underlying AF, such as localizing ectopic foci or high-frequency rotors. However, the relationship between the activation of the different areas of the atria and the characteristics of the BSPM and P-wave signals are still far from being completely understood. In this work we developed a multi-scale framework, which combines a highly-detailed 3D atrial model and a torso model to study the relationship between atrial activation and surface signals in sinus rhythm. Using this multi scale model, it was revealed that the best places for recording P-waves are the frontal upper right and the frontal and rear left quadrants of the torso. Our results also suggest that only nine regions (of the twenty-one structures in which the atrial surface was divided) make a significant contribution to the BSPM and determine the main P-wave characteristics. PMID:26523732

Habitat of calling blue and fin whales in the Southern California Bight

NASA Astrophysics Data System (ADS)

Sirovic, A.; Chou, E.; Roch, M. A.

2016-02-01

Northeast Pacific blue whale B calls and fin whale 20 Hz calls were detected from passive acoustic data collected over seven years at 16 sites in the Southern California Bight (SCB). Calling blue whales were most common in the coastal areas, during the summer and fall months. Fin whales began calling in fall and continued through winter, in the southcentral SCB. These data were used to develop habitat models of calling blue and fin whales in areas of high and low abundance in the SCB, using remotely sensed variables such as sea surface temperature, sea surface height, chlorophyll a, and primary productivity as model covariates. A random forest framework was used for variable selection and generalized additive models were developed to explain functional relationships, evaluate relative contribution of each significant variable, and investigate predictive abilities of models of calling whales. Seasonal component was an important feature of all models. Additionally, areas of high calling blue and fin whale abundance both had a positive relationship with the sea surface temperature. In areas of lower abundance, chlorophyll a concentration and primary productivity were important variables for blue whale models and sea surface height and primary productivity were significant covariates in fin whale models. Predictive models were generally better for predicting general trends than absolute values, but there was a large degree of variation in year-to-year predictability across different sites.

Subtypes of developmental dyslexia: testing the predictions of the dual-route and connectionist frameworks.

PubMed

Peterson, Robin L; Pennington, Bruce F; Olson, Richard K

2013-01-01

We investigated the phonological and surface subtypes of developmental dyslexia in light of competing predictions made by two computational models of single word reading, the Dual-Route Cascaded Model (DRC; Coltheart, Rastle, Perry, Langdon, & Ziegler, 2001) and Harm and Seidenberg's connectionist model (HS model; Harm & Seidenberg, 1999). The regression-outlier procedure was applied to a large sample to identify children with disproportionately poor phonological coding skills (phonological dyslexia) or disproportionately poor orthographic coding skills (surface dyslexia). Consistent with the predictions of the HS model, children with "pure" phonological dyslexia, who did not have orthographic deficits, had milder phonological impairments than children with "relative" phonological dyslexia, who did have secondary orthographic deficits. In addition, pure cases of dyslexia were more common among older children. Consistent with the predictions of the DRC model, surface dyslexia was not well conceptualized as a reading delay; both phonological and surface dyslexia were associated with patterns of developmental deviance. In addition, some results were problematic for both models. We identified a small number of individuals with severe phonological dyslexia, relatively intact orthographic coding skills, and very poor real word reading. Further, a subset of controls could read normally despite impaired orthographic coding. The findings are discussed in terms of improvements to both models that might help better account for all cases of developmental dyslexia. Copyright © 2012 Elsevier B.V. All rights reserved.

Subtypes of developmental dyslexia: Testing the predictions of the dual-route and connectionist frameworks

PubMed Central

Peterson, Robin L.; Pennington, Bruce F.; Olson, Richard K.

2012-01-01

We investigated the phonological and surface subtypes of developmental dyslexia in light of competing predictions made by two computational models of single word reading, the dual-route cascaded model (DRC; Coltheart, Rastle, Perry, Langdon, & Ziegler, 2001) and Harm and Seidenberg’s connectionist model (HS model; Harm & Seidenberg, 1999). The regression-outlier procedure was applied to a large sample to identify children with disproportionately poor phonological coding skills (phonological dyslexia) or disproportionately poor orthographic coding skills (surface dyslexia). Consistent with the predictions of the HS model, children with “pure” phonological dyslexia, who did not have orthographic deficits, had milder phonological impairments than children with “relative” phonological dyslexia, who did have secondary orthographic deficits. In addition, pure cases of dyslexia were more common among older children. Consistent with the predictions of the DRC model, surface dyslexia was not well conceptualized as a reading delay; both phonological and surface dyslexia were associated with patterns of developmental deviance. In addition, some results were problematic for both models. We identified a small number of individuals with severe phonological dyslexia, relatively intact orthographic coding skills, and very poor real word reading. Further, a subset of controls could read normally despite impaired orthographic coding. The findings are discussed in terms of improvements to both models that might help better account for all cases of developmental dyslexia. PMID:23010562

Representation of Vegetation and Other Nonerodible Elements in Aeolian Shear Stress Partitioning Models for Predicting Transport Threshold

NASA Technical Reports Server (NTRS)

King, James; Nickling, William G.; Gillies, John A.

2005-01-01

The presence of nonerodible elements is well understood to be a reducing factor for soil erosion by wind, but the limits of its protection of the surface and erosion threshold prediction are complicated by the varying geometry, spatial organization, and density of the elements. The predictive capabilities of the most recent models for estimating wind driven particle fluxes are reduced because of the poor representation of the effectiveness of vegetation to reduce wind erosion. Two approaches have been taken to account for roughness effects on sediment transport thresholds. Marticorena and Bergametti (1995) in their dust emission model parameterize the effect of roughness on threshold with the assumption that there is a relationship between roughness density and the aerodynamic roughness length of a surface. Raupach et al. (1993) offer a different approach based on physical modeling of wake development behind individual roughness elements and the partition of the surface stress and the total stress over a roughened surface. A comparison between the models shows the partitioning approach to be a good framework to explain the effect of roughness on entrainment of sediment by wind. Both models provided very good agreement for wind tunnel experiments using solid objects on a nonerodible surface. However, the Marticorena and Bergametti (1995) approach displays a scaling dependency when the difference between the roughness length of the surface and the overall roughness length is too great, while the Raupach et al. (1993) model's predictions perform better owing to the incorporation of the roughness geometry and the alterations to the flow they can cause.

Constraining the JULES land-surface model for different land-use types using citizen-science generated hydrological data

NASA Astrophysics Data System (ADS)

Chou, H. K.; Ochoa-Tocachi, B. F.; Buytaert, W.

2017-12-01

Community land surface models such as JULES are increasingly used for hydrological assessment because of their state-of-the-art representation of land-surface processes. However, a major weakness of JULES and other land surface models is the limited number of land surface parameterizations that is available. Therefore, this study explores the use of data from a network of catchments under homogeneous land-use to generate parameter "libraries" to extent the land surface parameterizations of JULES. The network (called iMHEA) is part of a grassroots initiative to characterise the hydrological response of different Andean ecosystems, and collects data on streamflow, precipitation, and several weather variables at a high temporal resolution. The tropical Andes are a useful case study because of the complexity of meteorological and geographical conditions combined with extremely heterogeneous land-use that result in a wide range of hydrological responses. We then calibrated JULES for each land-use represented in the iMHEA dataset. For the individual land-use types, the results show improved simulations of streamflow when using the calibrated parameters with respect to default values. In particular, the partitioning between surface and subsurface flows can be improved. But also, on a regional scale, hydrological modelling was greatly benefitted from constraining parameters using such distributed citizen-science generated streamflow data. This study demonstrates the modelling and prediction on regional hydrology by integrating citizen science and land surface model. In the context of hydrological study, the limitation of data scarcity could be solved indeed by using this framework. Improved predictions of such impacts could be leveraged by catchment managers to guide watershed interventions, to evaluate their effectiveness, and to minimize risks.

Applications of the SWOT Mission to Reservoirs in the Mekong River Basin

NASA Astrophysics Data System (ADS)

Bonnema, M.; Hossain, F.

2017-12-01

The forthcoming Surface Water and Ocean Topography (SWOT) mission has the potential to significantly improve our ability to observe artificial reservoirs globally from a remote sensing perspective. By providing simultaneous estimates of reservoir water surface extent and elevation with near global coverage, reservoir storage changes can be estimated. Knowing how reservoir storage changes over time is critical for understanding reservoir impacts on river systems. In data limited regions, remote sensing is often the only viable method of retrieving such information about reservoir operations. When SWOT launches in 2021, it will join an array of satellite sensors with long histories of reservoir observation and monitoring capabilities. There are many potential synergies in the complimentary use of future SWOT observations with observations from current satellite sensors. The work presented here explores the potential benefits of utilizing SWOT observations over 20 reservoirs in the Mekong River Basin. The SWOT hydrologic simulator, developed by NASA Jet Propulsion Laboratory, is used to generate realistic SWOT observations, which are then inserted into a previously established remote sensing modeling framework of the 20 Mekong Basin reservoirs. This framework currently combines data from Landsat missions, Jason radar altimeters, and the Shuttle Radar and Topography Mission (SRTM), to provide monthly estimates of reservoir storage change. The incorporation of SWOT derived reservoir surface area and elevation into the model is explored in an effort to improve both accuracy and temporal resolution of observed reservoir operations.

The UKC2 regional coupled environmental prediction system

NASA Astrophysics Data System (ADS)

Lewis, Huw W.; Castillo Sanchez, Juan Manuel; Graham, Jennifer; Saulter, Andrew; Bornemann, Jorge; Arnold, Alex; Fallmann, Joachim; Harris, Chris; Pearson, David; Ramsdale, Steven; Martínez-de la Torre, Alberto; Bricheno, Lucy; Blyth, Eleanor; Bell, Victoria A.; Davies, Helen; Marthews, Toby R.; O'Neill, Clare; Rumbold, Heather; O'Dea, Enda; Brereton, Ashley; Guihou, Karen; Hines, Adrian; Butenschon, Momme; Dadson, Simon J.; Palmer, Tamzin; Holt, Jason; Reynard, Nick; Best, Martin; Edwards, John; Siddorn, John

2018-01-01

It is hypothesized that more accurate prediction and warning of natural hazards, such as of the impacts of severe weather mediated through various components of the environment, require a more integrated Earth System approach to forecasting. This hypothesis can be explored using regional coupled prediction systems, in which the known interactions and feedbacks between different physical and biogeochemical components of the environment across sky, sea and land can be simulated. Such systems are becoming increasingly common research tools. This paper describes the development of the UKC2 regional coupled research system, which has been delivered under the UK Environmental Prediction Prototype project. This provides the first implementation of an atmosphere-land-ocean-wave modelling system focussed on the United Kingdom and surrounding seas at km-scale resolution. The UKC2 coupled system incorporates models of the atmosphere (Met Office Unified Model), land surface with river routing (JULES), shelf-sea ocean (NEMO) and ocean waves (WAVEWATCH III). These components are coupled, via OASIS3-MCT libraries, at unprecedentedly high resolution across the UK within a north-western European regional domain. A research framework has been established to explore the representation of feedback processes in coupled and uncoupled modes, providing a new research tool for UK environmental science. This paper documents the technical design and implementation of UKC2, along with the associated evaluation framework. An analysis of new results comparing the output of the coupled UKC2 system with relevant forced control simulations for six contrasting case studies of 5-day duration is presented. Results demonstrate that performance can be achieved with the UKC2 system that is at least comparable to its component control simulations. For some cases, improvements in air temperature, sea surface temperature, wind speed, significant wave height and mean wave period highlight the potential benefits of coupling between environmental model components. Results also illustrate that the coupling itself is not sufficient to address all known model issues. Priorities for future development of the UK Environmental Prediction framework and component systems are discussed.

Dynamic Roughness Ratio-Based Framework for Modeling Mixed Mode of Droplet Evaporation.

PubMed

Gunjan, Madhu Ranjan; Raj, Rishi

2017-07-18

The spatiotemporal evolution of an evaporating sessile droplet and its effect on lifetime is crucial to various disciplines of science and technology. Although experimental investigations suggest three distinct modes through which a droplet evaporates, namely, the constant contact radius (CCR), the constant contact angle (CCA), and the mixed, only the CCR and the CCA modes have been modeled reasonably. Here we use experiments with water droplets on flat and micropillared silicon substrates to characterize the mixed mode. We visualize that a perfect CCA mode after the initial CCR mode is an idealization on a flat silicon substrate, and the receding contact line undergoes intermittent but recurring pinning (CCR mode) as it encounters fresh contaminants on the surface. The resulting increase in roughness lowers the contact angle of the droplet during these intermittent CCR modes until the next depinning event, followed by the CCA mode of evaporation. The airborne contaminants in our experiments are mostly loosely adhered to the surface and travel along with the receding contact line. The resulting gradual increase in the apparent roughness and hence the extent of CCR mode over CCA mode forces appreciable decrease in the contact angle observed during the mixed mode of evaporation. Unlike loosely adhered airborne contaminants on flat samples, micropillars act as fixed roughness features. The apparent roughness fluctuates about the mean value as the contact line recedes between pillars. Evaporation on these surfaces exhibits stick-jump motion with a short-duration mixed mode toward the end when the droplet size becomes comparable to the pillar spacing. We incorporate this dynamic roughness into a classical evaporation model to accurately predict the droplet evolution throughout the three modes, for both flat and micropillared silicon surfaces. We believe that this framework can also be extended to model the evaporation of nanofluids and the coffee-ring effect, among others.

An Open Source Framework for Coupled Hydro-Hydrogeo-Chemical Systems in Catchment Research

NASA Astrophysics Data System (ADS)

Delfs, J.; Sachse, A.; Gayler, S.; Grathwohl, P.; He, W.; Jang, E.; Kalbacher, T.; Klein, C.; Kolditz, O.; Maier, U.; Priesack, E.; Rink, K.; Selle, B.; Shao, H.; Singh, A. K.; Streck, T.; Sun, Y.; Wang, W.; Walther, M.

2013-12-01

This poster presents an open-source framework designed to assist water scientists in the study of catchment hydraulic functions with associated chemical processes, e.g. contaminant degradation, plant nutrient turnover. The model successfully calculates the feedbacks between surface water, subsurface water and air in standard benchmarks. In specific model applications to heterogeneous catchments, subsurface water is driven by density variations and runs through double porous media. Software codes of water science are tightly coupled by iteration, namely the Storm Water Management Model (SWMM) for urban runoff, Expert-N for simulating water fluxes and nutrient turnover in agricultural and forested soils, and OpenGeoSys (OGS) for groundwater. The coupled model calculates flow of hydrostatic shallow water over the land surface with finite volume and difference methods. The flow equations for water in the porous subsurface are discretized in space with finite elements. Chemical components are transferred through 1D, 2D or 3D watershed representations with advection-dispersion solvers or, as an alternative, random walk particle tracking. A transport solver can be in sequence with a chemical solver, e.g. PHREEQ-C, BRNS, additionally. Besides coupled partial differential equations, the concept of hydrological response units is employed in simulations at regional scale with scarce data availability. In this case, a conceptual hydrological model, specifically the Jena Adaptable Modeling System (JAMS), passes groundwater recharge through a software interface into OGS, which solves the partial differential equations of groundwater flow. Most components of the modeling framework are open source and can be modified for individual purposes. Applications range from temperate climate regions in Germany (Ammer catchment and Hessian Ried) to arid regions in the Middle East (Oman and Dead See). Some of the presented examples originate from intensively monitored research sites of the WESS research centre and the monitoring initiative TERENO. Other examples originate from the IWAS project on integrated water resources management. The model applications are primarily concerned with groundwater resources, which are endangered by overexploitation, intrusion of saltwater, and nitrate loads.

A framework for longitudinal data analysis via shape regression

NASA Astrophysics Data System (ADS)

Fishbaugh, James; Durrleman, Stanley; Piven, Joseph; Gerig, Guido

2012-02-01

Traditional longitudinal analysis begins by extracting desired clinical measurements, such as volume or head circumference, from discrete imaging data. Typically, the continuous evolution of a scalar measurement is estimated by choosing a 1D regression model, such as kernel regression or fitting a polynomial of fixed degree. This type of analysis not only leads to separate models for each measurement, but there is no clear anatomical or biological interpretation to aid in the selection of the appropriate paradigm. In this paper, we propose a consistent framework for the analysis of longitudinal data by estimating the continuous evolution of shape over time as twice differentiable flows of deformations. In contrast to 1D regression models, one model is chosen to realistically capture the growth of anatomical structures. From the continuous evolution of shape, we can simply extract any clinical measurements of interest. We demonstrate on real anatomical surfaces that volume extracted from a continuous shape evolution is consistent with a 1D regression performed on the discrete measurements. We further show how the visualization of shape progression can aid in the search for significant measurements. Finally, we present an example on a shape complex of the brain (left hemisphere, right hemisphere, cerebellum) that demonstrates a potential clinical application for our framework.

Static and sliding contact of rough surfaces: Effect of asperity-scale properties and long-range elastic interactions

NASA Astrophysics Data System (ADS)

Hulikal, Srivatsan; Lapusta, Nadia; Bhattacharya, Kaushik

2018-07-01

Friction in static and sliding contact of rough surfaces is important in numerous physical phenomena. We seek to understand macroscopically observed static and sliding contact behavior as the collective response of a large number of microscopic asperities. To that end, we build on Hulikal et al. (2015) and develop an efficient numerical framework that can be used to investigate how the macroscopic response of multiple frictional contacts depends on long-range elastic interactions, different constitutive assumptions about the deforming contacts and their local shear resistance, and surface roughness. We approximate the contact between two rough surfaces as that between a regular array of discrete deformable elements attached to a elastic block and a rigid rough surface. The deformable elements are viscoelastic or elasto/viscoplastic with a range of relaxation times, and the elastic interaction between contacts is long-range. We find that the model reproduces the main macroscopic features of evolution of contact and friction for a range of constitutive models of the elements, suggesting that macroscopic frictional response is robust with respect to the microscopic behavior. Viscoelasticity/viscoplasticity contributes to the increase of friction with contact time and leads to a subtle history dependence. Interestingly, long-range elastic interactions only change the results quantitatively compared to the meanfield response. The developed numerical framework can be used to study how specific observed macroscopic behavior depends on the microscale assumptions. For example, we find that sustained increase in the static friction coefficient during long hold times suggests viscoelastic response of the underlying material with multiple relaxation time scales. We also find that the experimentally observed proportionality of the direct effect in velocity jump experiments to the logarithm of the velocity jump points to a complex material-dependent shear resistance at the microscale.

A simple and accurate rule-based modeling framework for simulation of autocrine/paracrine stimulation of glioblastoma cell motility and proliferation by L1CAM in 2-D culture.

PubMed

Caccavale, Justin; Fiumara, David; Stapf, Michael; Sweitzer, Liedeke; Anderson, Hannah J; Gorky, Jonathan; Dhurjati, Prasad; Galileo, Deni S

2017-12-11

Glioblastoma multiforme (GBM) is a devastating brain cancer for which there is no known cure. Its malignancy is due to rapid cell division along with high motility and invasiveness of cells into the brain tissue. Simple 2-dimensional laboratory assays (e.g., a scratch assay) commonly are used to measure the effects of various experimental perturbations, such as treatment with chemical inhibitors. Several mathematical models have been developed to aid the understanding of the motile behavior and proliferation of GBM cells. However, many are mathematically complicated, look at multiple interdependent phenomena, and/or use modeling software not freely available to the research community. These attributes make the adoption of models and simulations of even simple 2-dimensional cell behavior an uncommon practice by cancer cell biologists. Herein, we developed an accurate, yet simple, rule-based modeling framework to describe the in vitro behavior of GBM cells that are stimulated by the L1CAM protein using freely available NetLogo software. In our model L1CAM is released by cells to act through two cell surface receptors and a point of signaling convergence to increase cell motility and proliferation. A simple graphical interface is provided so that changes can be made easily to several parameters controlling cell behavior, and behavior of the cells is viewed both pictorially and with dedicated graphs. We fully describe the hierarchical rule-based modeling framework, show simulation results under several settings, describe the accuracy compared to experimental data, and discuss the potential usefulness for predicting future experimental outcomes and for use as a teaching tool for cell biology students. It is concluded that this simple modeling framework and its simulations accurately reflect much of the GBM cell motility behavior observed experimentally in vitro in the laboratory. Our framework can be modified easily to suit the needs of investigators interested in other similar intrinsic or extrinsic stimuli that influence cancer or other cell behavior. This modeling framework of a commonly used experimental motility assay (scratch assay) should be useful to both researchers of cell motility and students in a cell biology teaching laboratory.

Coupled hydrological, ecological, decision and economic models for monetary valuation of riparian ecosystem services

NASA Astrophysics Data System (ADS)

Goodrich, D. C.; Brookshire, D.; Broadbent, C.; Dixon, M. D.; Brand, L. A.; Thacher, J.; Benedict, K. K.; Lansey, K. E.; Stromberg, J. C.; Stewart, S.; McIntosh, M.

2011-12-01

Water is a critical component for sustaining both natural and human systems. Yet the value of water for sustaining ecosystem services is not well quantified in monetary terms. Ideally decisions involving water resource management would include an apples-to-apples comparison of the costs and benefits in dollars of both market and non-market goods and services - human and ecosystem. To quantify the value of non-market ecosystem services, scientifically defensible relationships must be developed that link the effect of a decision (e.g. human growth) to the change in ecosystem attributes from current conditions. It is this linkage that requires the "poly-disciplinary" coupling of knowledge and models from the behavioral, physical, and ecological sciences. In our experience another key component of making this successful linkage is development of a strong poly-disciplinary scientific team that can readily communicate complex disciplinary knowledge to non-specialists outside their own discipline. The time to build such a team that communicates well and has a strong sense of trust should not be underestimated. The research described in the presentation incorporated hydrologic, vegetation, avian, economic, and decision models into an integrated framework to determine the value of changes in ecological systems that result from changes in human water use. We developed a hydro-bio-economic framework for the San Pedro River Region in Arizona that considers groundwater, stream flow, and riparian vegetation, as well as abundance, diversity, and distribution of birds. In addition, we developed a similar framework for the Middle Rio Grande of New Mexico. There are six research components for this project: (1) decision support and scenario specification, (2) regional groundwater model, (3) the riparian vegetation model, (4) the avian model, (5) methods for displaying the information gradients in the valuation survey instruments (Choice Modeling and Contingent Valuation), and (6) the economic framework. Our modeling framework began with the identification of factors that influence spatial and temporal changes in riparian vegetation on the two rivers. The linked modeling framework was then employed for making spatial predictions of the changes in presence of surface water, vegetation change, and avian populations in both river systems. An overview of the overall project will be provided, with lessons learned, and initial valuation survey results.

Biological applications of zinc imidazole framework through protein encapsulation

NASA Astrophysics Data System (ADS)

Kumar, Pawan; Bansal, Vasudha; Paul, A. K.; Bharadwaj, Lalit M.; Deep, Akash; Kim, Ki-Hyun

2016-10-01

The robustness of biomolecules is always a significant challenge in the application of biostorage in biotechnology or pharmaceutical research. To learn more about biostorage in porous materials, we investigated the feasibility of using zeolite imidazolate framework (ZIF-8) with respect to protein encapsulation. Here, bovine serum albumin (BSA) was selected as a model protein for encapsulation with the synthesis of ZIF-8 using water as a media. ZIF-8 exhibited excellent protein adsorption capacity through successive adsorption of free BSA with the formation of hollow crystals. The loading of protein in ZIF-8 crystals is affected by the molecular weight due to diffusion-limited permeation inside the crystals and also by the affinity of the protein to the pendent group on the ZIF-8 surface. The polar nature of BSA not only supported adsorption on the solid surface, but also enhanced the affinity of crystal spheres through weak coordination interactions with the ZIF-8 framework. The novel approach tested in this study was therefore successful in achieving protein encapsulation with porous, biocompatible, and decomposable microcrystalline ZIF-8. The presence of both BSA and FITC-BSA in ZIF-8 was confirmed consistently by spectroscopy as well as optical and electron microscopy.

LQR Control of Shell Vibrations Via Piezoceramic Actuators

NASA Technical Reports Server (NTRS)

delRosario, R. C. H.; Smith, R. C.

1997-01-01

A model-based Linear Quadratic Regulator (LQR) method for controlling vibrations in cylindrical shells is presented. Surface-mounted piezo-ceramic patches are employed as actuators which leads to unbounded control input operators. Modified Donnell-Mushtari shell equations incorporating strong or Kelvin-Voigt damping are used to model the system. The model is then abstractly formulated in terms of sesquilinear forms. This provides a framework amenable for proving model well-posedness and convergence of LQR gains using analytic semigroup results combined with LQR theory for unbounded input operators. Finally, numerical examples demonstrating the effectiveness of the method are presented.

A normalisation framework for (hyper-)spectral imagery

NASA Astrophysics Data System (ADS)

Grumpe, Arne; Zirin, Vladimir; Wöhler, Christian

2015-06-01

It is well known that the topography has an influence on the observed reflectance spectra. This influence is not compensated by spectral ratios, i.e. the effect is wavelength dependent. In this work, we present a complete normalisation framework. The surface temperature is estimated based on the measured surface reflectance. To normalise the spectral reflectance with respect to a standard illumination geometry, spatially varying reflectance parameters are estimated based on a non-linear reflectance model. The reflectance parameter estimation has one free parameter, i.e. a low-pass function, which sets the scale of the spatial-variance, i.e. the lateral resolution of the reflectance parameter maps. Since the local surface topography has a major influence on the measured reflectance, often neglected shading information is extracted from the spectral imagery and an existing topography model is refined to image resolution. All methods are demonstrated on the Moon Mineralogy Mapper dataset. Additionally, two empirical methods are introduced that deal with observed systematic reflectance changes in co-registered images acquired at different phase angles. These effects, however, may also be caused by the sensor temperature, due to its correlation with the phase angle. Surface temperatures above 300 K are detected and are very similar to a reference method. The proposed method, however, seems more robust in case of absorptions visible in the reflectance spectrum near 2000 nm. By introducing a low-pass into the computation of the reflectance parameters, the reflectance behaviour of the surfaces may be derived at different scales. This allows for an iterative refinement of the local surface topography using shape from shading and the computation reflectance parameters. The inferred parameters are derived from all available co-registered images and do not show significant influence of the local surface topography. The results of the empirical correction show that both proposed methods greatly reduce the influence of different phase angles or sensor temperatures.

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.

High-speed surface transportation corridor : a conceptual framework, final report.

DOT National Transportation Integrated Search

2009-10-08

Efficient transportation is indispensable for economic growth and prosperity. In this study we propose the development of a high-speed surface corridor and compatible vehicles. We present a conceptual framework for this corridor and vehicle. This pro...

Morphological Evolution of Pit-Patterned Si(001) Substrates Driven by Surface-Energy Reduction

NASA Astrophysics Data System (ADS)

Salvalaglio, Marco; Backofen, Rainer; Voigt, Axel; Montalenti, Francesco

2017-09-01

Lateral ordering of heteroepitaxial islands can be conveniently achieved by suitable pit-patterning of the substrate prior to deposition. Controlling shape, orientation, and size of the pits is not trivial as, being metastable, they can significantly evolve during deposition/annealing. In this paper, we exploit a continuum model to explore the typical metastable pit morphologies that can be expected on Si(001), depending on the initial depth/shape. Evolution is predicted using a surface-diffusion model, formulated in a phase-field framework, and tackling surface-energy anisotropy. Results are shown to nicely reproduce typical metastable shapes reported in the literature. Moreover, long time scale evolutions of pit profiles with different depths are found to follow a similar kinetic pathway. The model is also exploited to treat the case of heteroepitaxial growth involving two materials characterized by different facets in their equilibrium Wulff's shape. This can lead to significant changes in morphologies, such as a rotation of the pit during deposition as evidenced in Ge/Si experiments.

Morphological Evolution of Pit-Patterned Si(001) Substrates Driven by Surface-Energy Reduction.

PubMed

Salvalaglio, Marco; Backofen, Rainer; Voigt, Axel; Montalenti, Francesco

2017-09-29

Lateral ordering of heteroepitaxial islands can be conveniently achieved by suitable pit-patterning of the substrate prior to deposition. Controlling shape, orientation, and size of the pits is not trivial as, being metastable, they can significantly evolve during deposition/annealing. In this paper, we exploit a continuum model to explore the typical metastable pit morphologies that can be expected on Si(001), depending on the initial depth/shape. Evolution is predicted using a surface-diffusion model, formulated in a phase-field framework, and tackling surface-energy anisotropy. Results are shown to nicely reproduce typical metastable shapes reported in the literature. Moreover, long time scale evolutions of pit profiles with different depths are found to follow a similar kinetic pathway. The model is also exploited to treat the case of heteroepitaxial growth involving two materials characterized by different facets in their equilibrium Wulff's shape. This can lead to significant changes in morphologies, such as a rotation of the pit during deposition as evidenced in Ge/Si experiments.

A Prototype Land Information Sensor Web: Design, Implementation and Implication for the SMAP Mission

NASA Astrophysics Data System (ADS)

Su, H.; Houser, P.; Tian, Y.; Geiger, J. K.; Kumar, S. V.; Gates, L.

2009-12-01

Land Surface Model (LSM) predictions are regular in time and space, but these predictions are influenced by errors in model structure, input variables, parameters and inadequate treatment of sub-grid scale spatial variability. Consequently, LSM predictions are significantly improved through observation constraints made in a data assimilation framework. Several multi-sensor satellites are currently operating which provide multiple global observations of the land surface, and its related near-atmospheric properties. However, these observations are not optimal for addressing current and future land surface environmental problems. To meet future earth system science challenges, NASA will develop constellations of smart satellites in sensor web configurations which provide timely on-demand data and analysis to users, and can be reconfigured based on the changing needs of science and available technology. A sensor web is more than a collection of satellite sensors. That means a sensor web is a system composed of multiple platforms interconnected by a communication network for the purpose of performing specific observations and processing data required to support specific science goals. Sensor webs can eclipse the value of disparate sensor components by reducing response time and increasing scientific value, especially when the two-way interaction between the model and the sensor web is enabled. The study of a prototype Land Information Sensor Web (LISW) is sponsored by NASA, trying to integrate the Land Information System (LIS) in a sensor web framework which allows for optimal 2-way information flow that enhances land surface modeling using sensor web observations, and in turn allows sensor web reconfiguration to minimize overall system uncertainty. This prototype is based on a simulated interactive sensor web, which is then used to exercise and optimize the sensor web modeling interfaces. The Land Information Sensor Web Service-Oriented Architecture (LISW-SOA) has been developed and it is the very first sensor web framework developed especially for the land surface studies. Synthetic experiments based on the LISW-SOA and the virtual sensor web provide a controlled environment in which to examine the end-to-end performance of the prototype, the impact of various sensor web design trade-offs and the eventual value of sensor webs for a particular prediction or decision support. In this paper, the design, implementation of the LISW-SOA and the implication for the Soil Moisture Active and Passive (SMAP) mission is presented. Particular attention is focused on examining the relationship between the economic investment on a sensor web (space and air borne, ground based) and the accuracy of the model predicted soil moisture, which can be achieved by using such sensor observations. The Study of Virtual Land Information Sensor Web (LISW) is expected to provide some necessary a priori knowledge for designing and deploying the next generation Global Earth Observing System of systems (GEOSS).

Construction of 3-D geologic framework and textural models for Cuyama Valley groundwater basin, California

USGS Publications Warehouse

Sweetkind, Donald S.; Faunt, Claudia C.; Hanson, Randall T.

2013-01-01

Groundwater is the sole source of water supply in Cuyama Valley, a rural agricultural area in Santa Barbara County, California, in the southeasternmost part of the Coast Ranges of California. Continued groundwater withdrawals and associated water-resource management concerns have prompted an evaluation of the hydrogeology and water availability for the Cuyama Valley groundwater basin by the U.S. Geological Survey, in cooperation with the Water Agency Division of the Santa Barbara County Department of Public Works. As a part of the overall groundwater evaluation, this report documents the construction of a digital three-dimensional geologic framework model of the groundwater basin suitable for use within a numerical hydrologic-flow model. The report also includes an analysis of the spatial variability of lithology and grain size, which forms the geologic basis for estimating aquifer hydraulic properties. The geologic framework was constructed as a digital representation of the interpreted geometry and thickness of the principal stratigraphic units within the Cuyama Valley groundwater basin, which include younger alluvium, older alluvium, and the Morales Formation, and underlying consolidated bedrock. The framework model was constructed by creating gridded surfaces representing the altitude of the top of each stratigraphic unit from various input data, including lithologic and electric logs from oil and gas wells and water wells, cross sections, and geologic maps. Sediment grain-size data were analyzed in both two and three dimensions to help define textural variations in the Cuyama Valley groundwater basin and identify areas with similar geologic materials that potentially have fairly uniform hydraulic properties. Sediment grain size was used to construct three-dimensional textural models that employed simple interpolation between drill holes and two-dimensional textural models for each stratigraphic unit that incorporated spatial structure of the textural data.

Surface-Bound Casein Modulates the Adsorption and Activity of Kinesin on SiO2 Surfaces

PubMed Central

Ozeki, Tomomitsu; Verma, Vivek; Uppalapati, Maruti; Suzuki, Yukiko; Nakamura, Mikihiko; Catchmark, Jeffrey M.; Hancock, William O.

2009-01-01

Abstract Conventional kinesin is routinely adsorbed to hydrophilic surfaces such as SiO2. Pretreatment of surfaces with casein has become the standard protocol for achieving optimal kinesin activity, but the mechanism by which casein enhances kinesin surface adsorption and function is poorly understood. We used quartz crystal microbalance measurements and microtubule gliding assays to uncover the role that casein plays in enhancing the activity of surface-adsorbed kinesin. On SiO2 surfaces, casein adsorbs as both a tightly bound monolayer and a reversibly bound second layer that has a dissociation constant of 500 nM and can be desorbed by washing with casein-free buffer. Experiments using truncated kinesins demonstrate that in the presence of soluble casein, kinesin tails bind well to the surface, whereas kinesin head binding is blocked. Removing soluble casein reverses these binding profiles. Surprisingly, reversibly bound casein plays only a moderate role during kinesin adsorption, but it significantly enhances kinesin activity when surface-adsorbed motors are interacting with microtubules. These results point to a model in which a dynamic casein bilayer prevents reversible association of the heads with the surface and enhances association of the kinesin tail with the surface. Understanding protein-surface interactions in this model system should provide a framework for engineering surfaces for functional adsorption of other motor proteins and surface-active enzymes. PMID:19383474

Effective surface and boundary conditions for heterogeneous surfaces with mixed boundary conditions

NASA Astrophysics Data System (ADS)

Guo, Jianwei; Veran-Tissoires, Stéphanie; Quintard, Michel

2016-01-01

To deal with multi-scale problems involving transport from a heterogeneous and rough surface characterized by a mixed boundary condition, an effective surface theory is developed, which replaces the original surface by a homogeneous and smooth surface with specific boundary conditions. A typical example corresponds to a laminar flow over a soluble salt medium which contains insoluble material. To develop the concept of effective surface, a multi-domain decomposition approach is applied. In this framework, velocity and concentration at micro-scale are estimated with an asymptotic expansion of deviation terms with respect to macro-scale velocity and concentration fields. Closure problems for the deviations are obtained and used to define the effective surface position and the related boundary conditions. The evolution of some effective properties and the impact of surface geometry, Péclet, Schmidt and Damköhler numbers are investigated. Finally, comparisons are made between the numerical results obtained with the effective models and those from direct numerical simulations with the original rough surface, for two kinds of configurations.

Metal-organic framework materials with ultrahigh surface areas

DOEpatents

Farha, Omar K.; Hupp, Joseph T.; Wilmer, Christopher E.; Eryazici, Ibrahim; Snurr, Randall Q.; Gomez-Gualdron, Diego A.; Borah, Bhaskarjyoti

2015-12-22

A metal organic framework (MOF) material including a Brunauer-Emmett-Teller (BET) surface area greater than 7,010 m.sup.2/g. Also a metal organic framework (MOF) material including hexa-carboxylated linkers including alkyne bond. Also a metal organic framework (MOF) material including three types of cuboctahedron cages fused to provide continuous channels. Also a method of making a metal organic framework (MOF) material including saponifying hexaester precursors having alkyne bonds to form a plurality of hexa-carboxylated linkers including alkyne bonds and performing a solvothermal reaction with the plurality of hexa-carboxylated linkers and one or more metal containing compounds to form the MOF material.

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.

Implementation of Combined Feather and Surface-Normal Ice Growth Models in LEWICE/X

NASA Technical Reports Server (NTRS)

Velazquez, M. T.; Hansman, R. J., Jr.

1995-01-01

Experimental observations have shown that discrete rime ice growths called feathers, which grow in approximately the direction of water droplet impingement, play an important role in the growth of ice on accreting surfaces for some thermodynamic conditions. An improved physical model of ice accretion has been implemented in the LEWICE 2D panel-based ice accretion code maintained by the NASA Lewis Research Center. The LEWICE/X model of ice accretion explicitly simulates regions of feather growth within the framework of the LEWICE model. Water droplets impinging on an accreting surface are withheld from the normal LEWICE mass/energy balance and handled in a separate routine; ice growth resulting from these droplets is performed with enhanced convective heat transfer approximately along droplet impingement directions. An independent underlying ice shape is grown along surface normals using the unmodified LEWICE method. The resulting dual-surface ice shape models roughness-induced feather growth observed in icing wind tunnel tests. Experiments indicate that the exact direction of feather growth is dependent on external conditions. Data is presented to support a linear variation of growth direction with temperature and cloud water content. Test runs of LEWICE/X indicate that the sizes of surface regions containing feathers are influenced by initial roughness element height. This suggests that a previous argument that feather region size is determined by boundary layer transition may be incorrect. Simulation results for two typical test cases give improved shape agreement over unmodified LEWICE.

Heat-pipe Earth.

PubMed

Moore, William B; Webb, A Alexander G

2013-09-26

The heat transport and lithospheric dynamics of early Earth are currently explained by plate tectonic and vertical tectonic models, but these do not offer a global synthesis consistent with the geologic record. Here we use numerical simulations and comparison with the geologic record to explore a heat-pipe model in which volcanism dominates surface heat transport. These simulations indicate that a cold and thick lithosphere developed as a result of frequent volcanic eruptions that advected surface materials downwards. Declining heat sources over time led to an abrupt transition to plate tectonics. Consistent with model predictions, the geologic record shows rapid volcanic resurfacing, contractional deformation, a low geothermal gradient across the bulk of the lithosphere and a rapid decrease in heat-pipe volcanism after initiation of plate tectonics. The heat-pipe Earth model therefore offers a coherent geodynamic framework in which to explore the evolution of our planet before the onset of plate tectonics.

The Role of Different Plant Soil-Water Feedbacks in Models of Dryland Vegetation Patterns

NASA Astrophysics Data System (ADS)

Silber, M.; Bonetti, S.; Gandhi, P.; Gowda, K.; Iams, S.; Porporato, A. M.

2017-12-01

Understanding the processes underlying the formation of regular vegetation patterns in arid and semi-arid regions is important to assessing desertification risk under increasing anthropogenic pressure. Various modeling frameworks have been proposed, which are all capable of generating similar patterns through self-organizing mechanisms that stem from assumptions about plant feedbacks on surface/subsurface water transport. We critically discuss a hierarchy of hydrology-vegetation models for the coupled dynamics of surface water, soil moisture, and vegetation biomass on a hillslope. We identify distinguishing features and trends for the periodic traveling wave solutions when there is an imposed idealized topography and make some comparisons to satellite images of large-scale banded vegetation patterns in drylands of Africa, Australia and North America. This work highlights the potential for constraining models by considerations of where the patterns may lie on a landscape, such as whether on a ridge or in a valley.

Forecast of drifter trajectories using a Rapid Environmental Assessment based on CTD observations

NASA Astrophysics Data System (ADS)

Sorgente, R.; Tedesco, C.; Pessini, F.; De Dominicis, M.; Gerin, R.; Olita, A.; Fazioli, L.; Di Maio, A.; Ribotti, A.

2016-11-01

A high resolution submesoscale resolving ocean model was implemented in a limited area north of Island of Elba where a maritime exercise, named Serious Game 1 (SG1), took place on May 2014 in the framework of the project MEDESS-4MS (Mediterranean Decision Support System for Marine Safety). During the exercise, CTD data have been collected responding to the necessity of a Rapid Environmental Assessment, i.e. to a rapid evaluation of the marine conditions able to provide sensible information for initialisation of modelling tools, in the scenario of possible maritime accidents. The aim of this paper is to evaluate the impact of such mesoscale-resolving CTD observations on short-term forecasts of the surface currents, within the framework of possible oil-spill related emergencies. For this reason, modelling outputs were compared with Lagrangian observations at sea: the high resolution modelled currents, together with the ones of the coarser sub-regional model WMED, are used to force the MEDSLIK-II oil-spill model to simulate drifter trajectories. Both ocean models have been assessed by comparing the prognostic scalar and vector fields as an independent CTD data set and with real drifter trajectories acquired during SG1. The diagnosed and prognosed circulation reveals that the area was characterised by water masses of Atlantic origin influenced by small mesoscale cyclonic and anti-cyclonic eddies, which govern the spatial and temporal evolution of the drifter trajectories and of the water masses distribution. The assimilation of CTD data into the initial conditions of the high resolution model highly improves the accuracy of the short-term forecast in terms of location and structure of the thermocline and positively influence the ability of the model in reproducing the observed paths of the surface drifters.

Estimation of Multiple Parameters over Vegetated Surfaces by Integrating Optical-Thermal Remote Sensing Observations

NASA Astrophysics Data System (ADS)

Ma, H.

2016-12-01

Land surface parameters from remote sensing observations are critical in monitoring and modeling of global climate change and biogeochemical cycles. Current methods for estimating land surface parameters are generally parameter-specific algorithms and are based on instantaneous physical models, which result in spatial, temporal and physical inconsistencies in current global products. Besides, optical and Thermal Infrared (TIR) remote sensing observations are usually separated to use based on different models , and the Middle InfraRed (MIR) observations have received little attention due to the complexity of the radiometric signal that mixes both reflected and emitted fluxes. In this paper, we proposed a unified algorithm for simultaneously retrieving a total of seven land surface parameters, including Leaf Area Index (LAI), Fraction of Absorbed Photosynthetically Active Radiation (FAPAR), land surface albedo, Land Surface Temperature (LST), surface emissivity, downward and upward longwave radiation, by exploiting remote sensing observations from visible to TIR domain based on a common physical Radiative Transfer (RT) model and a data assimilation framework. The coupled PROSPECT-VISIR and 4SAIL RT model were used for canopy reflectance modeling. At first, LAI was estimated using a data assimilation method that combines MODIS daily reflectance observation and a phenology model. The estimated LAI values were then input into the RT model to simulate surface spectral emissivity and surface albedo. Besides, the background albedo and the transmittance of solar radiation, and the canopy albedo were also calculated to produce FAPAR. Once the spectral emissivity of seven MODIS MIR to TIR bands were retrieved, LST can be estimated from the atmospheric corrected surface radiance by exploiting an optimization method. At last, the upward longwave radiation were estimated using the retrieved LST, broadband emissivity (converted from spectral emissivity) and the downward longwave radiation (modeled by MODTRAN). These seven parameters were validated over several representative sites with different biome type, and compared with MODIS and GLASS product. Results showed that this unified inversion algorithm can retrieve temporally complete and physical consistent land surface parameters with high accuracy.

Integrated modeling of land-use change: the role of coupling, interactions and feedbacks between the human and Earth systems

NASA Astrophysics Data System (ADS)

Monier, E.; Kicklighter, D. W.; Ejaz, Q.; Winchester, N.; Paltsev, S.; Reilly, J. M.

2016-12-01

Land-use change integrates a large number of components of the human and Earth systems, including climate, energy, water, and land. These complex coupling elements, interactions and feedbacks take place on a variety of space and time scales, thus increasing the complexity of land-use change modeling frameworks. In this study, we aim to identify which coupling elements, interactions and feedbacks are important for modeling land-use change, both at the global and regional level. First, we review the existing land-use change modeling framework used to develop land-use change projections for the Representative Concentration Pathways (RCP) scenarios. In such framework, land-use change is simulated by Integrated Assessment Models (IAMs) and mainly influenced by economic, energy, demographic and policy drivers. IAMs focus on representing the demand for agriculture and forestry goods (crops for food and bioenergy, forest products for construction and bioenergy), the interactions with other sectors of the economy and trade between various regions of the world. Then, we investigate how important various coupling elements and feedbacks with the Earth system are for projections of land-use change at the global and regional level. We focus on the following: i) the climate impacts on land productivity and greenhouse gas emissions, which requires climate change information and coupling to a terrestrial ecosystem model/crop model; ii) the climate and economic impacts on irrigation availability, which requires coupling the LUC modeling framework to a water resources management model and disaggregating rainfed and irrigated croplands; iii) the feedback of land-use change on the global and regional climate system through land-use change emissions and changes in the surface albedo and hydrology, which requires coupling to an Earth system model. Finally, we conclude our study by highlighting the current lack of clarity in how various components of the human and Earth systems are coupled in IAMs , and the need for a lexicon that is agreed upon by the IAM community.

Development and Evaluation of an Integrated Hydrological Modeling Framework for Monitoring and Understanding Floods and Droughts

NASA Astrophysics Data System (ADS)

Yang, Z. L.; Wu, W. Y.; Lin, P.; Maidment, D. R.

2017-12-01

Extreme water events such as catastrophic floods and severe droughts have increased in recent decades. Mitigating the risk to lives, food security, infrastructure, energy supplies, as well as numerous other industries posed by these extreme events requires informed decision-making and planning based on sound science. We are developing a global water modeling capability by building models that will provide total operational water predictions (evapotranspiration, soil moisture, groundwater, channel flow, inundation, snow) at unprecedented spatial resolutions and updated frequencies. Toward this goal, this talk presents an integrated global hydrological modeling framework that takes advantage of gridded meteorological forcing, land surface modeling, channeled flow modeling, ground observations, and satellite remote sensing. Launched in August 2016, the National Water Model successfully incorporates weather forecasts to predict river flows for more than 2.7 million rivers across the continental United States, which transfers a "synoptic weather map" to a "synoptic river flow map" operationally. In this study, we apply a similar framework to a high-resolution global river network database, which is developed from a hierarchical Dominant River Tracing (DRT) algorithm, and runoff output from the Global Land Data Assimilation System (GLDAS) to a vector-based river routing model (The Routing Application for Parallel Computation of Discharge, RAPID) to produce river flows from 2001 to 2016 using Message Passing Interface (MPI) on Texas Advanced Computer Center's Stampede system. In this simulation, global river discharges for more than 177,000 rivers are computed every 30 minutes. The modeling framework's performance is evaluated with various observations including river flows at more than 400 gauge stations globally. Overall, the model exhibits a reasonably good performance in simulating the averaged patterns of terrestrial water storage, evapotranspiration and runoff. The system is appropriate for monitoring and studying floods and droughts. Directions for future research will be outlined and discussed.

On the representability problem and the physical meaning of coarse-grained models

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

Wagner, Jacob W.; Dama, James F.; Durumeric, Aleksander E. P.

2016-07-28

In coarse-grained (CG) models where certain fine-grained (FG, i.e., atomistic resolution) observables are not directly represented, one can nonetheless identify indirect the CG observables that capture the FG observable’s dependence on CG coordinates. Often, in these cases it appears that a CG observable can be defined by analogy to an all-atom or FG observable, but the similarity is misleading and significantly undermines the interpretation of both bottom-up and top-down CG models. Such problems emerge especially clearly in the framework of the systematic bottom-up CG modeling, where a direct and transparent correspondence between FG and CG variables establishes precise conditions formore » consistency between CG observables and underlying FG models. Here we present and investigate these representability challenges and illustrate them via the bottom-up conceptual framework for several simple analytically tractable polymer models. The examples provide special focus on the observables of configurational internal energy, entropy, and pressure, which have been at the root of controversy in the CG literature, as well as discuss observables that would seem to be entirely missing in the CG representation but can nonetheless be correlated with CG behavior. Though we investigate these problems in the framework of systematic coarse-graining, the lessons apply to top-down CG modeling also, with crucial implications for simulation at constant pressure and surface tension and for the interpretations of structural and thermodynamic correlations for comparison to experiment.« less

Designing Microstructures/Structures for Desired Functional Material and Local Fields

DTIC Science & Technology

2015-12-02

utilized to engineer multifunctional soft materials for multi-sensing, multi- actuating , human-machine interfaces. [3] Establish a theoretical framework...model for surface elasticity, (ii) derived a new type of Maxwell stress in soft materials due to quantum mechanical-elasticity coupling and...elucidated its ramification in engineering multifunctional soft materials, and (iii) demonstrated the possibility of concurrent magnetoelectricity and

LS3MIP (v1.0) Contribution to CMIP6: The Land Surface, Snow and Soil Moisture Model Intercomparison Project Aims, Setup and Expected Outcome.

NASA Technical Reports Server (NTRS)

Van Den Hurk, Bart; Kim, Hyungjun; Krinner, Gerhard; Seneviratne, Sonia I.; Derksen, Chris; Oki, Taikan; Douville, Herve; Colin, Jeanne; Ducharne, Agnes; Cheruy, Frederique;

LS3MIP (v1.0) contribution to CMIP6: the Land Surface, Snow and Soilmoisture Model Intercomparison Project – aims, setup and expected outcome

DOE PAGES

van den Hurk, Bart; Kim, Hyungjun; Krinner, Gerhard; ...

2016-08-24

The Land Surface, Snow and Soil Moisture Model Intercomparison Project (LS3MIP) is designed to provide a comprehensive assessment of land surface, snow and soil moisture feedbacks on climate variability and climate change, and to diagnose systematic biases in the land modules of current Earth system models (ESMs). Furthermore, the solid and liquid water stored at the land surface has a large influence on the regional climate, its variability and predictability, including effects on the energy, water and carbon cycles. Notably, snow and soil moisture affect surface radiation and flux partitioning properties, moisture storage and land surface memory. They both stronglymore » affect atmospheric conditions, in particular surface air temperature and precipitation, but also large-scale circulation patterns. But, models show divergent responses and representations of these feedbacks as well as systematic biases in the underlying processes. LS3MIP will provide the means to quantify the associated uncertainties and better constrain climate change projections, which is of particular interest for highly vulnerable regions (densely populated areas, agricultural regions, the Arctic, semi-arid and other sensitive terrestrial ecosystems). The experiments are subdivided in two components, the first addressing systematic land biases in offline mode (“LMIP”, building upon the 3rd phase of Global Soil Wetness Project; GSWP3) and the second addressing land feedbacks attributed to soil moisture and snow in an integrated framework (“LFMIP”, building upon the GLACE-CMIP blueprint).« less

LS3MIP (v1.0) contribution to CMIP6: the Land Surface, Snow and Soilmoisture Model Intercomparison Project – aims, setup and expected outcome

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

van den Hurk, Bart; Kim, Hyungjun; Krinner, Gerhard

The Land Surface, Snow and Soil Moisture Model Intercomparison Project (LS3MIP) is designed to provide a comprehensive assessment of land surface, snow and soil moisture feedbacks on climate variability and climate change, and to diagnose systematic biases in the land modules of current Earth system models (ESMs). Furthermore, the solid and liquid water stored at the land surface has a large influence on the regional climate, its variability and predictability, including effects on the energy, water and carbon cycles. Notably, snow and soil moisture affect surface radiation and flux partitioning properties, moisture storage and land surface memory. They both stronglymore » affect atmospheric conditions, in particular surface air temperature and precipitation, but also large-scale circulation patterns. But, models show divergent responses and representations of these feedbacks as well as systematic biases in the underlying processes. LS3MIP will provide the means to quantify the associated uncertainties and better constrain climate change projections, which is of particular interest for highly vulnerable regions (densely populated areas, agricultural regions, the Arctic, semi-arid and other sensitive terrestrial ecosystems). The experiments are subdivided in two components, the first addressing systematic land biases in offline mode (“LMIP”, building upon the 3rd phase of Global Soil Wetness Project; GSWP3) and the second addressing land feedbacks attributed to soil moisture and snow in an integrated framework (“LFMIP”, building upon the GLACE-CMIP blueprint).« less

Sub-saturation matter in compact stars: Nuclear modelling in the framework of the extended Thomas-Fermi theory

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

Aymard, François; Gulminelli, Francesca; Margueron, Jérôme

A recently introduced analytical model for the nuclear density profile [1] is implemented in the Extended Thomas-Fermi (ETF) energy density functional. This allows to (i) shed a new light on the issue of the sign of surface symmetry energy in nuclear mass formulas, as well as to (ii) show the importance of the in-medium corrections to the nuclear cluster energies in thermodynamic conditions relevant for the description of core-collapse supernovae and (proto)-neutron star crust.

Multiphase Modeling of Water Injection on Flame Deflector

NASA Technical Reports Server (NTRS)

Vu, Bruce T.; Bachchan, Nili; Peroomian, Oshin; Akdag, Vedat

2013-01-01

This paper describes the use of an Eulerian Dispersed Phase (EDP) model to simulate the water injected from the flame deflector and its interaction with supersonic rocket exhaust from a proposed Space Launch System (SLS) vehicle. The Eulerian formulation, as part of the multi-phase framework, is described. The simulations show that water cooling is only effective over the region under the liquid engines. Likewise, the water injection provides only minor effects over the surface area under the solid engines.

Sub-saturation matter in compact stars: Nuclear modelling in the framework of the extended Thomas-Fermi theory

NASA Astrophysics Data System (ADS)

Aymard, François; Gulminelli, Francesca; Margueron, Jérôme

2015-02-01

A recently introduced analytical model for the nuclear density profile [1] is implemented in the Extended Thomas-Fermi (ETF) energy density functional. This allows to (i) shed a new light on the issue of the sign of surface symmetry energy in nuclear mass formulas, as well as to (ii) show the importance of the in-medium corrections to the nuclear cluster energies in thermodynamic conditions relevant for the description of core-collapse supernovae and (proto)-neutron star crust.

A screening-level modeling approach to estimate nitrogen ...

EPA Pesticide Factsheets

This paper presents a screening-level modeling approach that can be used to rapidly estimate nutrient loading and assess numerical nutrient standard exceedance risk of surface waters leading to potential classification as impaired for designated use. It can also be used to explore best management practice (BMP) implementation to reduce loading. The modeling framework uses a hybrid statistical and process based approach to estimate source of pollutants, their transport and decay in the terrestrial and aquatic parts of watersheds. The framework is developed in the ArcGIS environment and is based on the total maximum daily load (TMDL) balance model. Nitrogen (N) is currently addressed in the framework, referred to as WQM-TMDL-N. Loading for each catchment includes non-point sources (NPS) and point sources (PS). NPS loading is estimated using export coefficient or event mean concentration methods depending on the temporal scales, i.e., annual or daily. Loading from atmospheric deposition is also included. The probability of a nutrient load to exceed a target load is evaluated using probabilistic risk assessment, by including the uncertainty associated with export coefficients of various land uses. The computed risk data can be visualized as spatial maps which show the load exceedance probability for all stream segments. In an application of this modeling approach to the Tippecanoe River watershed in Indiana, USA, total nitrogen (TN) loading and risk of standard exce

Operationalizing the Space Weather Modeling Framework: Challenges and Resolutions

NASA Astrophysics Data System (ADS)

Welling, D. T.; Gombosi, T. I.; Toth, G.; Singer, H. J.; Millward, G. H.; Balch, C. C.; Cash, M. D.

2016-12-01

Predicting ground-based magnetic perturbations is a critical step towards specifying and predicting geomagnetically induced currents (GICs) in high voltage transmission lines. Currently, the Space Weather Modeling Framework (SWMF), a flexible modeling framework for simulating the multi-scale space environment, is being transitioned from research to operational use (R2O) by NOAA's Space Weather Prediction Center. Upon completion of this transition, the SWMF will provide localized time-varying magnetic field (dB/dt) predictions using real-time solar wind observations from L1 and the F10.7 proxy for EUV as model input. This presentation chronicles the challenges encountered during the R2O transition of the SWMF. Because operations relies on frequent calculations of global surface dB/dt, new optimizations were required to keep the model running faster than real time. Additionally, several singular situations arose during the 30-day robustness test that required immediate attention. Solutions and strategies for overcoming these issues will be presented. This includes new failsafe options for code execution, new physics and coupling parameters, and the development of an automated validation suite that allows us to monitor performance with code evolution. Finally, the operations-to-research (O2R) impact on SWMF-related research is presented. The lessons learned from this work are valuable and instructive for the space weather community as further R2O progress is made.

Surface phenomena revealed by in situ imaging: studies from adhesion, wear and cutting

NASA Astrophysics Data System (ADS)

Viswanathan, Koushik; Mahato, Anirban; Yeung, Ho; Chandrasekar, Srinivasan

2017-03-01

Surface deformation and flow phenomena are ubiquitous in mechanical processes. In this work we present an in situ imaging framework for studying a range of surface mechanical phenomena at high spatial resolution and across a range of time scales. The in situ framework is capable of resolving deformation and flow fields quantitatively in terms of surface displacements, velocities, strains and strain rates. Three case studies are presented demonstrating the power of this framework for studying surface deformation. In the first, the origin of stick-slip motion in adhesive polymer interfaces is investigated, revealing a intimate link between stick-slip and surface wave propagation. Second, the role of flow in mediating formation of surface defects and wear particles in metals is analyzed using a prototypical sliding process. It is shown that conventional post-mortem observation and inference can lead to erroneous conclusions with regard to formation of surface cracks and wear particles. The in situ framework is shown to unambiguously capture delamination wear in sliding. Third, material flow and surface deformation in a typical cutting process is analyzed. It is shown that a long-standing problem in the cutting of annealed metals is resolved by the imaging, with other benefits such as estimation of energy dissipation and power from the flow fields. In closure, guidelines are provided for profitably exploiting in situ observations to study large-strain deformation, flow and friction phenomena at surfaces that display a variety of time-scales.

Does the stepwave model predict mica dissolution kinetics?

NASA Astrophysics Data System (ADS)

Kurganskaya, Inna; Arvidson, Rolf S.; Fischer, Cornelius; Luttge, Andreas

2012-11-01

The micas are a unique class of minerals because of their layered structure. A frequent question arising in mica dissolution studies is whether this layered structure radically changes the dissolution mechanism. We address this question here, using data from VSI and AFM experiments involving muscovite to evaluate crystallographic controls on mica dissolution. These data provide insight into the dissolution process, and reveal important links to patterns of dissolution observed in framework minerals. Under our experimental conditions (pH 9.4, 155 °C), the minimal global rate of normal surface retreat observed in VSI data was 1.42 × 10-10 mol/m2/s (σ = 27%) while the local rate observed at deep etch pits reached 416 × 10-10 mol/m2/s (σ = 49%). Complementary AFM data clearly show crystallographic control of mica dissolution, both in terms of step advance and the geometric influence of interlayer rotation (stacking periodicity). These observations indicate that basal/edge surface area ratios are highly variable and change continuously over the course of reaction, thus obviating their utility as characteristic parameters defining mica reactivity. Instead, these observations of overall dissolution rate and the influence of screw dislocations illustrate the link between atomic step movement and overall dissolution rate defined by surface retreat normal to the mica surface. Considered in light of similar observations available elsewhere in the literature, these relationships provide support for application of the stepwave model to mica dissolution kinetics. This approach provides a basic mechanistic link between the dissolution kinetics of phyllosilicates, framework silicates, and related minerals, and suggests a resolution to the general problem of mica reactivity.

Investigation of microcantilever array with ordered nanoporous coatings for selective chemical detection

NASA Astrophysics Data System (ADS)

Lee, J.-H.; Houk, R. T. J.; Robinson, A.; Greathouse, J. A.; Thornberg, S. M.; Allendorf, M. D.; Hesketh, P. J.

2010-04-01

In this paper we demonstrate the potential for novel nanoporous framework materials (NFM) such as metal-organic frameworks (MOFs) to provide selectivity and sensitivity to a broad range of analytes including explosives, nerve agents, and volatile organic compounds (VOCs). NFM are highly ordered, crystalline materials with considerable synthetic flexibility resulting from the presence of both organic and inorganic components within their structure. Detection of chemical weapons of mass destruction (CWMD), explosives, toxic industrial chemicals (TICs), and volatile organic compounds (VOCs) using micro-electro-mechanical-systems (MEMS) devices, such as microcantilevers and surface acoustic wave sensors, requires the use of recognition layers to impart selectivity. Traditional organic polymers are dense, impeding analyte uptake and slowing sensor response. The nanoporosity and ultrahigh surface areas of NFM enhance transport into and out of the NFM layer, improving response times, and their ordered structure enables structural tuning to impart selectivity. Here we describe experiments and modeling aimed at creating NFM layers tailored to the detection of water vapor, explosives, CWMD, and VOCs, and their integration with the surfaces of MEMS devices. Force field models show that a high degree of chemical selectivity is feasible. For example, using a suite of MOFs it should be possible to select for explosives vs. CWMD, VM vs. GA (nerve agents), and anthracene vs. naphthalene (VOCs). We will also demonstrate the integration of various NFM with the surfaces of MEMS devices and describe new synthetic methods developed to improve the quality of VFM coatings. Finally, MOF-coated MEMS devices show how temperature changes can be tuned to improve response times, selectivity, and sensitivity.

Modeling aerosol surface chemistry and gas-particle interaction kinetics with K2-SURF: PAH oxidation

NASA Astrophysics Data System (ADS)

Shiraiwa, M.; Garland, R.; Pöschl, U.

2009-04-01

Atmospheric aerosols are ubiquitous in the atmosphere. They have the ability to impact cloud properties, radiative balance and provide surfaces for heterogeneous reactions. The uptake of gaseous species on aerosol surfaces impacts both the aerosol particles and the atmospheric budget of trace gases. These subsequent changes to the aerosol can in turn impact the aerosol chemical and physical properties. However, this uptake, as well as the impact on the aerosol, is not fully understood. This uncertainty is due not only to limited measurement data, but also a dearth of comprehensive and applicable modeling formalizations used for the analysis, interpretation and description of these heterogeneous processes. Without a common model framework, comparing and extrapolating experimental data is difficult. In this study, a novel kinetic surface model (K2-SURF) [Ammann & Pöschl, 2007; Pöschl et al., 2007] was used to describe the oxidation of a variety of polycyclic aromatic hydrocarbons (PAHs). Integrated into this consistent and universally applicable kinetic and thermodynamic process model are the concepts, terminologies and mathematical formalizations essential to the description of atmospherically relevant physicochemical processes involving organic and mixed organic-inorganic aerosols. Within this process model framework, a detailed master mechanism, simplified mechanism and parameterizations of atmospheric aerosol chemistry are being developed and integrated in analogy to existing mechanisms and parameterizations of atmospheric gas-phase chemistry. One of the key aspects to this model is the defining of a clear distinction between various layers of the particle and surrounding gas phase. The processes occurring at each layer can be fully described using known fluxes and kinetic parameters. Using this system there is a clear separation of gas phase, gas-surface and surface bulk transport and reactions. The partitioning of compounds can be calculated using the flux values between the layers. By describing these layers unambiguously, the interactions of all species in the system can be appropriately modeled. In describing the oxidation of PAHs, the focus was on the interactions between the sorption layer and quasi-static surface layer. The results from a variety of published experimental studies [Pöschl et al., 2001; Kahan et al., 2006; Kwamena et al., 2004, 2006, 2007; Mmereki and Donaldson, 2003; Mmereki et al., 2004; Dubowski et al., 2004; Donaldson et al., 2005; Segal-Rosenheimer and Dubowski, 2007] were analyzed and compared utilizing K2-SURF. The heterogeneous reaction of PAH and O3 are found to follow a Langmuir-Hinshelwood mechanism, in which ozone first absorbs to the surface and then reacts with PAH. The Langmuir equilibrium constants and second-order-rate coefficients of surface reaction were estimated. In PAH/O3/solid substrate system, they showed similar reaction rate (×10), but large difference (×1000) in adsorption. The mean residence time and adsorption enthalpy were estimated for O3 at the surface of substrates, suggesting the chemisorption of O3 molecules or O atoms, respectively. Initial uptake coefficients of O3 under different conditions were also investigated. The observed dependence on gas-phase O3 concentration was well explained with K2-SURF model in five-order range. In addition, competitive adsorption of other gas phase species (NO2, H2O) was well described by the model. Possible mechanism of PAH degradation system and atmospheric implications are discussed.

Reflectance from images: a model-based approach for human faces.

PubMed

Fuchs, Martin; Blanz, Volker; Lensch, Hendrik; Seidel, Hans-Peter

2005-01-01

In this paper, we present an image-based framework that acquires the reflectance properties of a human face. A range scan of the face is not required. Based on a morphable face model, the system estimates the 3D shape and establishes point-to-point correspondence across images taken from different viewpoints and across different individuals' faces. This provides a common parameterization of all reconstructed surfaces that can be used to compare and transfer BRDF data between different faces. Shape estimation from images compensates deformations of the face during the measurement process, such as facial expressions. In the common parameterization, regions of homogeneous materials on the face surface can be defined a priori. We apply analytical BRDF models to express the reflectance properties of each region and we estimate their parameters in a least-squares fit from the image data. For each of the surface points, the diffuse component of the BRDF is locally refined, which provides high detail. We present results for multiple analytical BRDF models, rendered at novel orientations and lighting conditions.

Life near the Roche limit - Behavior of ejecta from satellites close to planets

NASA Technical Reports Server (NTRS)

Dobrovolskis, A. R.; Burns, J. A.

1980-01-01

A study of the dynamics of nearby debris from impact craters was made to explain the distinctive features seen on Phobos, Deimis, and Amalthea. The planetary tides and satellite rotation were considered, and the usual pseudo-energy (Jacobi) integral was numerically calculated in the framework of a restricted body problem where satellites are modelled as triaxial ellipsoids rather than point masses. Iso-contours of this integral show that Deimos and Amalthea are entirely closed by Roche lobes, and the surfaces of their model ellipsoids lie nearly along equipotentials. Presently, the surface of Phobos overflows its Roche lobe, except for regions within a few km of the sub-Mars and anti-Mars points. The behavior of crater ejecta from the satellites of Mars were also examined by numerical integration of trajectories for particles leaving their surfaces in the equatorial plane.

Growth of Pt/Cu(100): An Atomistic Modeling Comparison with the Pd/Cu(100) Surface Alloy

NASA Technical Reports Server (NTRS)

Demarco, Gustavo; Garces, Jorge E.; Bozzolo, Guillermo

2002-01-01

The Bozzolo, Ferrante, and Smith (BFS) method for alloys is applied to the study of Pt deposition on Cu(100). The formation of a Cu-Pt surface alloy is discussed within the framework of previous results for Pd/Cu(100). In spite of the fact that both Pd and Pt share the same basic behavior when deposited on Cu, it is seen that subtle differences become responsible for the differences in growth observed at higher cover-ages. In agreement with experiment, all the main features of Pt/Cu(100) and Pd/Cu(100) are obtained by means of a simple modeling scheme, and explained in terms of a few basic ingredients that emerge from the BFS analysis.

Crystal plasticity investigation of the microstructural factors influencing dislocation channeling in a model irradiated bcc material

DOE PAGES

Patra, Anirban; McDowell, David L.

2016-03-25

We use a continuum crystal plasticity framework to study the effect of microstructure and mesoscopic factors on dislocation channeling and flow localization in an irradiated model bcc alloy. For simulated dislocation channeling characteristics we correlate the dislocation and defect densities in the substructure, local Schmid factor, and stress triaxiality, in terms of their temporal and spatial evolution. A metric is introduced to assess the propensity for localization and is correlated to the grain-level Schmid factor. We also found that localization generally takes place in grains with a local Schmid factor in the range 0.42 or higher. Surface slip step heightsmore » are computed at free surfaces and compared to relevant experiments.« less

SU-F-J-14: Kilovoltage Cone-Beam CT Dose Estimation of Varian On-Board Imager Using GMctdospp Monte Carlo Framework

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

Kim, S; Rangaraj, D

2016-06-15

Purpose: Although cone-beam CT (CBCT) imaging became popular in radiation oncology, its imaging dose estimation is still challenging. The goal of this study is to assess the kilovoltage CBCT doses using GMctdospp - an EGSnrc based Monte Carlo (MC) framework. Methods: Two Varian OBI x-ray tube models were implemented in the GMctpdospp framework of EGSnrc MC System. The x-ray spectrum of 125 kVp CBCT beam was acquired from an EGSnrc/BEAMnrc simulation and validated with IPEM report 78. Then, the spectrum was utilized as an input spectrum in GMctdospp dose calculations. Both full and half bowtie pre-filters of the OBI systemmore » were created by using egs-prism module. The x-ray tube MC models were verified by comparing calculated dosimetric profiles (lateral and depth) to ion chamber measurements for a static x-ray beam irradiation to a cuboid water phantom. An abdominal CBCT imaging doses was simulated in GMctdospp framework using a 5-year-old anthropomorphic phantom. The organ doses and effective dose (ED) from the framework were assessed and compared to the MOSFET measurements and convolution/superposition dose calculations. Results: The lateral and depth dose profiles in the water cuboid phantom were well matched within 6% except a few areas - left shoulder of the half bowtie lateral profile and surface of water phantom. The organ doses and ED from the MC framework were found to be closer to MOSFET measurements and CS calculations within 2 cGy and 5 mSv respectively. Conclusion: This study implemented and validated the Varian OBI x-ray tube models in the GMctdospp MC framework using a cuboid water phantom and CBCT imaging doses were also evaluated in a 5-year-old anthropomorphic phantom. In future study, various CBCT imaging protocols will be implemented and validated and consequently patient CT images will be used to estimate the CBCT imaging doses in patients.« less

Analytical mass formula and nuclear surface properties in the ETF approximation. Part I: symmetric nuclei

NASA Astrophysics Data System (ADS)

Aymard, François; Gulminelli, Francesca; Margueron, Jérôme

2016-08-01

The problem of determination of nuclear surface energy is addressed within the framework of the extended Thomas Fermi (ETF) approximation using Skyrme functionals. We propose an analytical model for the density profiles with variationally determined diffuseness parameters. In this first paper, we consider the case of symmetric nuclei. In this situation, the ETF functional can be exactly integrated, leading to an analytical formula expressing the surface energy as a function of the couplings of the energy functional. The importance of non-local terms is stressed and it is shown that they cannot be deduced simply from the local part of the functional, as it was suggested in previous works.

3D numerical simulations of oblique droplet impact onto a deep liquid pool

NASA Astrophysics Data System (ADS)

Gelderblom, Hanneke; Reijers, Sten A.; Gielen, Marise; Sleutel, Pascal; Lohse, Detlef; Xie, Zhihua; Pain, Christopher C.; Matar, Omar K.

2017-11-01

We study the fluid dynamics of three-dimensional oblique droplet impact, which results in phenomena that include splashing and cavity formation. An adaptive, unstructured mesh modelling framework is employed here, which can modify and adapt unstructured meshes to better represent the underlying physics of droplet dynamics, and reduce computational effort without sacrificing accuracy. The numerical framework consists of a mixed control-volume and finite-element formulation, a volume-of-fluid-type method for the interface-capturing based on a compressive control-volume advection method. The framework also features second-order finite-element methods, and a force-balanced algorithm for the surface tension implementation, minimising the spurious velocities often found in many simulations involving capillary-driven flows. The numerical results generated using this framework are compared with high-speed images of the interfacial shapes of the deformed droplet, and the cavity formed upon impact, yielding good agreement. EPSRC, UK, MEMPHIS program Grant (EP/K003976/1), RAEng Research Chair (OKM).

Role of framework mutations and antibody flexibility in the evolution of broadly neutralizing antibodies

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

Ovchinnikov, Victor; Louveau, Joy E.; Barton, John P.

Eliciting antibodies that are cross reactive with surface proteins of diverse strains of highly mutable pathogens (e.g., HIV, influenza) could be key for developing effective universal vaccines. Mutations in the framework regions of such broadly neutralizing antibodies (bnAbs) have been reported to play a role in determining their properties. We used molecular dynamics simulations and models of affinity maturation to study specific bnAbs against HIV. Our results suggest that there are different classes of evolutionary lineages for the bnAbs. If germline B cells that initiate affinity maturation have high affinity for the conserved residues of the targeted epitope, framework mutationsmore » increase antibody rigidity as affinity maturation progresses to evolve bnAbs. If the germline B cells exhibit weak/moderate affinity for conserved residues, an initial increase in flexibility via framework mutations may be required for the evolution of bnAbs. Subsequent mutations that increase rigidity result in highly potent bnAbs. Implications of our results for immunogen design are discussed.« less

Role of framework mutations and antibody flexibility in the evolution of broadly neutralizing antibodies

DOE PAGES

Ovchinnikov, Victor; Louveau, Joy E.; Barton, John P.; ...

2018-02-14

Eliciting antibodies that are cross reactive with surface proteins of diverse strains of highly mutable pathogens (e.g., HIV, influenza) could be key for developing effective universal vaccines. Mutations in the framework regions of such broadly neutralizing antibodies (bnAbs) have been reported to play a role in determining their properties. We used molecular dynamics simulations and models of affinity maturation to study specific bnAbs against HIV. Our results suggest that there are different classes of evolutionary lineages for the bnAbs. If germline B cells that initiate affinity maturation have high affinity for the conserved residues of the targeted epitope, framework mutationsmore » increase antibody rigidity as affinity maturation progresses to evolve bnAbs. If the germline B cells exhibit weak/moderate affinity for conserved residues, an initial increase in flexibility via framework mutations may be required for the evolution of bnAbs. Subsequent mutations that increase rigidity result in highly potent bnAbs. Implications of our results for immunogen design are discussed.« less

Role of framework mutations and antibody flexibility in the evolution of broadly neutralizing antibodies

PubMed Central

2018-01-01

Eliciting antibodies that are cross reactive with surface proteins of diverse strains of highly mutable pathogens (e.g., HIV, influenza) could be key for developing effective universal vaccines. Mutations in the framework regions of such broadly neutralizing antibodies (bnAbs) have been reported to play a role in determining their properties. We used molecular dynamics simulations and models of affinity maturation to study specific bnAbs against HIV. Our results suggest that there are different classes of evolutionary lineages for the bnAbs. If germline B cells that initiate affinity maturation have high affinity for the conserved residues of the targeted epitope, framework mutations increase antibody rigidity as affinity maturation progresses to evolve bnAbs. If the germline B cells exhibit weak/moderate affinity for conserved residues, an initial increase in flexibility via framework mutations may be required for the evolution of bnAbs. Subsequent mutations that increase rigidity result in highly potent bnAbs. Implications of our results for immunogen design are discussed. PMID:29442996

Direct surface magnetometry with photoemission magnetic x-ray dichroism

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

Tobin, J.G.; Goodman, K.W.; Schumann, F.O.

1997-04-01

Element specific surface magnetometry remains a central goal of synchrotron radiation based studies of nanomagnetic structures. One appealing possibility is the combination of x-ray absorption dichroism measurements and the theoretical framework provided by the {open_quotes}sum rules.{close_quotes} Unfortunately, sum rule analysis are hampered by several limitations including delocalization of the final state, multi-electronic phenomena and the presence of surface dipoles. An alternative experiment, Magnetic X-Ray Dichroism in Photoelectron Spectroscopy, holds out promise based upon its elemental specificity, surface sensitivity and high resolution. Computational simulations by Tamura et al. demonstrated the relationship between exchange and spin orbit splittings and experimental data ofmore » linear and circular dichroisms. Now the authors have developed an analytical framework which allows for the direct extraction of core level exchange splittings from circular and linear dichroic photoemission data. By extending a model initially proposed by Venus, it is possible to show a linear relation between normalized dichroism peaks in the experimental data and the underlying exchange splitting. Since it is reasonable to expect that exchange splittings and magnetic moments track together, this measurement thus becomes a powerful new tool for direct surface magnetometry, without recourse to time consuming and difficult spectral simulations. The theoretical derivation will be supported by high resolution linear and circular dichroism data collected at the Spectromicroscopy Facility of the Advanced Light Source.« less

Simulating hydrologic and hydraulic processes throughout the Amazon River Basin

USGS Publications Warehouse

Beighley, R.E.; Eggert, K.G.; Dunne, T.; He, Y.; Gummadi, V.; Verdin, K.L.

2009-01-01

Presented here is a model framework based on a land surface topography that can be represented with various degrees of resolution and capable of providing representative channel/floodplain hydraulic characteristics on a daily to hourly scale. The framework integrates two models: (1) a water balance model (WBM) for the vertical fluxes and stores of water in and through the canopy and soil layers based on the conservation of mass and energy, and (2) a routing model for the horizontal routing of surface and subsurface runoff and channel and floodplain waters based on kinematic and diffusion wave methodologies. The WBM is driven by satellite-derived precipitation (TRMM_3B42) and air temperature (MOD08_M3). The model's use of an irregular computational grid is intended to facilitate parallel processing for applications to continental and global scales. Results are presented for the Amazon Basin over the period Jan 2001 through Dec 2005. The model is shown to capture annual runoff totals, annual peaks, seasonal patterns, and daily fluctuations over a range of spatial scales (>1, 000 to < 4·7M km2). For the period of study, results suggest basin-wide total water storage changes in the Amazon vary by approximately + /− 5 to 10 cm, and the fractional components accounting for these changes are: root zone soil moisture (20%), subsurface water being routed laterally to channels (40%) and channel/floodplain discharge (40%). Annual variability in monthly water storage changes by + /− 2·5 cm is likely due to 0·5 to 1 month variability in the arrival of significant rainfall periods throughout the basin.

Towards a New Framework for Interpreting Relations Between Mantle Dynamics and Processes at the Earth's Surface: A Case Study Involving the Deccan Traps

NASA Astrophysics Data System (ADS)

Glisovic, P.; Forte, A. M.

2017-12-01

An outstanding challenge in modern geodynamics is the utilization of mantle convection models and geophysical data to successfully explain geological events and processes that alter Earth's biosphere, climate, and surface. A key challenge in this modelling is the determination of the initial (and unknown) configuration of mantle heterogeneity in the geological past. The first step in addressing this challenge is recognizing that seismic tomography is our most powerful tool for mapping the present-day, internal structure of the mantle. We, therefore, implemented a new back-and-forth iterative method for time-reversed, tomography-based convection modelling to reconstruct Earth's internal 3-D structure and dynamics over the Cenozoic [Glisovic & Forte 2016 (JGR)]. This backward convection modelling also includes another key input - the depth variation of mantle viscosity inferred from joint inversions of the global convection-related observables and a suite of glacial isostatic adjustments (GIA) data [Mitrovica & Forte 2004 (EPSL), Forte et al. 2010 (EPSL)]. This state-of-the-art, time-reversed convection model is able to show that massive outpourings of basalt in west-central India, known as the Deccan Traps, about 65 million years ago can be directly linked to the presence of two different deep-mantle hotspots: Réunion and Comores [Glisovic & Forte 2017 (Science)]. This work constitutes case study showing how time-reversed convection modelling provides a new framework for interpreting the relations between mantle dynamics and changing paleogeography and it provides a roadmap for a new series of studies that will elucidate these linkages.

A Physically Based Framework for Modelling the Organic Fractionation of Sea Spray Aerosol from Bubble Film Langmuir Equilibria

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

Burrows, Susannah M.; Ogunro, O.; Frossard, Amanda

2014-12-19

The presence of a large fraction of organic matter in primary sea spray aerosol (SSA) can strongly affect its cloud condensation nuclei activity and interactions with marine clouds. Global climate models require new parameterizations of the SSA composition in order to improve the representation of these processes. Existing proposals for such a parameterization use remotely-sensed chlorophyll-a concentrations as a proxy for the biogenic contribution to the aerosol. However, both observations and theoretical considerations suggest that existing relationships with chlorophyll-a, derived from observations at only a few locations, may not be representative for all ocean regions. We introduce a novel frameworkmore » for parameterizing the fractionation of marine organic matter into SSA based on a competitive Langmuir adsorption equilibrium at bubble surfaces. Marine organic matter is partitioned into classes with differing molecular weights, surface excesses, and Langmuir adsorption parameters. The classes include a lipid-like mixture associated with labile dissolved organic carbon (DOC), a polysaccharide-like mixture associated primarily with semi-labile DOC, a protein-like mixture with concentrations intermediate between lipids and polysaccharides, a processed mixture associated with recalcitrant surface DOC, and a deep abyssal humic-like mixture. Box model calculations have been performed for several cases of organic adsorption to illustrate the underlying concepts. We then apply the framework to output from a global marine biogeochemistry model, by partitioning total dissolved organic carbon into several classes of macromolecule. Each class is represented by model compounds with physical and chemical properties based on existing laboratory data. This allows us to globally map the predicted organic mass fraction of the nascent submicron sea spray aerosol. Predicted relationships between chlorophyll-\\textit{a} and organic fraction are similar to existing empirical parameterizations, but can vary between biologically productive and non-productive regions, and seasonally within a given region. Major uncertainties include the bubble film thickness at bursting and the variability of organic surfactant activity in the ocean, which is poorly constrained. In addition, marine colloids and cooperative adsorption of polysaccharides may make important contributions to the aerosol, but are not included here. This organic fractionation framework is an initial step towards a closer linking of ocean biogeochemistry and aerosol chemical composition in Earth system models. Future work should focus on improving constraints on model parameters through new laboratory experiments or through empirical fitting to observed relationships in the real ocean and atmosphere, as well as on atmospheric implications of the variable composition of organic matter in sea spray.« less

Comprehensive nonlocal analysis of piezoelectric nanobeams with surface effects in bending, buckling and vibrations under magneto-electro-thermo-mechanical loading

NASA Astrophysics Data System (ADS)

Ebrahimi-Nejad, Salman; Boreiry, Mahya

2018-03-01

The bending, buckling and vibrational behavior of size-dependent piezoelectric nanobeams under thermo-magneto-mechano-electrical environment are investigated by performing a parametric study, in the presence of surface effects. The Gurtin-Murdoch surface elasticity and Eringen’s nonlocal elasticity theories are applied in the framework of Euler–Bernoulli beam theory to obtain a new non-classical size-dependent beam model for dynamic and static analyses of piezoelectric nanobeams. In order to satisfy the surface equilibrium equations, cubic variation of stress with beam thickness is assumed for the bulk stress component which is neglected in classical beam models. Results are obtained for clamped - simply-supported (C-S) and simply-supported - simply-supported (S-S) boundary conditions using a proposed analytical solution method. Numerical examples are presented to demonstrate the effects of length, surface effects, nonlocal parameter and environmental changes (temperature, magnetic field and external voltage) on deflection, critical buckling load and natural frequency for each boundary condition. Results of this study can serve as benchmarks for the design and analysis of nanostructures of magneto-electro-thermo-elastic materials.

Quasi-optical theory of relativistic surface-wave oscillators with one-dimensional and two-dimensional periodic planar structures

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

Ginzburg, N. S.; Zaslavsky, V. Yu.; Institute of Applied Physics of Russian Academy of Sciences, 46 Ulyanov St., Nizhny Novgorod 603950

2013-11-15

Within the framework of a quasi-optical approach, we develop 2D and 3D self-consistent theory of relativistic surface-wave oscillators. Presenting the radiation field as a sum of two counter-propagating wavebeams coupled on a shallow corrugated surface, we describe formation of an evanescent slow wave. Dispersion characteristics of the evanescent wave following from this method are in good compliance with those found from the direct cst simulations. Considering excitation of the slow wave by a sheet electron beam, we simulate linear and nonlinear stages of interaction, which allows us to determine oscillation threshold conditions, electron efficiency, and output coupling. The transition frommore » the model of surface-wave oscillator operating in the π-mode regime to the canonical model of relativistic backward wave oscillator is considered. We also described a modified scheme of planar relativistic surface-wave oscillators exploiting two-dimensional periodic gratings. Additional transverse propagating waves emerging on these gratings synchronize the emission from a wide sheet rectilinear electron beam allowing realization of a Cherenkov millimeter-wave oscillators with subgigawatt output power level.« less

A New Framework for Effective and Efficient Global Sensitivity Analysis of Earth and Environmental Systems Models

NASA Astrophysics Data System (ADS)

Razavi, Saman; Gupta, Hoshin

2015-04-01

Earth and Environmental Systems (EES) models are essential components of research, development, and decision-making in science and engineering disciplines. With continuous advances in understanding and computing power, such models are becoming more complex with increasingly more factors to be specified (model parameters, forcings, boundary conditions, etc.). To facilitate better understanding of the role and importance of different factors in producing the model responses, the procedure known as 'Sensitivity Analysis' (SA) can be very helpful. Despite the availability of a large body of literature on the development and application of various SA approaches, two issues continue to pose major challenges: (1) Ambiguous Definition of Sensitivity - Different SA methods are based in different philosophies and theoretical definitions of sensitivity, and can result in different, even conflicting, assessments of the underlying sensitivities for a given problem, (2) Computational Cost - The cost of carrying out SA can be large, even excessive, for high-dimensional problems and/or computationally intensive models. In this presentation, we propose a new approach to sensitivity analysis that addresses the dual aspects of 'effectiveness' and 'efficiency'. By effective, we mean achieving an assessment that is both meaningful and clearly reflective of the objective of the analysis (the first challenge above), while by efficiency we mean achieving statistically robust results with minimal computational cost (the second challenge above). Based on this approach, we develop a 'global' sensitivity analysis framework that efficiently generates a newly-defined set of sensitivity indices that characterize a range of important properties of metric 'response surfaces' encountered when performing SA on EES models. Further, we show how this framework embraces, and is consistent with, a spectrum of different concepts regarding 'sensitivity', and that commonly-used SA approaches (e.g., Sobol, Morris, etc.) are actually limiting cases of our approach under specific conditions. Multiple case studies are used to demonstrate the value of the new framework. The results show that the new framework provides a fundamental understanding of the underlying sensitivities for any given problem, while requiring orders of magnitude fewer model runs.

Hydroclimatic Controls over Global Variations in Phenology and Carbon Flux

NASA Technical Reports Server (NTRS)

Koster, Randal; Walker, G.; Thornton, Patti; Collatz, G. J.

2012-01-01

The connection between phenological and hydroclimatological variations are quantified through joint analyses of global NDVI, LAI, and precipitation datasets. The global distributions of both NDVI and LAI in the warm season are strongly controlled by three quantities: mean annual precipitation, the standard deviation of annual precipitation, and Budyko's index of dryness. Upon demonstrating that these same basic (if biased) relationships are produced by a dynamic vegetation model (the dynamic vegetation and carbon storage components of the NCAR Community Land Model version 4 combined with the water and energy balance framework of the Catchment Land Surface Model of the NASA Global Modeling and Assimilation Office), we use the model to perform a sensitivity study focusing on how phenology and carbon flux might respond to climatic change. The offline (decoupled from the atmosphere) simulations show us, for example, where on the globe a given small increment in precipitation mean or variability would have the greatest impact on carbon uptake. The analysis framework allows us in addition to quantify the degree to which climatic biases in a free-running GCM are manifested as biases in simulated phenology.

Hydroclimatic Controls over Global Variations in Phenology and Carbon Flux

NASA Astrophysics Data System (ADS)

Koster, R. D.; Walker, G.; Thornton, P. E.; Collatz, G. J.

2012-12-01

The connection between phenological and hydroclimatological variations are quantified through joint analyses of global NDVI, LAI, and precipitation datasets. The global distributions of both NDVI and LAI in the warm season are strongly controlled by three quantities: mean annual precipitation, the standard deviation of annual precipitation, and Budyko's index of dryness. Upon demonstrating that these same basic (if somewhat biased) relationships are produced by a dynamic vegetation model (the dynamic vegetation and carbon storage components of the NCAR Community Land Model version 4 combined with the water and energy balance framework of the Catchment Land Surface Model of the NASA Global Modeling and Assimilation Office), we use the model to perform a sensitivity study focusing on how phenology and carbon flux might respond to climatic change. The offline (decoupled from the atmosphere) simulations show us, for example, where on the globe a given small increment in precipitation mean or variability would have the greatest impact on carbon uptake. The analysis framework allows us in addition to quantify the degree to which climatic biases in a free-running GCM are manifested as biases in simulated phenology.

EMPIRE and pyenda: Two ensemble-based data assimilation systems written in Fortran and Python

NASA Astrophysics Data System (ADS)

Geppert, Gernot; Browne, Phil; van Leeuwen, Peter Jan; Merker, Claire

2017-04-01

We present and compare the features of two ensemble-based data assimilation frameworks, EMPIRE and pyenda. Both frameworks allow to couple models to the assimilation codes using the Message Passing Interface (MPI), leading to extremely efficient and fast coupling between models and the data-assimilation codes. The Fortran-based system EMPIRE (Employing Message Passing Interface for Researching Ensembles) is optimized for parallel, high-performance computing. It currently includes a suite of data assimilation algorithms including variants of the ensemble Kalman and several the particle filters. EMPIRE is targeted at models of all kinds of complexity and has been coupled to several geoscience models, eg. the Lorenz-63 model, a barotropic vorticity model, the general circulation model HadCM3, the ocean model NEMO, and the land-surface model JULES. The Python-based system pyenda (Python Ensemble Data Assimilation) allows Fortran- and Python-based models to be used for data assimilation. Models can be coupled either using MPI or by using a Python interface. Using Python allows quick prototyping and pyenda is aimed at small to medium scale models. pyenda currently includes variants of the ensemble Kalman filter and has been coupled to the Lorenz-63 model, an advection-based precipitation nowcasting scheme, and the dynamic global vegetation model JSBACH.

Interpretation of Ground Temperature Anomalies in Hydrothermal Discharge Areas

NASA Astrophysics Data System (ADS)

Price, Adam N.; Lindsey, Cary R.; Fairley, Jerry P.

2017-12-01

Researchers have long noted the potential for shallow hydrothermal fluids to perturb near-surface temperatures. Several investigators have made qualitative or semiquantitative use of elevated surface temperatures; for example, in snowfall calorimetry, or for tracing subsurface flow paths. However, a quantitative framework connecting surface temperature observations with conditions in the subsurface is currently lacking. Here, we model an area of shallow subsurface flow at Burgdorf Hot Springs, a rustic commercial resort in the Payette National Forest, north of McCall, ID, USA. We calibrate the model using shallow (0.2 m depth) ground temperature measurements and overburden thickness estimates from seismic refraction studies. The calibrated model predicts negligible loss of heat energy from the laterally migrating fluids at the Burgdorf site, in spite of the fact that thermal anomalies are observed in the unconsolidated near-surface alluvium. Although elevated near-surface ground temperatures are commonly assumed to result from locally high heat flux, this conflicts with the small apparent heat loss during lateral flow inferred at the Burgdorf site. We hypothesize an alternative explanation for near-surface temperature anomalies that is only weakly dependent on heat flux, and more strongly controlled by the Biot number, a dimensionless parameter that compares the rate at which convection carries heat away from the land surface to the rate at which it is supplied by conduction to the interface.

Assessing the CAM5 Physics Suite in the WRF-Chem Model: Implementation, Resolution Sensitivity, and a First Evaluation for a Regional Case Study

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

Ma, Po-Lun; Rasch, Philip J.; Fast, Jerome D.

A suite of physical parameterizations (deep and shallow convection, turbulent boundary layer, aerosols, cloud microphysics, and cloud fraction) from the global climate model Community Atmosphere Model version 5.1 (CAM5) has been implemented in the regional model Weather Research and Forecasting with chemistry (WRF-Chem). A downscaling modeling framework with consistent physics has also been established in which both global and regional simulations use the same emissions and surface fluxes. The WRF-Chem model with the CAM5 physics suite is run at multiple horizontal resolutions over a domain encompassing the northern Pacific Ocean, northeast Asia, and northwest North America for April 2008 whenmore » the ARCTAS, ARCPAC, and ISDAC field campaigns took place. These simulations are evaluated against field campaign measurements, satellite retrievals, and ground-based observations, and are compared with simulations that use a set of common WRF-Chem Parameterizations. This manuscript describes the implementation of the CAM5 physics suite in WRF-Chem provides an overview of the modeling framework and an initial evaluation of the simulated meteorology, clouds, and aerosols, and quantifies the resolution dependence of the cloud and aerosol parameterizations. We demonstrate that some of the CAM5 biases, such as high estimates of cloud susceptibility to aerosols and the underestimation of aerosol concentrations in the Arctic, can be reduced simply by increasing horizontal resolution. We also show that the CAM5 physics suite performs similarly to a set of parameterizations commonly used in WRF-Chem, but produces higher ice and liquid water condensate amounts and near-surface black carbon concentration. Further evaluations that use other mesoscale model parameterizations and perform other case studies are needed to infer whether one parameterization consistently produces results more consistent with observations.« less

A prototype data assimilation framework for generating spatiotemporally continuous SWOT data products

NASA Astrophysics Data System (ADS)

Andreadis, K.; Margulis, S. A.; Li, D.; Lettenmaier, D. P.

2017-12-01

The Surface Water and Ocean Topography (SWOT) satellite will provide critical surface water observations for the hydrologic community. However, production of key SWOT variables, such as river discharge and surface inundation, as well as lake, reservoir, and wetland storage change will be complicated by the discontinuity of the observations in space and time. A methodology that generates products with spatially and temporally continuous fields based on SWOT observables would be highly desirable. Data assimilation provides a mechanism for merging observations from SWOT with model predictions in order to produce estimates of quantities such as river discharge, storage change, and water heights for locations and times when there is no satellite overpass or other constraints (such as layover) render the measurement unusable. We describe here a prototype assimilation system with application to the Upper Mississippi basin, implemented using synthetic SWOT observations. We use a hydrologic model (VIC) coupled with a hydrodynamic model (LISFLOOD-FP) which generates "true" fields of surface water variables. The true fields are then used to generate synthetic SWOT observations using the SWOT Instrument Simulator. We also perform a "first-guess" (or open-loop) simulation with the coupled model using a configuration that contains errors representative of the imperfect knowledge of parameters and input data, including channel topography, bankfull widths and depths, and inflows, to create an ensemble of 20 model trajectories. Subsequently we assimilate the synthetic SWOT observations into the open-loop model results to estimate water surface elevation, discharge, and storage change. Our preliminary results using three data assimilation strategies show that all improve the water surface elevation estimate accuracy by 25% - 35% for a river reach of the upper Mississippi River. Ongoing work is examining whether the improved water surface elevation estimates propagate to improvements in river discharge.

Sensitivity of biogenic volatile organic compounds to land surface parameterizations and vegetation distributions in California

NASA Astrophysics Data System (ADS)

Zhao, Chun; Huang, Maoyi; Fast, Jerome D.; Berg, Larry K.; Qian, Yun; Guenther, Alex; Gu, Dasa; Shrivastava, Manish; Liu, Ying; Walters, Stacy; Pfister, Gabriele; Jin, Jiming; Shilling, John E.; Warneke, Carsten

2016-05-01

Current climate models still have large uncertainties in estimating biogenic trace gases, which can significantly affect atmospheric chemistry and secondary aerosol formation that ultimately influences air quality and aerosol radiative forcing. These uncertainties result from many factors, including uncertainties in land surface processes and specification of vegetation types, both of which can affect the simulated near-surface fluxes of biogenic volatile organic compounds (BVOCs). In this study, the latest version of Model of Emissions of Gases and Aerosols from Nature (MEGAN v2.1) is coupled within the land surface scheme CLM4 (Community Land Model version 4.0) in the Weather Research and Forecasting model with chemistry (WRF-Chem). In this implementation, MEGAN v2.1 shares a consistent vegetation map with CLM4 for estimating BVOC emissions. This is unlike MEGAN v2.0 in the public version of WRF-Chem that uses a stand-alone vegetation map that differs from what is used by land surface schemes. This improved modeling framework is used to investigate the impact of two land surface schemes, CLM4 and Noah, on BVOCs and examine the sensitivity of BVOCs to vegetation distributions in California. The measurements collected during the Carbonaceous Aerosol and Radiative Effects Study (CARES) and the California Nexus of Air Quality and Climate Experiment (CalNex) conducted in June of 2010 provided an opportunity to evaluate the simulated BVOCs. Sensitivity experiments show that land surface schemes do influence the simulated BVOCs, but the impact is much smaller than that of vegetation distributions. This study indicates that more effort is needed to obtain the most appropriate and accurate land cover data sets for climate and air quality models in terms of simulating BVOCs, oxidant chemistry and, consequently, secondary organic aerosol formation.

Targeted Proteomics and Absolute Protein Quantification for the Construction of a Stoichiometric Host-Pathogen Surface Density Model.

PubMed

Sjöholm, Kristoffer; Kilsgård, Ola; Teleman, Johan; Happonen, Lotta; Malmström, Lars; Malmström, Johan

2017-04-01

Sepsis is a systemic immune response responsible for considerable morbidity and mortality. Molecular modeling of host-pathogen interactions in the disease state represents a promising strategy to define molecular events of importance for the transition from superficial to invasive infectious diseases. Here we used the Gram-positive bacterium Streptococcus pyogenes as a model system to establish a mass spectrometry based workflow for the construction of a stoichiometric surface density model between the S. pyogenes surface, the surface virulence factor M-protein, and adhered human blood plasma proteins. The workflow relies on stable isotope labeled reference peptides and selected reaction monitoring mass spectrometry analysis of a wild-type strain and an M-protein deficient mutant strain, to generate absolutely quantified protein stoichiometry ratios between S. pyogenes and interacting plasma proteins. The stoichiometry ratios in combination with a novel targeted mass spectrometry method to measure cell numbers enabled the construction of a stoichiometric surface density model using protein structures available from the protein data bank. The model outlines the topology and density of the host-pathogen protein interaction network on the S. pyogenes bacterial surface, revealing a dense and highly organized protein interaction network. Removal of the M-protein from S. pyogenes introduces a drastic change in the network topology, validated by electron microscopy. We propose that the stoichiometric surface density model of S. pyogenes in human blood plasma represents a scalable framework that can continuously be refined with the emergence of new results. Future integration of new results will improve the understanding of protein-protein interactions and their importance for bacterial virulence. Furthermore, we anticipate that the general properties of the developed workflow will facilitate the production of stoichiometric surface density models for other types of host-pathogen interactions. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

The Dynamics of Hadley Circulation Variability and Change

NASA Astrophysics Data System (ADS)

Davis, Nicholas Alexander

The Hadley circulation exerts a dominant control on the surface climate of earth's tropical belt. Its converging surface winds fuel the tropical rains, while subsidence in the subtropics dries and stabilizes the atmosphere, creating deserts on land and stratocumulus decks over the oceans. Because of the strong meridional gradients in temperature and precipitation in the subtropics, any shift in the Hadley circulation edge could project as major changes in surface climate. While climate model simulations predict an expansion of the Hadley cells in response to greenhouse gas forcings, the mechanisms remain elusive. An analysis of the climatology, variability, and response of the Hadley circulation to radiative forcings in climate models and reanalyses illuminates the broader landscape in which Hadley cell expansion is realized. The expansion is a fundamental response of the atmosphere to increasing greenhouse gas concentrations as it scales with other key climate system changes, including polar amplification, increasing static stability, stratospheric cooling, and increasing global-mean surface temperatures. Multiple measures of the Hadley circulation edge latitudes co-vary with the latitudes of the eddy-driven jets on all timescales, and both exhibit a robust poleward shift in response to forcings. Further, across models there is a robust coupling between the eddy-driving on the Hadley cells and their width. On the other hand, the subtropical jet and tropopause break latitudes, two common observational proxies for the tropical belt edges, lack a strong statistical relationship with the Hadley cell edges and have no coherent response to forcings. This undermines theories for the Hadley cell width predicated on angular momentum conservation and calls for a new framework for understanding Hadley cell expansion. A numerical framework is developed within an idealized general circulation model to isolate the mean flow and eddy responses of the global atmosphere to radiative forcings. It is found that it is primarily the eddy response to greenhouse-gas-like forcings that causes Hadley cell expansion. However, the mean flow changes in the Hadley circulation itself crucially mediate this eddy response such that the full response comes about due to eddy-mean flow interactions. A theoretical scaling for the Hadley cell width based on moist static energy is developed to provide an improved framework to understand climate change responses of the general circulation. The scaling predicts that expansion is driven by increases in the surface latent heat flux and the width of the rising branch of the circulation and opposed by increases in tropospheric radiative cooling. A reduction in subtropical moist static energy flux divergence by the eddies is key, as it tilts the energetic balance in favor of expansion.

Site descriptive modeling as a part of site characterization in Sweden - Concluding the surface based investigations

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

Andersson, Johan; Winberg, Anders; Skagius, Kristina

The Swedish Nuclear Fuel and Waste Management Co., SKB, is currently finalizing its surface based site investigations for the final repository for spent nuclear fuel in the municipalities of Oestharmnar (the Forsmark area) and Oskarshamn (the Simpevar/Laxemar area). The investigation data are assessed into a Site Descriptive Model, constituting a synthesis of geology, rock mechanics, thermal properties, hydrogeology, hydro-geochemistry, transport properties and a surface system description. Site data constitute a wide range of different measurement results. These data both need to be checked for consistency and to be interpreted into a format more amenable for three-dimensional modeling. The three-dimensional modelingmore » (i.e. estimating the distribution of parameter values in space) is made in a sequence where the geometrical framework is taken from the geological models and in turn used by the rock mechanics, thermal and hydrogeological modeling. These disciplines in turn are partly interrelated, and also provide feedback to the geological modeling, especially if the geological description appears unreasonable when assessed together with the other data. Procedures for assessing the uncertainties and the confidence in the modeling have been developed during the course of the site modeling. These assessments also provide key input to the completion of the site investigation program. (authors)« less

Sensitivity of future U.S. water shortages to socioeconomic and climate drivers: A case study in Georgia using an integrated human-earth system modeling framework

DOE PAGES

Scott, Michael J.; Daly, Don S.; Hejazi, Mohamad I.; ...

2016-02-06

Here, one of the most important interactions between humans and climate is in the demand and supply of water. Humans withdraw, use, and consume water and return waste water to the environment for a variety of socioeconomic purposes, including domestic, commercial, and industrial use, production of energy resources and cooling thermal-electric power plants, and growing food, fiber, and chemical feed stocks for human consumption. Uncertainties in the future human demand for water interact with future impacts of climatic change on water supplies to impinge on water management decisions at the international, national, regional, and local level, but until recently toolsmore » were not available to assess the uncertainties surrounding these decisions. This paper demonstrates the use of a multi-model framework in a structured sensitivity analysis to project and quantify the sensitivity of future deficits in surface water in the context of climate and socioeconomic change for all U.S. states and sub-basins. The framework treats all sources of water demand and supply consistently from the world to local level. The paper illustrates the capabilities of the framework with sample results for a river sub-basin in the U.S. state of Georgia.« less

Land-surface parameter optimisation using data assimilation techniques: the adJULES system V1.0

NASA Astrophysics Data System (ADS)

Raoult, Nina M.; Jupp, Tim E.; Cox, Peter M.; Luke, Catherine M.

2016-08-01

Land-surface models (LSMs) are crucial components of the Earth system models (ESMs) that are used to make coupled climate-carbon cycle projections for the 21st century. The Joint UK Land Environment Simulator (JULES) is the land-surface model used in the climate and weather forecast models of the UK Met Office. JULES is also extensively used offline as a land-surface impacts tool, forced with climatologies into the future. In this study, JULES is automatically differentiated with respect to JULES parameters using commercial software from FastOpt, resulting in an analytical gradient, or adjoint, of the model. Using this adjoint, the adJULES parameter estimation system has been developed to search for locally optimum parameters by calibrating against observations. This paper describes adJULES in a data assimilation framework and demonstrates its ability to improve the model-data fit using eddy-covariance measurements of gross primary production (GPP) and latent heat (LE) fluxes. adJULES also has the ability to calibrate over multiple sites simultaneously. This feature is used to define new optimised parameter values for the five plant functional types (PFTs) in JULES. The optimised PFT-specific parameters improve the performance of JULES at over 85 % of the sites used in the study, at both the calibration and evaluation stages. The new improved parameters for JULES are presented along with the associated uncertainties for each parameter.

Stress distribution of single-implant-retained overdenture reinforced with a framework: A finite element analysis study.

PubMed

Amaral, Camilla F; Gomes, Rafael S; Rodrigues Garcia, Renata C M; Del Bel Cury, Altair A

2018-05-01

Studies have demonstrated the effectiveness of a single-implant-retained mandibular overdenture for elderly patients with edentulism. However, due to the high concentration of stress around the housing portion of the single implant, this prosthesis tends to fracture at the anterior region more than the 2-implant-retained mandibular overdenture. The purpose of this finite-element analysis study was to evaluate the stress distribution in a single-implant-retained mandibular overdenture reinforced with a cobalt-chromium framework, to minimize the incidence of denture base fracture. Two 3-dimensional finite element models of mandibular overdentures supported by a single implant with a stud attachment were designed in SolidWorks 2013 software. The only difference between the models was the presence or absence of a cobalt-chromium framework at the denture base between canines. Subsequently, the models were imported into the mathematical analysis software ANSYS Workbench v15.0. A mesh was generated with an element size of 0.7 mm and submitted to convergence analysis before mechanical simulation. All materials were considered to be homogeneous, isotropic, and linearly elastic. A 100-N load was applied to the incisal edge of the central mandibular incisors at a 30-degree angle. Maximum principal stress was calculated for the overdenture, von Mises stress was calculated for the attachment and implant, and minimum principal stress was calculated for cortical and cancellous bone. In both models, peak stress on the overdenture was localized at the anterior intaglio surface region around the implant. However, the presence of the framework reduced the stress by almost 62% compared with the overdenture without a framework (8.7 MPa and 22.8 MPa, respectively). Both models exhibited similar stress values in the attachment, implant, and bone. A metal framework reinforcement for a single-implant-retained mandibular overdenture concentrates less stress through the anterior area of the prosthesis and could minimize the incidence of fracture. Copyright © 2017 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Snow Process Estimation Over the Extratropical Andes Using a Data Assimilation Framework Integrating MERRA Data and Landsat Imagery

NASA Technical Reports Server (NTRS)

Cortes, Gonzalo; Girotto, Manuela; Margulis, Steven

2016-01-01

A data assimilation framework was implemented with the objective of obtaining high resolution retrospective snow water equivalent (SWE) estimates over several Andean study basins. The framework integrates Landsat fractional snow covered area (fSCA) images, a land surface and snow depletion model, and the Modern Era Retrospective Analysis for Research and Applications (MERRA) reanalysis as a forcing data set. The outputs are SWE and fSCA fields (1985-2015) at a resolution of 90 m that are consistent with the observed depletion record. Verification using in-situ snow surveys showed significant improvements in the accuracy of the SWE estimates relative to forward model estimates, with increases in correlation (0.49-0.87) and reductions in root mean square error (0.316 m to 0.129 m) and mean error (-0.221 m to 0.009 m). A sensitivity analysis showed that the framework is robust to variations in physiography, fSCA data availability and a priori precipitation biases. Results from the application to the headwater basin of the Aconcagua River showed how the forward model versus the fSCA-conditioned estimate resulted in different quantifications of the relationship between runoff and SWE, and different correlation patterns between pixel-wise SWE and ENSO. The illustrative results confirm the influence that ENSO has on snow accumulation for Andean basins draining into the Pacific, with ENSO explaining approximately 25% of the variability in near-peak (1 September) SWE values. Our results show how the assimilation of fSCA data results in a significant improvement upon MERRA-forced modeled SWE estimates, further increasing the utility of the MERRA data for high-resolution snow modeling applications.

Spatially distributed modelling of pesticide leaching at European scale with the PyCatch modelling framework

NASA Astrophysics Data System (ADS)

Schmitz, Oliver; van der Perk, Marcel; Karssenberg, Derek; Häring, Tim; Jene, Bernhard

2017-04-01

The modelling of pesticide transport through the soil and estimating its leaching to groundwater is essential for an appropriate environmental risk assessment. Pesticide leaching models commonly used in regulatory processes often lack the capability of providing a comprehensive spatial view, as they are implemented as non-spatial point models or only use a few combinations of representative soils to simulate specific plots. Furthermore, their handling of spatial input and output data and interaction with available Geographical Information Systems tools is limited. Therefore, executing several scenarios simulating and assessing the potential leaching on national or continental scale at high resolution is rather inefficient and prohibits the straightforward identification of areas prone to leaching. We present a new pesticide leaching model component of the PyCatch framework developed in PCRaster Python, an environmental modelling framework tailored to the development of spatio-temporal models (http://www.pcraster.eu). To ensure a feasible computational runtime of large scale models, we implemented an elementary field capacity approach to model soil water. Currently implemented processes are evapotranspiration, advection, dispersion, sorption, degradation and metabolite transformation. Not yet implemented relevant additional processes such as surface runoff, snowmelt, erosion or other lateral flows can be integrated with components already implemented in PyCatch. A preliminary version of the model executes a 20-year simulation of soil water processes for Germany (20 soil layers, 1 km2 spatial resolution, and daily timestep) within half a day using a single CPU. A comparison of the soil moisture and outflow obtained from the PCRaster implementation and PELMO, a commonly used pesticide leaching model, resulted in an R2 of 0.98 for the FOCUS Hamburg scenario. We will further discuss the validation of the pesticide transport processes and show case studies applied to European countries.

Incorporating agricultural management into an earth system model for the Pacific Northwest region: Interactions between climate, hydrology, agriculture, and economics

NASA Astrophysics Data System (ADS)

Chinnayakanahalli, K.; Adam, J. C.; Stockle, C.; Nelson, R.; Brady, M.; Rajagopalan, K.; Barber, M. E.; Dinesh, S.; Malek, K.; Yorgey, G.; Kruger, C.; Marsh, T.; Yoder, J.

2011-12-01

For better management and decision making in the face of climate change, earth system models must explicitly account for natural resource and agricultural management activities. Including crop system, water management, and economic models into an earth system modeling framework can help in answering questions related to the impacts of climate change on irrigation water and crop productivity, how agricultural producers can adapt to anticipated climate change, and how agricultural practices can mitigate climate change. Herein we describe the coupling of the Variability Infiltration Capacity (VIC) land surface model, which solves the water and energy balances of the hydrologic cycle at regional scales, with a crop-growth model, CropSyst. This new model, VIC-CropSyst, is the land surface model that will be used in a new regional-scale model development project focused on the Pacific Northwest, termed BioEarth. Here we describe the VIC-CropSyst coupling process and its application over the Columbia River basin (CRB) using agricultural-specific land cover information. The Washington State Department of Agriculture (WSDA) and U. S. Department of Agriculture (USDA) cropland data layers were used to identify agricultural land use patterns, in which both irrigated and dry land crops were simulated. The VIC-CropSyst model was applied over the CRB for the historical period of 1976 - 2006 to establish a baseline for surface water availability, irrigation demand, and crop production. The model was then applied under future (2030s) climate change scenarios derived from statistically-downscaled Global Circulation Models output under two emission scenarios (A1B and B1). Differences between simulated future and historical irrigation demand, irrigation water availability, and crop production were used in an economics model to identify the most economically-viable future cropping pattern. The economics model was run under varying scenarios of regional growth, trade, water pricing, and water capacity providing a spectrum of possible future cropping patterns. The resulting cropping patterns were then used in VIC-CropSyst to quantify the impacts of climate change, economic, and water management scenarios on crop production, and water resources availability. This modeling framework provides opportunities to study the interactions between human activities and complex natural processes and is a valuable tool for inclusion in an earth system model with the goal of informing land use and water management.

A tree-parenchyma coupled model for lung ventilation simulation.

PubMed

Pozin, Nicolas; Montesantos, Spyridon; Katz, Ira; Pichelin, Marine; Vignon-Clementel, Irene; Grandmont, Céline

2017-11-01

In this article, we develop a lung ventilation model. The parenchyma is described as an elastic homogenized media. It is irrigated by a space-filling dyadic resistive pipe network, which represents the tracheobronchial tree. In this model, the tree and the parenchyma are strongly coupled. The tree induces an extra viscous term in the system constitutive relation, which leads, in the finite element framework, to a full matrix. We consider an efficient algorithm that takes advantage of the tree structure to enable a fast matrix-vector product computation. This framework can be used to model both free and mechanically induced respiration, in health and disease. Patient-specific lung geometries acquired from computed tomography scans are considered. Realistic Dirichlet boundary conditions can be deduced from surface registration on computed tomography images. The model is compared to a more classical exit compartment approach. Results illustrate the coupling between the tree and the parenchyma, at global and regional levels, and how conditions for the purely 0D model can be inferred. Different types of boundary conditions are tested, including a nonlinear Robin model of the surrounding lung structures. Copyright © 2017 John Wiley & Sons, Ltd.

An Eulerian two-phase flow model for sediment transport under realistic surface waves

NASA Astrophysics Data System (ADS)

Hsu, T. J.; Kim, Y.; Cheng, Z.; Chauchat, J.

2017-12-01

Wave-driven sediment transport is of major importance in driving beach morphology. However, the complex mechanisms associated with unsteadiness, free-surface effects, and wave-breaking turbulence have not been fully understood. Particularly, most existing models for sediment transport adopt bottom boundary layer approximation that mimics the flow condition in oscillating water tunnel (U-tube). However, it is well-known that there are key differences in sediment transport when comparing to large wave flume datasets, although the number of wave flume experiments are relatively limited regardless of its importance. Thus, a numerical model which can resolve the entire water column from the bottom boundary layer to the free surface can be a powerful tool. This study reports an on-going effort to better understand and quantify sediment transport under shoaling and breaking surface waves through the creation of open-source numerical models in the OpenFOAM framework. An Eulerian two-phase flow model, SedFoam (Cheng et al., 2017, Coastal Eng.) is fully coupled with a volume-of-fluid solver, interFoam/waves2Foam (Jacobsen et al., 2011, Int. J. Num. Fluid). The fully coupled model, named SedWaveFoam, regards the air and water phases as two immiscible fluids with the interfaces evolution resolved, and the sediment particles as dispersed phase. We carried out model-data comparisons with the large wave flume sheet flow data for nonbreaking waves reported by Dohmen-Janssen and Hanes (2002, J. Geophysical Res.) and good agreements were obtained for sediment concentration and net transport rate. By further simulating a case without free-surface (mimic U-tube condition), the effects of free-surface, most notably the boundary layer streaming effect on total transport, can be quantified.

Geobiology: A Conceptual Framework for Understanding Earth's Surface

NASA Astrophysics Data System (ADS)

Sumner, D. Y.

2016-12-01

A topic of study becomes a new field when it provides a useful conceptual framework for understanding suites of important processes. Geobiology integrates microbial biology with Earth sciences in a way that allows us to ask - and answer - deeper questions about Earth and the life on it. Recent studies of the oxidation of Earth's surface exemplify the impact of Geobiology as a new field. For decades, scientists have understood that Earth's surface was oxidized by photosynthesis. Geochemical records indicate dramatic redox changes both globally, e.g. the loss of MIF sulfur signatures due to formation of an ozone layer, and locally, as preserved in sedimentary rocks. However, these records depend critically on the dynamics of both the global biosphere and local microbial ecology. For example, an increase in global redox due to photosynthetic iron oxidation has different biogeochemical implications than an increase from oxygenic photosynthesis; O2 reacts very differently with organic matter and minerals than iron oxyhydroxides do, influencing microbial ecology as well as potential geochemical signatures in sedimentary rocks. Thus, studies of modern microbial communities provide insights into the interactions among metabolisms and geochemical gradients that have shaped Earth's redox history. For example, the ability of cyanobacteria to create O2 oases in benthic mats and soils on land provides a new framework for evaluating redox-sensitive elemental fluxes to the ocean. Similarly, genomic studies of Cyanobacteria have revealed close relatives, Melainabacteria, that are mostly obligate anaerobes. The evolutionary relationships between these two groups, as preserved in their genomes, reflect important microbial processes that led to oxidation of Earth's surface. By combining insights from microbial biology and sedimentary geochemistry, geobiologists will develop significantly more accurate models of the interactions between life and Earth.

A framework for modeling contaminant impacts on reservoir water quality

NASA Astrophysics Data System (ADS)

Jeznach, Lillian C.; Jones, Christina; Matthews, Thomas; Tobiason, John E.; Ahlfeld, David P.

2016-06-01

This study presents a framework for using hydrodynamic and water quality models to understand the fate and transport of potential contaminants in a reservoir and to develop appropriate emergency response and remedial actions. In the event of an emergency situation, prior detailed modeling efforts and scenario evaluations allow for an understanding of contaminant plume behavior, including maximum concentrations that could occur at the drinking water intake and contaminant travel time to the intake. A case study assessment of the Wachusett Reservoir, a major drinking water supply for metropolitan Boston, MA, provides an example of an application of the framework and how hydrodynamic and water quality models can be used to quantitatively and scientifically guide management in response to varieties of contaminant scenarios. The model CE-QUAL-W2 was used to investigate the water quality impacts of several hypothetical contaminant scenarios, including hypothetical fecal coliform input from a sewage overflow as well as an accidental railway spill of ammonium nitrate. Scenarios investigated the impacts of decay rates, season, and inter-reservoir transfers on contaminant arrival times and concentrations at the drinking water intake. The modeling study highlights the importance of a rapid operational response by managers to contain a contaminant spill in order to minimize the mass of contaminant that enters the water column, based on modeled reservoir hydrodynamics. The development and use of hydrodynamic and water quality models for surface drinking water sources subject to the potential for contaminant entry can provide valuable guidance for making decisions about emergency response and remediation actions.

Use of Linear Prediction Uncertainty Analysis to Guide Conditioning of Models Simulating Surface-Water/Groundwater Interactions

NASA Astrophysics Data System (ADS)

Hughes, J. D.; White, J.; Doherty, J.

2011-12-01

Linear prediction uncertainty analysis in a Bayesian framework was applied to guide the conditioning of an integrated surface water/groundwater model that will be used to predict the effects of groundwater withdrawals on surface-water and groundwater flows. Linear prediction uncertainty analysis is an effective approach for identifying (1) raw and processed data most effective for model conditioning prior to inversion, (2) specific observations and periods of time critically sensitive to specific predictions, and (3) additional observation data that would reduce model uncertainty relative to specific predictions. We present results for a two-dimensional groundwater model of a 2,186 km2 area of the Biscayne aquifer in south Florida implicitly coupled to a surface-water routing model of the actively managed canal system. The model domain includes 5 municipal well fields withdrawing more than 1 Mm3/day and 17 operable surface-water control structures that control freshwater releases from the Everglades and freshwater discharges to Biscayne Bay. More than 10 years of daily observation data from 35 groundwater wells and 24 surface water gages are available to condition model parameters. A dense parameterization was used to fully characterize the contribution of the inversion null space to predictive uncertainty and included bias-correction parameters. This approach allows better resolution of the boundary between the inversion null space and solution space. Bias-correction parameters (e.g., rainfall, potential evapotranspiration, and structure flow multipliers) absorb information that is present in structural noise that may otherwise contaminate the estimation of more physically-based model parameters. This allows greater precision in predictions that are entirely solution-space dependent, and reduces the propensity for bias in predictions that are not. Results show that application of this analysis is an effective means of identifying those surface-water and groundwater data, both raw and processed, that minimize predictive uncertainty, while simultaneously identifying the maximum solution-space dimensionality of the inverse problem supported by the data.

Canopy-scale biophysical controls of transpiration and evaporation in the Amazon Basin

NASA Astrophysics Data System (ADS)

Mallick, Kaniska; Trebs, Ivonne; Boegh, Eva; Giustarini, Laura; Schlerf, Martin; Drewry, Darren T.; Hoffmann, Lucien; von Randow, Celso; Kruijt, Bart; Araùjo, Alessandro; Saleska, Scott; Ehleringer, James R.; Domingues, Tomas F.; Ometto, Jean Pierre H. B.; Nobre, Antonio D.; Leal de Moraes, Osvaldo Luiz; Hayek, Matthew; Munger, J. William; Wofsy, Steven C.

2016-10-01

Canopy and aerodynamic conductances (gC and gA) are two of the key land surface biophysical variables that control the land surface response of land surface schemes in climate models. Their representation is crucial for predicting transpiration (λET) and evaporation (λEE) flux components of the terrestrial latent heat flux (λE), which has important implications for global climate change and water resource management. By physical integration of radiometric surface temperature (TR) into an integrated framework of the Penman-Monteith and Shuttleworth-Wallace models, we present a novel approach to directly quantify the canopy-scale biophysical controls on λET and λEE over multiple plant functional types (PFTs) in the Amazon Basin. Combining data from six LBA (Large-scale Biosphere-Atmosphere Experiment in Amazonia) eddy covariance tower sites and a TR-driven physically based modeling approach, we identified the canopy-scale feedback-response mechanism between gC, λET, and atmospheric vapor pressure deficit (DA), without using any leaf-scale empirical parameterizations for the modeling. The TR-based model shows minor biophysical control on λET during the wet (rainy) seasons where λET becomes predominantly radiation driven and net radiation (RN) determines 75 to 80 % of the variances of λET. However, biophysical control on λET is dramatically increased during the dry seasons, and particularly the 2005 drought year, explaining 50 to 65 % of the variances of λET, and indicates λET to be substantially soil moisture driven during the rainfall deficit phase. Despite substantial differences in gA between forests and pastures, very similar canopy-atmosphere "coupling" was found in these two biomes due to soil moisture-induced decrease in gC in the pasture. This revealed the pragmatic aspect of the TR-driven model behavior that exhibits a high sensitivity of gC to per unit change in wetness as opposed to gA that is marginally sensitive to surface wetness variability. Our results reveal the occurrence of a significant hysteresis between λET and gC during the dry season for the pasture sites, which is attributed to relatively low soil water availability as compared to the rainforests, likely due to differences in rooting depth between the two systems. Evaporation was significantly influenced by gA for all the PFTs and across all wetness conditions. Our analytical framework logically captures the responses of gC and gA to changes in atmospheric radiation, DA, and surface radiometric temperature, and thus appears to be promising for the improvement of existing land-surface-atmosphere exchange parameterizations across a range of spatial scales.

Progress in the Development of a Global Quasi-3-D Multiscale Modeling Framework

NASA Astrophysics Data System (ADS)

Jung, J.; Konor, C. S.; Randall, D. A.

2017-12-01

The Quasi-3-D Multiscale Modeling Framework (Q3D MMF) is a second-generation MMF, which has following advances over the first-generation MMF: 1) The cloud-resolving models (CRMs) that replace conventional parameterizations are not confined to the large-scale dynamical-core grid cells, and are seamlessly connected to each other, 2) The CRMs sense the three-dimensional large- and cloud-scale environment, 3) Two perpendicular sets of CRM channels are used, and 4) The CRMs can resolve the steep surface topography along the channel direction. The basic design of the Q3D MMF has been developed and successfully tested in a limited-area modeling framework. Currently, global versions of the Q3D MMF are being developed for both weather and climate applications. The dynamical cores governing the large-scale circulation in the global Q3D MMF are selected from two cube-based global atmospheric models. The CRM used in the model is the 3-D nonhydrostatic anelastic Vector-Vorticity Model (VVM), which has been tested with the limited-area version for its suitability for this framework. As a first step of the development, the VVM has been reconstructed on the cubed-sphere grid so that it can be applied to global channel domains and also easily fitted to the large-scale dynamical cores. We have successfully tested the new VVM by advecting a bell-shaped passive tracer and simulating the evolutions of waves resulted from idealized barotropic and baroclinic instabilities. For improvement of the model, we also modified the tracer advection scheme to yield positive-definite results and plan to implement a new physics package that includes a double-moment microphysics and an aerosol physics. The interface for coupling the large-scale dynamical core and the VVM is under development. In this presentation, we shall describe the recent progress in the development and show some test results.

Bridging Empirical and Physical Approaches for Landslide Monitoring and Early Warning

NASA Technical Reports Server (NTRS)

Kirschbaum, Dalia; Peters-Lidard, Christa; Adler, Robert; Kumar, Sujay; Harrison, Ken

2011-01-01

Rainfall-triggered landslides typically occur and are evaluated at local scales, using slope-stability models to calculate coincident changes in driving and resisting forces at the hillslope level in order to anticipate slope failures. Over larger areas, detailed high resolution landslide modeling is often infeasible due to difficulties in quantifying the complex interaction between rainfall infiltration and surface materials as well as the dearth of available in situ soil and rainfall estimates and accurate landslide validation data. This presentation will discuss how satellite precipitation and surface information can be applied within a landslide hazard assessment framework to improve landslide monitoring and early warning by considering two disparate approaches to landslide hazard assessment: an empirical landslide forecasting algorithm and a physical slope-stability model. The goal of this research is to advance near real-time landslide hazard assessment and early warning at larger spatial scales. This is done by employing high resolution surface and precipitation information within a probabilistic framework to provide more physically-based grounding to empirical landslide triggering thresholds. The empirical landslide forecasting tool, running in near real-time at http://trmm.nasa.gov, considers potential landslide activity at the global scale and relies on Tropical Rainfall Measuring Mission (TRMM) precipitation data and surface products to provide a near real-time picture of where landslides may be triggered. The physical approach considers how rainfall infiltration on a hillslope affects the in situ hydro-mechanical processes that may lead to slope failure. Evaluation of these empirical and physical approaches are performed within the Land Information System (LIS), a high performance land surface model processing and data assimilation system developed within the Hydrological Sciences Branch at NASA's Goddard Space Flight Center. LIS provides the capabilities to quantify uncertainty from model inputs and calculate probabilistic estimates for slope failures. Results indicate that remote sensing data can provide many of the spatiotemporal requirements for accurate landslide monitoring and early warning; however, higher resolution precipitation inputs will help to better identify small-scale precipitation forcings that contribute to significant landslide triggering. Future missions, such as the Global Precipitation Measurement (GPM) mission will provide more frequent and extensive estimates of precipitation at the global scale, which will serve as key inputs to significantly advance the accuracy of landslide hazard assessment, particularly over larger spatial scales.

Air-sea interactions during strong winter extratropical storms

USGS Publications Warehouse

Nelson, Jill; He, Ruoying; Warner, John C.; Bane, John

2014-01-01

A high-resolution, regional coupled atmosphere–ocean model is used to investigate strong air–sea interactions during a rapidly developing extratropical cyclone (ETC) off the east coast of the USA. In this two-way coupled system, surface momentum and heat fluxes derived from the Weather Research and Forecasting model and sea surface temperature (SST) from the Regional Ocean Modeling System are exchanged via the Model Coupling Toolkit. Comparisons are made between the modeled and observed wind velocity, sea level pressure, 10 m air temperature, and sea surface temperature time series, as well as a comparison between the model and one glider transect. Vertical profiles of modeled air temperature and winds in the marine atmospheric boundary layer and temperature variations in the upper ocean during a 3-day storm period are examined at various cross-shelf transects along the eastern seaboard. It is found that the air–sea interactions near the Gulf Stream are important for generating and sustaining the ETC. In particular, locally enhanced winds over a warm sea (relative to the land temperature) induce large surface heat fluxes which cool the upper ocean by up to 2 °C, mainly during the cold air outbreak period after the storm passage. Detailed heat budget analyses show the ocean-to-atmosphere heat flux dominates the upper ocean heat content variations. Results clearly show that dynamic air–sea interactions affecting momentum and buoyancy flux exchanges in ETCs need to be resolved accurately in a coupled atmosphere–ocean modeling framework.

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.

NEWS RELEASE - Agencies Agree to Joint Regulatory Framework for Processing Applications for Surface Coal Mining Operations

EPA Pesticide Factsheets

News release from February 10, 2005 announcing a memorandum of understanding (MOU) that offers a joint framework to improve permit application procedures for surface coal mining operations that place dredged or fill material in waters of the United States.

Reduced-Order Aerothermoelastic Analysis of Hypersonic Vehicle Structures

NASA Astrophysics Data System (ADS)

Falkiewicz, Nathan J.

Design and simulation of hypersonic vehicles require consideration of a variety of disciplines due to the highly coupled nature of the flight regime. In order to capture all of the potential effects on vehicle dynamics, one must consider the aerodynamics, aerodynamic heating, heat transfer, and structural dynamics as well as the interactions between these disciplines. The problem is further complicated by the large computational expense involved in capturing all of these effects and their interactions in a full-order sense. While high-fidelity modeling techniques exist for each of these disciplines, the use of such techniques is computationally infeasible in a vehicle design and control system simulation setting for such a highly coupled problem. Early in the design stage, many iterations of analyses may need to be carried out as the vehicle design matures, thus requiring quick analysis turnaround time. Additionally, the number of states used in the analyses must be small enough to allow for efficient control simulation and design. As a result, alternatives to full-order models must be considered. This dissertation presents a fully coupled, reduced-order aerothermoelastic framework for the modeling and analysis of hypersonic vehicle structures. The reduced-order transient thermal solution is a modal solution based on the proper orthogonal decomposition. The reduced-order structural dynamic model is based on projection of the equations of motion onto a Ritz modal subspace that is identified a priori. The reduced-order models are assembled into a time-domain aerothermoelastic simulation framework which uses a partitioned time-marching scheme to account for the disparate time scales of the associated physics. The aerothermoelastic modeling framework is outlined and the formulations associated with the unsteady aerodynamics, aerodynamic heating, transient thermal, and structural dynamics are outlined. Results demonstrate the accuracy of the reduced-order transient thermal and structural dynamic models under variation in boundary conditions and flight conditions. The framework is applied to representative hypersonic vehicle control surface structures and a variety of studies are conducted to assess the impact of aerothermoelastic effects on hypersonic vehicle dynamics. The results presented in this dissertation demonstrate the ability of the proposed framework to perform efficient aerothermoelastic analysis.

Modelling and calculation of flotation process in one-dimensional formulation

NASA Astrophysics Data System (ADS)

Amanbaev, Tulegen; Tilleuov, Gamidulla; Tulegenova, Bibigul

2016-08-01

In the framework of the assumptions of the mechanics of the multiphase media is constructed a mathematical model of the flotation process in the dispersed mixture of liquid, solid and gas phases, taking into account the degree of mineralization of the surface of the bubbles. Application of the constructed model is demonstrated on the example of one-dimensional stationary flotation and it is shown that the equations describing the process of ascent of the bubbles are singularly perturbed ("rigid"). The effect of size and concentration of bubbles and the volumetric content of dispersed particles on the flotation process are analyzed.

exocartographer: Constraining surface maps orbital parameters of exoplanets

NASA Astrophysics Data System (ADS)

Farr, Ben; Farr, Will M.; Cowan, Nicolas B.; Haggard, Hal M.; Robinson, Tyler

2018-05-01

exocartographer solves the exo-cartography inverse problem. This flexible forward-modeling framework, written in Python, retrieves the albedo map and spin geometry of a planet based on time-resolved photometry; it uses a Markov chain Monte Carlo method to extract albedo maps and planet spin and their uncertainties. Gaussian Processes use the data to fit for the characteristic length scale of the map and enforce smooth maps.