Deriving flow directions for coarse-resolution (1-4 km) gridded hydrologic modeling

NASA Astrophysics Data System (ADS)

Reed, Seann M.

2003-09-01

The National Weather Service Hydrology Laboratory (NWS-HL) is currently testing a grid-based distributed hydrologic model at a resolution (4 km) commensurate with operational, radar-based precipitation products. To implement distributed routing algorithms in this framework, a flow direction must be assigned to each model cell. A new algorithm, referred to as cell outlet tracing with an area threshold (COTAT) has been developed to automatically, accurately, and efficiently assign flow directions to any coarse-resolution grid cells using information from any higher-resolution digital elevation model. Although similar to previously published algorithms, this approach offers some advantages. Use of an area threshold allows more control over the tendency for producing diagonal flow directions. Analyses of results at different output resolutions ranging from 300 m to 4000 m indicate that it is possible to choose an area threshold that will produce minimal differences in average network flow lengths across this range of scales. Flow direction grids at a 4 km resolution have been produced for the conterminous United States.

A model of regional primary production for use with coarse resolution satellite data

NASA Technical Reports Server (NTRS)

Prince, S. D.

1991-01-01

A model of crop primary production, which was originally developed to relate the amount of absorbed photosynthetically active radiation (APAR) to net production in field studies, is discussed in the context of coarse resolution regional remote sensing of primary production. The model depends on an approximately linear relationship between APAR and the normalized difference vegetation index. A more comprehensive form of the conventional model is shown to be necessary when different physiological types of plants or heterogeneous vegetation types occur within the study area. The predicted variable in the new model is total assimilation (net production plus respiration) rather than net production alone or harvest yield.

Implementation of a generalized actuator line model for wind turbine parameterization in the Weather Research and Forecasting model

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

Marjanovic, Nikola; Mirocha, Jeffrey D.; Kosović, Branko

A generalized actuator line (GAL) wind turbine parameterization is implemented within the Weather Research and Forecasting model to enable high-fidelity large-eddy simulations of wind turbine interactions with boundary layer flows under realistic atmospheric forcing conditions. Numerical simulations using the GAL parameterization are evaluated against both an already implemented generalized actuator disk (GAD) wind turbine parameterization and two field campaigns that measured the inflow and near-wake regions of a single turbine. The representation of wake wind speed, variance, and vorticity distributions is examined by comparing fine-resolution GAL and GAD simulations and GAD simulations at both fine and coarse-resolutions. The higher-resolution simulationsmore » show slightly larger and more persistent velocity deficits in the wake and substantially increased variance and vorticity when compared to the coarse-resolution GAD. The GAL generates distinct tip and root vortices that maintain coherence as helical tubes for approximately one rotor diameter downstream. Coarse-resolution simulations using the GAD produce similar aggregated wake characteristics to both fine-scale GAD and GAL simulations at a fraction of the computational cost. The GAL parameterization provides the capability to resolve near wake physics, including vorticity shedding and wake expansion.« less

A Modeling Approach to Global Land Surface Monitoring with Low Resolution Satellite Imaging

NASA Technical Reports Server (NTRS)

Hlavka, Christine A.; Dungan, Jennifer; Livingston, Gerry P.; Gore, Warren J. (Technical Monitor)

1998-01-01

The effects of changing land use/land cover on global climate and ecosystems due to greenhouse gas emissions and changing energy and nutrient exchange rates are being addressed by federal programs such as NASA's Mission to Planet Earth (MTPE) and by international efforts such as the International Geosphere-Biosphere Program (IGBP). The quantification of these effects depends on accurate estimates of the global extent of critical land cover types such as fire scars in tropical savannas and ponds in Arctic tundra. To address the requirement for accurate areal estimates, methods for producing regional to global maps with satellite imagery are being developed. The only practical way to produce maps over large regions of the globe is with data of coarse spatial resolution, such as Advanced Very High Resolution Radiometer (AVHRR) weather satellite imagery at 1.1 km resolution or European Remote-Sensing Satellite (ERS) radar imagery at 100 m resolution. The accuracy of pixel counts as areal estimates is in doubt, especially for highly fragmented cover types such as fire scars and ponds. Efforts to improve areal estimates from coarse resolution maps have involved regression of apparent area from coarse data versus that from fine resolution in sample areas, but it has proven difficult to acquire sufficient fine scale data to develop the regression. A method for computing accurate estimates from coarse resolution maps using little or no fine data is therefore needed.

Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids

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

Dunn, Nicholas J. H.; Noid, W. G., E-mail: wnoid@chem.psu.edu

2015-12-28

The present work investigates the capability of bottom-up coarse-graining (CG) methods for accurately modeling both structural and thermodynamic properties of all-atom (AA) models for molecular liquids. In particular, we consider 1, 2, and 3-site CG models for heptane, as well as 1 and 3-site CG models for toluene. For each model, we employ the multiscale coarse-graining method to determine interaction potentials that optimally approximate the configuration dependence of the many-body potential of mean force (PMF). We employ a previously developed “pressure-matching” variational principle to determine a volume-dependent contribution to the potential, U{sub V}(V), that approximates the volume-dependence of the PMF.more » We demonstrate that the resulting CG models describe AA density fluctuations with qualitative, but not quantitative, accuracy. Accordingly, we develop a self-consistent approach for further optimizing U{sub V}, such that the CG models accurately reproduce the equilibrium density, compressibility, and average pressure of the AA models, although the CG models still significantly underestimate the atomic pressure fluctuations. Additionally, by comparing this array of models that accurately describe the structure and thermodynamic pressure of heptane and toluene at a range of different resolutions, we investigate the impact of bottom-up coarse-graining upon thermodynamic properties. In particular, we demonstrate that U{sub V} accounts for the reduced cohesion in the CG models. Finally, we observe that bottom-up coarse-graining introduces subtle correlations between the resolution, the cohesive energy density, and the “simplicity” of the model.« less

STOCK: Structure mapper and online coarse-graining kit for molecular simulations

DOE PAGES

Bevc, Staš; Junghans, Christoph; Praprotnik, Matej

2015-03-15

We present a web toolkit STructure mapper and Online Coarse-graining Kit for setting up coarse-grained molecular simulations. The kit consists of two tools: structure mapping and Boltzmann inversion tools. The aim of the first tool is to define a molecular mapping from high, e.g. all-atom, to low, i.e. coarse-grained, resolution. Using a graphical user interface it generates input files, which are compatible with standard coarse-graining packages, e.g. VOTCA and DL_CGMAP. Our second tool generates effective potentials for coarse-grained simulations preserving the structural properties, e.g. radial distribution functions, of the underlying higher resolution model. The required distribution functions can be providedmore » by any simulation package. Simulations are performed on a local machine and only the distributions are uploaded to the server. The applicability of the toolkit is validated by mapping atomistic pentane and polyalanine molecules to a coarse-grained representation. Effective potentials are derived for systems of TIP3P (transferable intermolecular potential 3 point) water molecules and salt solution. The presented coarse-graining web toolkit is available at http://stock.cmm.ki.si.« less

Bridging the scales in atmospheric composition simulations using a nudging technique

NASA Astrophysics Data System (ADS)

D'Isidoro, Massimo; Maurizi, Alberto; Russo, Felicita; Tampieri, Francesco

2010-05-01

Studying the interaction between climate and anthropogenic activities, specifically those concentrated in megacities/hot spots, requires the description of processes in a very wide range of scales from local, where anthropogenic emissions are concentrated to global where we are interested to study the impact of these sources. The description of all the processes at all scales within the same numerical implementation is not feasible because of limited computer resources. Therefore, different phenomena are studied by means of different numerical models that can cover different range of scales. The exchange of information from small to large scale is highly non-trivial though of high interest. In fact uncertainties in large scale simulations are expected to receive large contribution from the most polluted areas where the highly inhomogeneous distribution of sources connected to the intrinsic non-linearity of the processes involved can generate non negligible departures between coarse and fine scale simulations. In this work a new method is proposed and investigated in a case study (August 2009) using the BOLCHEM model. Monthly simulations at coarse (0.5° European domain, run A) and fine (0.1° Central Mediterranean domain, run B) horizontal resolution are performed using the coarse resolution as boundary condition for the fine one. Then another coarse resolution run (run C) is performed, in which the high resolution fields remapped on to the coarse grid are used to nudge the concentrations on the Po Valley area. The nudging is applied to all gas and aerosol species of BOLCHEM. Averaged concentrations and variances over Po Valley and other selected areas for O3 and PM are computed. It is observed that although the variance of run B is markedly larger than that of run A, the variance of run C is smaller because the remapping procedure removes large portion of variance from run B fields. Mean concentrations show some differences depending on species: in general mean values of run C lie between run A and run B. A propagation of the signal outside the nudging region is observed, and is evaluated in terms of differences between coarse resolution (with and without nudging) and fine resolution simulations.

Packing of sidechains in low-resolution models for proteins.

PubMed

Keskin, O; Bahar, I

1998-01-01

Atomic level rotamer libraries for sidechains in proteins have been proposed by several groups. Conformations of side groups in coarse-grained models, on the other hand, have not yet been analyzed, although low resolution approaches are the only efficient way to explore global structural features. A residue-specific backbone-dependent library for sidechain isomers, compatible with a coarse-grained model, is proposed. The isomeric states are utilized in packing sidechains of known backbone structures. Sidechain positions are predicted with a root-mean-square deviation (r.m.s.d.) of 2.40 A with respect to crystal structure for 50 test proteins. The rmsd for core residues is 1.60 A and decreases to 1.35 A when conformational correlations and directional effects in inter-residue couplings are considered. An automated method for assigning sidechain positions in coarse-grained model proteins is proposed and made available on the internet; the method accounts satisfactorily for sidechain packing, particularly in the core.

Linear mixing model applied to AVHRR LAC data

NASA Technical Reports Server (NTRS)

Holben, Brent N.; Shimabukuro, Yosio E.

1993-01-01

A linear mixing model was applied to coarse spatial resolution data from the NOAA Advanced Very High Resolution Radiometer. The reflective component of the 3.55 - 3.93 microns channel was extracted and used with the two reflective channels 0.58 - 0.68 microns and 0.725 - 1.1 microns to run a Constraine Least Squares model to generate vegetation, soil, and shade fraction images for an area in the Western region of Brazil. The Landsat Thematic Mapper data covering the Emas National park region was used for estimating the spectral response of the mixture components and for evaluating the mixing model results. The fraction images were compared with an unsupervised classification derived from Landsat TM data acquired on the same day. The relationship between the fraction images and normalized difference vegetation index images show the potential of the unmixing techniques when using coarse resolution data for global studies.

Hydrologic downscaling of soil moisture using global data without site-specific calibration

USDA-ARS?s Scientific Manuscript database

Numerous applications require fine-resolution (10-30 m) soil moisture patterns, but most satellite remote sensing and land-surface models provide coarse-resolution (9-60 km) soil moisture estimates. The Equilibrium Moisture from Topography, Vegetation, and Soil (EMT+VS) model downscales soil moistu...

Assessment of the scale effect on statistical downscaling quality at a station scale using a weather generator-based model

USDA-ARS?s Scientific Manuscript database

The resolution of General Circulation Models (GCMs) is too coarse to assess the fine scale or site-specific impacts of climate change. Downscaling approaches including dynamical and statistical downscaling have been developed to meet this requirement. As the resolution of climate model increases, it...

Spatial Modeling and Uncertainty Assessment of Fine Scale Surface Processes Based on Coarse Terrain Elevation Data

NASA Astrophysics Data System (ADS)

Rasera, L. G.; Mariethoz, G.; Lane, S. N.

2017-12-01

Frequent acquisition of high-resolution digital elevation models (HR-DEMs) over large areas is expensive and difficult. Satellite-derived low-resolution digital elevation models (LR-DEMs) provide extensive coverage of Earth's surface but at coarser spatial and temporal resolutions. Although useful for large scale problems, LR-DEMs are not suitable for modeling hydrologic and geomorphic processes at scales smaller than their spatial resolution. In this work, we present a multiple-point geostatistical approach for downscaling a target LR-DEM based on available high-resolution training data and recurrent high-resolution remote sensing images. The method aims at generating several equiprobable HR-DEMs conditioned to a given target LR-DEM by borrowing small scale topographic patterns from an analogue containing data at both coarse and fine scales. An application of the methodology is demonstrated by using an ensemble of simulated HR-DEMs as input to a flow-routing algorithm. The proposed framework enables a probabilistic assessment of the spatial structures generated by natural phenomena operating at scales finer than the available terrain elevation measurements. A case study in the Swiss Alps is provided to illustrate the methodology.

A boundary condition for layer to level ocean model interaction

NASA Astrophysics Data System (ADS)

Mask, A.; O'Brien, J.; Preller, R.

2003-04-01

A radiation boundary condition based on vertical normal modes is introduced to allow a physical transition between nested/coupled ocean models that are of differing vertical structure and/or differing physics. In this particular study, a fine resolution regional/coastal sigma-coordinate Naval Coastal Ocean Model (NCOM) has been successfully nested to a coarse resolution (in the horizontal and vertical) basin scale NCOM and a coarse resolution basin scale Navy Layered Ocean Model (NLOM). Both of these models were developed at the Naval Research Laboratory (NRL) at Stennis Space Center, Mississippi, USA. This new method, which decomposes the vertical structure of the models into barotropic and baroclinic modes, gives improved results in the coastal domain over Orlanski radiation boundary conditions for the test cases. The principle reason for the improvement is that each mode has the radiation boundary condition applied individually; therefore, the packet of information passing through the boundary is allowed to have multiple phase speeds instead of a single-phase speed. Allowing multiple phase speeds reduces boundary reflections, thus improving results.

Dynamically downscaling predictions for deciduous tree leaf emergence in California under current and future climate.

PubMed

Medvigy, David; Kim, Seung Hee; Kim, Jinwon; Kafatos, Menas C

2016-07-01

Models that predict the timing of deciduous tree leaf emergence are typically very sensitive to temperature. However, many temperature data products, including those from climate models, have been developed at a very coarse spatial resolution. Such coarse-resolution temperature products can lead to highly biased predictions of leaf emergence. This study investigates how dynamical downscaling of climate models impacts simulations of deciduous tree leaf emergence in California. Models for leaf emergence are forced with temperatures simulated by a general circulation model (GCM) at ~200-km resolution for 1981-2000 and 2031-2050 conditions. GCM simulations are then dynamically downscaled to 32- and 8-km resolution, and leaf emergence is again simulated. For 1981-2000, the regional average leaf emergence date is 30.8 days earlier in 32-km simulations than in ~200-km simulations. Differences between the 32 and 8 km simulations are small and mostly local. The impact of downscaling from 200 to 8 km is ~15 % smaller in 2031-2050 than in 1981-2000, indicating that the impacts of downscaling are unlikely to be stationary.

Linking models and data on vegetation structure

NASA Astrophysics Data System (ADS)

Hurtt, G. C.; Fisk, J.; Thomas, R. Q.; Dubayah, R.; Moorcroft, P. R.; Shugart, H. H.

2010-06-01

For more than a century, scientists have recognized the importance of vegetation structure in understanding forest dynamics. Now future satellite missions such as Deformation, Ecosystem Structure, and Dynamics of Ice (DESDynI) hold the potential to provide unprecedented global data on vegetation structure needed to reduce uncertainties in terrestrial carbon dynamics. Here, we briefly review the uses of data on vegetation structure in ecosystem models, develop and analyze theoretical models to quantify model-data requirements, and describe recent progress using a mechanistic modeling approach utilizing a formal scaling method and data on vegetation structure to improve model predictions. Generally, both limited sampling and coarse resolution averaging lead to model initialization error, which in turn is propagated in subsequent model prediction uncertainty and error. In cases with representative sampling, sufficient resolution, and linear dynamics, errors in initialization tend to compensate at larger spatial scales. However, with inadequate sampling, overly coarse resolution data or models, and nonlinear dynamics, errors in initialization lead to prediction error. A robust model-data framework will require both models and data on vegetation structure sufficient to resolve important environmental gradients and tree-level heterogeneity in forest structure globally.

Design and testing of a novel multi-stroke micropositioning system with variable resolutions.

PubMed

Xu, Qingsong

2014-02-01

Multi-stroke stages are demanded in micro-/nanopositioning applications which require smaller and larger motion strokes with fine and coarse resolutions, respectively. This paper presents the conceptual design of a novel multi-stroke, multi-resolution micropositioning stage driven by a single actuator for each working axis. It eliminates the issue of the interference among different drives, which resides in conventional multi-actuation stages. The stage is devised based on a fully compliant variable stiffness mechanism, which exhibits unequal stiffnesses in different strokes. Resistive strain sensors are employed to offer variable position resolutions in the different strokes. To quantify the design of the motion strokes and coarse/fine resolution ratio, analytical models are established. These models are verified through finite-element analysis simulations. A proof-of-concept prototype XY stage is designed, fabricated, and tested to demonstrate the feasibility of the presented ideas. Experimental results of static and dynamic testing validate the effectiveness of the proposed design.

Resolution-Adapted All-Atomic and Coarse-Grained Model for Biomolecular Simulations.

PubMed

Shen, Lin; Hu, Hao

2014-06-10

We develop here an adaptive multiresolution method for the simulation of complex heterogeneous systems such as the protein molecules. The target molecular system is described with the atomistic structure while maintaining concurrently a mapping to the coarse-grained models. The theoretical model, or force field, used to describe the interactions between two sites is automatically adjusted in the simulation processes according to the interaction distance/strength. Therefore, all-atomic, coarse-grained, or mixed all-atomic and coarse-grained models would be used together to describe the interactions between a group of atoms and its surroundings. Because the choice of theory is made on the force field level while the sampling is always carried out in the atomic space, the new adaptive method preserves naturally the atomic structure and thermodynamic properties of the entire system throughout the simulation processes. The new method will be very useful in many biomolecular simulations where atomistic details are critically needed.

Spatial heterogeneity of leaf area index across scales from simulation and remote sensing

NASA Astrophysics Data System (ADS)

Reichenau, Tim G.; Korres, Wolfgang; Montzka, Carsten; Schneider, Karl

2016-04-01

Leaf area index (LAI, single sided leaf area per ground area) influences mass and energy exchange of vegetated surfaces. Therefore LAI is an input variable for many land surface schemes of coupled large scale models, which do not simulate LAI. Since these models typically run on rather coarse resolution grids, LAI is often inferred from coarse resolution remote sensing. However, especially in agriculturally used areas, a grid cell of these products often covers more than a single land-use. In that case, the given LAI does not apply to any single land-use. Therefore, the overall spatial heterogeneity in these datasets differs from that on resolutions high enough to distinguish areas with differing land-use. Detailed process-based plant growth models simulate LAI for separate plant functional types or specific species. However, limited availability of observations causes reduced spatial heterogeneity of model input data (soil, weather, land-use). Since LAI is strongly heterogeneous in space and time and since processes depend on LAI in a nonlinear way, a correct representation of LAI spatial heterogeneity is also desirable on coarse resolutions. The current study assesses this issue by comparing the spatial heterogeneity of LAI from remote sensing (RapidEye) and process-based simulations (DANUBIA simulation system) across scales. Spatial heterogeneity is assessed by analyzing LAI frequency distributions (spatial variability) and semivariograms (spatial structure). Test case is the arable land in the fertile loess plain of the Rur catchment near the Germany-Netherlands border.

NASA Downscaling Project: Final Report

NASA Technical Reports Server (NTRS)

Ferraro, Robert; Waliser, Duane; Peters-Lidard, Christa

2017-01-01

A team of researchers from NASA Ames Research Center, Goddard Space Flight Center, the Jet Propulsion Laboratory, and Marshall Space Flight Center, along with university partners at UCLA, conducted an investigation to explore whether downscaling coarse resolution global climate model (GCM) predictions might provide valid insights into the regional impacts sought by decision makers. Since the computational cost of running global models at high spatial resolution for any useful climate scale period is prohibitive, the hope for downscaling is that a coarse resolution GCM provides sufficiently accurate synoptic scale information for a regional climate model (RCM) to accurately develop fine scale features that represent the regional impacts of a changing climate. As a proxy for a prognostic climate forecast model, and so that ground truth in the form of satellite and in-situ observations could be used for evaluation, the MERRA and MERRA - 2 reanalyses were used to drive the NU - WRF regional climate model and a GEOS - 5 replay. This was performed at various resolutions that were at factors of 2 to 10 higher than the reanalysis forcing. A number of experiments were conducted that varied resolution, model parameterizations, and intermediate scale nudging, for simulations over the continental US during the period from 2000 - 2010. The results of these experiments were compared to observational datasets to evaluate the output.

NASA Downscaling Project

NASA Technical Reports Server (NTRS)

Ferraro, Robert; Waliser, Duane; Peters-Lidard, Christa

2017-01-01

A team of researchers from NASA Ames Research Center, Goddard Space Flight Center, the Jet Propulsion Laboratory, and Marshall Space Flight Center, along with university partners at UCLA, conducted an investigation to explore whether downscaling coarse resolution global climate model (GCM) predictions might provide valid insights into the regional impacts sought by decision makers. Since the computational cost of running global models at high spatial resolution for any useful climate scale period is prohibitive, the hope for downscaling is that a coarse resolution GCM provides sufficiently accurate synoptic scale information for a regional climate model (RCM) to accurately develop fine scale features that represent the regional impacts of a changing climate. As a proxy for a prognostic climate forecast model, and so that ground truth in the form of satellite and in-situ observations could be used for evaluation, the MERRA and MERRA-2 reanalyses were used to drive the NU-WRF regional climate model and a GEOS-5 replay. This was performed at various resolutions that were at factors of 2 to 10 higher than the reanalysis forcing. A number of experiments were conducted that varied resolution, model parameterizations, and intermediate scale nudging, for simulations over the continental US during the period from 2000-2010. The results of these experiments were compared to observational datasets to evaluate the output.

Kawase & McDermott revisited with a proper ocean model.

NASA Astrophysics Data System (ADS)

Jochum, Markus; Poulsen, Mads; Nuterman, Roman

2017-04-01

A suite of experiments with global ocean models is used to test the hypothesis that Southern Ocean (SO) winds can modify the strength of the Atlantic Meridional Overturning Circulation (AMOC). It is found that for 3 and 1 degree resolution models the results are consistent with Toggweiler & Samuels (1995): stronger SO winds lead to a slight increase of the AMOC. In the simulations with 1/10 degree resolution, however, stronger SO winds weaken the AMOC. We show that these different outcomes are determined by the models' representation of topographic Rossby and Kelvin waves. Consistent with previous literature based on theory and idealized models, first baroclinic waves are slower in the coarse resolution models, but still manage to establish a pattern of global response that is similar to the one in the eddy-permitting model. Because of its different stratification, however, the Atlantic signal is transmitted by higher baroclinic modes. In the coarse resolution model these higher modes are dissipated before they reach 30N, whereas in the eddy-permitting model they reach the subpolar gyre undiminished. This inability of non-eddy-permitting ocean models to represent planetary waves with higher baroclinic modes casts doubt on the ability of climate models to represent non-local effects of climate change. Ideas on how to overcome these difficulties will be discussed.

Optimal Design of Experiments by Combining Coarse and Fine Measurements

NASA Astrophysics Data System (ADS)

Lee, Alpha A.; Brenner, Michael P.; Colwell, Lucy J.

2017-11-01

In many contexts, it is extremely costly to perform enough high-quality experimental measurements to accurately parametrize a predictive quantitative model. However, it is often much easier to carry out large numbers of experiments that indicate whether each sample is above or below a given threshold. Can many such categorical or "coarse" measurements be combined with a much smaller number of high-resolution or "fine" measurements to yield accurate models? Here, we demonstrate an intuitive strategy, inspired by statistical physics, wherein the coarse measurements are used to identify the salient features of the data, while the fine measurements determine the relative importance of these features. A linear model is inferred from the fine measurements, augmented by a quadratic term that captures the correlation structure of the coarse data. We illustrate our strategy by considering the problems of predicting the antimalarial potency and aqueous solubility of small organic molecules from their 2D molecular structure.

Graphics Processing Unit (GPU) Acceleration of the Goddard Earth Observing System Atmospheric Model

NASA Technical Reports Server (NTRS)

Putnam, Williama

2011-01-01

The Goddard Earth Observing System 5 (GEOS-5) is the atmospheric model used by the Global Modeling and Assimilation Office (GMAO) for a variety of applications, from long-term climate prediction at relatively coarse resolution, to data assimilation and numerical weather prediction, to very high-resolution cloud-resolving simulations. GEOS-5 is being ported to a graphics processing unit (GPU) cluster at the NASA Center for Climate Simulation (NCCS). By utilizing GPU co-processor technology, we expect to increase the throughput of GEOS-5 by at least an order of magnitude, and accelerate the process of scientific exploration across all scales of global modeling, including: The large-scale, high-end application of non-hydrostatic, global, cloud-resolving modeling at 10- to I-kilometer (km) global resolutions Intermediate-resolution seasonal climate and weather prediction at 50- to 25-km on small clusters of GPUs Long-range, coarse-resolution climate modeling, enabled on a small box of GPUs for the individual researcher After being ported to the GPU cluster, the primary physics components and the dynamical core of GEOS-5 have demonstrated a potential speedup of 15-40 times over conventional processor cores. Performance improvements of this magnitude reduce the required scalability of 1-km, global, cloud-resolving models from an unfathomable 6 million cores to an attainable 200,000 GPU-enabled cores.

Consistent integration of experimental and ab initio data into molecular and coarse-grained models

NASA Astrophysics Data System (ADS)

Vlcek, Lukas

As computer simulations are increasingly used to complement or replace experiments, highly accurate descriptions of physical systems at different time and length scales are required to achieve realistic predictions. The questions of how to objectively measure model quality in relation to reference experimental or ab initio data, and how to transition seamlessly between different levels of resolution are therefore of prime interest. To address these issues, we use the concept of statistical distance to define a measure of similarity between statistical mechanical systems, i.e., a model and its target, and show that its minimization leads to general convergence of the systems' measurable properties. Through systematic coarse-graining, we arrive at appropriate expressions for optimization loss functions consistently incorporating microscopic ab initio data as well as macroscopic experimental data. The design of coarse-grained and multiscale models is then based on factoring the model system partition function into terms describing the system at different resolution levels. The optimization algorithm takes advantage of thermodynamic perturbation expressions for fast exploration of the model parameter space, enabling us to scan millions of parameter combinations per hour on a single CPU. The robustness and generality of the new model optimization framework and its efficient implementation are illustrated on selected examples including aqueous solutions, magnetic systems, and metal alloys.

Accurate reconstruction of 3D cardiac geometry from coarsely-sliced MRI.

PubMed

Ringenberg, Jordan; Deo, Makarand; Devabhaktuni, Vijay; Berenfeld, Omer; Snyder, Brett; Boyers, Pamela; Gold, Jeffrey

2014-02-01

We present a comprehensive validation analysis to assess the geometric impact of using coarsely-sliced short-axis images to reconstruct patient-specific cardiac geometry. The methods utilize high-resolution diffusion tensor MRI (DTMRI) datasets as reference geometries from which synthesized coarsely-sliced datasets simulating in vivo MRI were produced. 3D models are reconstructed from the coarse data using variational implicit surfaces through a commonly used modeling tool, CardioViz3D. The resulting geometries were then compared to the reference DTMRI models from which they were derived to analyze how well the synthesized geometries approximate the reference anatomy. Averaged over seven hearts, 95% spatial overlap, less than 3% volume variability, and normal-to-surface distance of 0.32 mm was observed between the synthesized myocardial geometries reconstructed from 8 mm sliced images and the reference data. The results provide strong supportive evidence to validate the hypothesis that coarsely-sliced MRI may be used to accurately reconstruct geometric ventricular models. Furthermore, the use of DTMRI for validation of in vivo MRI presents a novel benchmark procedure for studies which aim to substantiate their modeling and simulation methods using coarsely-sliced cardiac data. In addition, the paper outlines a suggested original procedure for deriving image-based ventricular models using the CardioViz3D software. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Simulations of hydrologic response in the Apalachicola-Chattahoochee-Flint River Basin, Southeastern United States

USGS Publications Warehouse

LaFontaine, Jacob H.; Jones, L. Elliott; Painter, Jaime A.

2017-12-29

A suite of hydrologic models has been developed for the Apalachicola-Chattahoochee-Flint River Basin (ACFB) as part of the National Water Census, a U.S. Geological Survey research program that focuses on developing new water accounting tools and assessing water availability and use at the regional and national scales. Seven hydrologic models were developed using the Precipitation-Runoff Modeling System (PRMS), a deterministic, distributed-parameter, process-based system that simulates the effects of precipitation, temperature, land cover, and water use on basin hydrology. A coarse-resolution PRMS model was developed for the entire ACFB, and six fine-resolution PRMS models were developed for six subbasins of the ACFB. The coarse-resolution model was loosely coupled with a groundwater model to better assess the effects of water use on streamflow in the lower ACFB, a complex geologic setting with karst features. The PRMS coarse-resolution model was used to provide inputs of recharge to the groundwater model, which in turn provide simulations of groundwater flow that were aggregated with PRMS-based simulations of surface runoff and shallow-subsurface flow. Simulations without the effects of water use were developed for each model for at least the calendar years 1982–2012 with longer periods for the Potato Creek subbasin (1942–2012) and the Spring Creek subbasin (1952–2012). Water-use-affected flows were simulated for 2008–12. Water budget simulations showed heterogeneous distributions of precipitation, actual evapotranspiration, recharge, runoff, and storage change across the ACFB. Streamflow volume differences between no-water-use and water-use simulations were largest along the main stem of the Apalachicola and Chattahoochee River Basins, with streamflow percentage differences largest in the upper Chattahoochee and Flint River Basins and Spring Creek in the lower Flint River Basin. Water-use information at a shorter time step and a fully coupled simulation in the lower ACFB may further improve water availability estimates and hydrologic simulations in the basin.

Assessment of the effects of horizontal grid resolution on long ...

EPA Pesticide Factsheets

The objective of this study is to determine the adequacy of using a relatively coarse horizontal resolution (i.e. 36 km) to simulate long-term trends of pollutant concentrations and radiation variables with the coupled WRF-CMAQ model. WRF-CMAQ simulations over the continental United State are performed over the 2001 to 2010 time period at two different horizontal resolutions of 12 and 36 km. Both simulations used the same emission inventory and model configurations. Model results are compared both in space and time to assess the potential weaknesses and strengths of using coarse resolution in long-term air quality applications. The results show that the 36 km and 12 km simulations are comparable in terms of trends analysis for both pollutant concentrations and radiation variables. The advantage of using the coarser 36 km resolution is a significant reduction of computational cost, time and storage requirement which are key considerations when performing multiple years of simulations for trend analysis. However, if such simulations are to be used for local air quality analysis, finer horizontal resolution may be beneficial since it can provide information on local gradients. In particular, divergences between the two simulations are noticeable in urban, complex terrain and coastal regions. The National Exposure Research Laboratory’s Atmospheric Modeling Division (AMAD) conducts research in support of EPA’s mission to protect human health and the environment.

Climate model biases in jet streams, blocking and storm tracks resulting from missing orographic drag

NASA Astrophysics Data System (ADS)

Pithan, Felix; Shepherd, Theodore G.; Zappa, Giuseppe; Sandu, Irina

2016-07-01

State-of-the art climate models generally struggle to represent important features of the large-scale circulation. Common model deficiencies include an equatorward bias in the location of the midlatitude westerlies and an overly zonal orientation of the North Atlantic storm track. Orography is known to strongly affect the atmospheric circulation and is notoriously difficult to represent in coarse-resolution climate models. Yet how the representation of orography affects circulation biases in current climate models is not understood. Here we show that the effects of switching off the parameterization of drag from low-level orographic blocking in one climate model resemble the biases of the Coupled Model Intercomparison Project Phase 5 ensemble: An overly zonal wintertime North Atlantic storm track and less European blocking events, and an equatorward shift in the Southern Hemispheric jet and increase in the Southern Annular Mode time scale. This suggests that typical circulation biases in coarse-resolution climate models may be alleviated by improved parameterizations of low-level drag.

Parameterized and resolved Southern Ocean eddy compensation

NASA Astrophysics Data System (ADS)

Poulsen, Mads B.; Jochum, Markus; Nuterman, Roman

2018-04-01

The ability to parameterize Southern Ocean eddy effects in a forced coarse resolution ocean general circulation model is assessed. The transient model response to a suite of different Southern Ocean wind stress forcing perturbations is presented and compared to identical experiments performed with the same model in 0.1° eddy-resolving resolution. With forcing of present-day wind stress magnitude and a thickness diffusivity formulated in terms of the local stratification, it is shown that the Southern Ocean residual meridional overturning circulation in the two models is different in structure and magnitude. It is found that the difference in the upper overturning cell is primarily explained by an overly strong subsurface flow in the parameterized eddy-induced circulation while the difference in the lower cell is mainly ascribed to the mean-flow overturning. With a zonally constant decrease of the zonal wind stress by 50% we show that the absolute decrease in the overturning circulation is insensitive to model resolution, and that the meridional isopycnal slope is relaxed in both models. The agreement between the models is not reproduced by a 50% wind stress increase, where the high resolution overturning decreases by 20%, but increases by 100% in the coarse resolution model. It is demonstrated that this difference is explained by changes in surface buoyancy forcing due to a reduced Antarctic sea ice cover, which strongly modulate the overturning response and ocean stratification. We conclude that the parameterized eddies are able to mimic the transient response to altered wind stress in the high resolution model, but partly misrepresent the unperturbed Southern Ocean meridional overturning circulation and associated heat transports.

Predicting Vulnerability of the Integrity and Connectivity Associated with Culverts in Low Order Streams of Northern Michigan

NASA Astrophysics Data System (ADS)

King, C. H.; Wagenbrenner, J.; Fedora, M.; Watkins, D.; Watkins, M. K.; Huckins, C.

2017-12-01

The Great Lakes Region of North America has experienced more frequent extreme precipitation events in recent decades, resulting in a large number of stream crossing failures. While there are accepted methods for designing stream crossings to accommodate peak storm discharges, less attention has been paid to assessing the risk of failure. To evaluate failure risk and potential impacts, coarse-resolution stream crossing surveys were completed on 51 stream crossings and dams in the North Branch Paint River watershed in Michigan's Upper Peninsula. These inventories determined stream crossing dimensions along with stream and watershed characteristics. Eleven culverts were selected from the coarse surveys for high resolution hydraulic analysis to estimate discharge conditions expected at crossing failure. Watershed attributes upstream of the crossing, including area, slope, and storage, were acquired. Sediment discharge and the economic impact associated with a failure event were also estimated for each stream crossing. Impacts to stream connectivity and fish passability were assessed from the coarse-level surveys. Using information from both the coarse and high-resolution surveys, we also developed indicators to predict failure risk without the need for complex hydraulic modeling. These passability scores and failure risk indicators will help to prioritize infrastructure replacement and improve the overall connectivity of river systems throughout the upper Great Lakes Region.

Coarse climate change projections for species living in a fine-scaled world.

PubMed

Nadeau, Christopher P; Urban, Mark C; Bridle, Jon R

2017-01-01

Accurately predicting biological impacts of climate change is necessary to guide policy. However, the resolution of climate data could be affecting the accuracy of climate change impact assessments. Here, we review the spatial and temporal resolution of climate data used in impact assessments and demonstrate that these resolutions are often too coarse relative to biologically relevant scales. We then develop a framework that partitions climate into three important components: trend, variance, and autocorrelation. We apply this framework to map different global climate regimes and identify where coarse climate data is most and least likely to reduce the accuracy of impact assessments. We show that impact assessments for many large mammals and birds use climate data with a spatial resolution similar to the biologically relevant area encompassing population dynamics. Conversely, impact assessments for many small mammals, herpetofauna, and plants use climate data with a spatial resolution that is orders of magnitude larger than the area encompassing population dynamics. Most impact assessments also use climate data with a coarse temporal resolution. We suggest that climate data with a coarse spatial resolution is likely to reduce the accuracy of impact assessments the most in climates with high spatial trend and variance (e.g., much of western North and South America) and the least in climates with low spatial trend and variance (e.g., the Great Plains of the USA). Climate data with a coarse temporal resolution is likely to reduce the accuracy of impact assessments the most in the northern half of the northern hemisphere where temporal climatic variance is high. Our framework provides one way to identify where improving the resolution of climate data will have the largest impact on the accuracy of biological predictions under climate change. © 2016 John Wiley & Sons Ltd.

A reduced-order modeling approach to represent subgrid-scale hydrological dynamics for land-surface simulations: application in a polygonal tundra landscape

DOE PAGES

Pau, G. S. H.; Bisht, G.; Riley, W. J.

2014-09-17

Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO 2, CH 4) exchanges with the atmosphere range from the molecular scale (pore-scale O 2 consumption) to tens of kilometers (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e.g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a reduced-order modeling (ROM) technique known as "proper orthogonal decomposition mapping method" thatmore » reconstructs temporally resolved fine-resolution solutions based on coarse-resolution solutions. We developed four different methods and applied them to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface–subsurface isothermal simulations were performed for summer months (June–September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998–2000) to build ROMs of the 4-D soil moisture field for the study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 10 3) with very small relative approximation error (< 0.1%) for 2 validation years not used in training the ROM. We also demonstrate that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training data set with relatively good accuracy (< 1.7% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. By coupling the ROMs constructed at different scales together hierarchically, this method has the potential to efficiently increase the resolution of land models for coupled climate simulations to spatial scales consistent with mechanistic physical process representation.« less

Sensitivity to grid resolution in the ability of a chemical transport model to simulate observed oxidant chemistry under high-isoprene conditions

NASA Astrophysics Data System (ADS)

Yu, Karen; Jacob, Daniel J.; Fisher, Jenny A.; Kim, Patrick S.; Marais, Eloise A.; Miller, Christopher C.; Travis, Katherine R.; Zhu, Lei; Yantosca, Robert M.; Sulprizio, Melissa P.; Cohen, Ron C.; Dibb, Jack E.; Fried, Alan; Mikoviny, Tomas; Ryerson, Thomas B.; Wennberg, Paul O.; Wisthaler, Armin

2016-04-01

Formation of ozone and organic aerosol in continental atmospheres depends on whether isoprene emitted by vegetation is oxidized by the high-NOx pathway (where peroxy radicals react with NO) or by low-NOx pathways (where peroxy radicals react by alternate channels, mostly with HO2). We used mixed layer observations from the SEAC4RS aircraft campaign over the Southeast US to test the ability of the GEOS-Chem chemical transport model at different grid resolutions (0.25° × 0.3125°, 2° × 2.5°, 4° × 5°) to simulate this chemistry under high-isoprene, variable-NOx conditions. Observations of isoprene and NOx over the Southeast US show a negative correlation, reflecting the spatial segregation of emissions; this negative correlation is captured in the model at 0.25° × 0.3125° resolution but not at coarser resolutions. As a result, less isoprene oxidation takes place by the high-NOx pathway in the model at 0.25° × 0.3125° resolution (54 %) than at coarser resolution (59 %). The cumulative probability distribution functions (CDFs) of NOx, isoprene, and ozone concentrations show little difference across model resolutions and good agreement with observations, while formaldehyde is overestimated at coarse resolution because excessive isoprene oxidation takes place by the high-NOx pathway with high formaldehyde yield. The good agreement of simulated and observed concentration variances implies that smaller-scale non-linearities (urban and power plant plumes) are not important on the regional scale. Correlations of simulated vs. observed concentrations do not improve with grid resolution because finer modes of variability are intrinsically more difficult to capture. Higher model resolution leads to decreased conversion of NOx to organic nitrates and increased conversion to nitric acid, with total reactive nitrogen oxides (NOy) changing little across model resolutions. Model concentrations in the lower free troposphere are also insensitive to grid resolution. The overall low sensitivity of modeled concentrations to grid resolution implies that coarse resolution is adequate when modeling continental boundary layer chemistry for global applications.

Global tropospheric ozone modeling: Quantifying errors due to grid resolution

NASA Astrophysics Data System (ADS)

Wild, Oliver; Prather, Michael J.

2006-06-01

Ozone production in global chemical models is dependent on model resolution because ozone chemistry is inherently nonlinear, the timescales for chemical production are short, and precursors are artificially distributed over the spatial scale of the model grid. In this study we examine the sensitivity of ozone, its precursors, and its production to resolution by running a global chemical transport model at four different resolutions between T21 (5.6° × 5.6°) and T106 (1.1° × 1.1°) and by quantifying the errors in regional and global budgets. The sensitivity to vertical mixing through the parameterization of boundary layer turbulence is also examined. We find less ozone production in the boundary layer at higher resolution, consistent with slower chemical production in polluted emission regions and greater export of precursors. Agreement with ozonesonde and aircraft measurements made during the NASA TRACE-P campaign over the western Pacific in spring 2001 is consistently better at higher resolution. We demonstrate that the numerical errors in transport processes on a given resolution converge geometrically for a tracer at successively higher resolutions. The convergence in ozone production on progressing from T21 to T42, T63, and T106 resolution is likewise monotonic but indicates that there are still large errors at 120 km scales, suggesting that T106 resolution is too coarse to resolve regional ozone production. Diagnosing the ozone production and precursor transport that follow a short pulse of emissions over east Asia in springtime allows us to quantify the impacts of resolution on both regional and global ozone. Production close to continental emission regions is overestimated by 27% at T21 resolution, by 13% at T42 resolution, and by 5% at T106 resolution. However, subsequent ozone production in the free troposphere is not greatly affected. We find that the export of short-lived precursors such as NOx by convection is overestimated at coarse resolution.

Relative resolution: A hybrid formalism for fluid mixtures.

PubMed

Chaimovich, Aviel; Peter, Christine; Kremer, Kurt

2015-12-28

We show here that molecular resolution is inherently hybrid in terms of relative separation. While nearest neighbors are characterized by a fine-grained (geometrically detailed) model, other neighbors are characterized by a coarse-grained (isotropically simplified) model. We notably present an analytical expression for relating the two models via energy conservation. This hybrid framework is correspondingly capable of retrieving the structural and thermal behavior of various multi-component and multi-phase fluids across state space.

Relative resolution: A hybrid formalism for fluid mixtures

NASA Astrophysics Data System (ADS)

Chaimovich, Aviel; Peter, Christine; Kremer, Kurt

2015-12-01

We show here that molecular resolution is inherently hybrid in terms of relative separation. While nearest neighbors are characterized by a fine-grained (geometrically detailed) model, other neighbors are characterized by a coarse-grained (isotropically simplified) model. We notably present an analytical expression for relating the two models via energy conservation. This hybrid framework is correspondingly capable of retrieving the structural and thermal behavior of various multi-component and multi-phase fluids across state space.

Analyzing the Effects of Horizontal Resolution on Long-Term Coupled WRF-CMAQ Simulations

EPA Science Inventory

The objective of this study is to determine the adequacy of using a relatively coarse horizontal resolution (i.e. 36 km) to simulate long-term trends of pollutant concentrations and radiation variables with the coupled WRF-CMAQ model. To this end, WRF-CMAQ simulations over the co...

Towards improved parameterization of a macroscale hydrologic model in a discontinuous permafrost boreal forest ecosystem

DOE PAGES

Endalamaw, Abraham; Bolton, W. Robert; Young-Robertson, Jessica M.; ...

2017-09-14

Modeling hydrological processes in the Alaskan sub-arctic is challenging because of the extreme spatial heterogeneity in soil properties and vegetation communities. Nevertheless, modeling and predicting hydrological processes is critical in this region due to its vulnerability to the effects of climate change. Coarse-spatial-resolution datasets used in land surface modeling pose a new challenge in simulating the spatially distributed and basin-integrated processes since these datasets do not adequately represent the small-scale hydrological, thermal, and ecological heterogeneity. The goal of this study is to improve the prediction capacity of mesoscale to large-scale hydrological models by introducing a small-scale parameterization scheme, which bettermore » represents the spatial heterogeneity of soil properties and vegetation cover in the Alaskan sub-arctic. The small-scale parameterization schemes are derived from observations and a sub-grid parameterization method in the two contrasting sub-basins of the Caribou Poker Creek Research Watershed (CPCRW) in Interior Alaska: one nearly permafrost-free (LowP) sub-basin and one permafrost-dominated (HighP) sub-basin. The sub-grid parameterization method used in the small-scale parameterization scheme is derived from the watershed topography. We found that observed soil thermal and hydraulic properties – including the distribution of permafrost and vegetation cover heterogeneity – are better represented in the sub-grid parameterization method than the coarse-resolution datasets. Parameters derived from the coarse-resolution datasets and from the sub-grid parameterization method are implemented into the variable infiltration capacity (VIC) mesoscale hydrological model to simulate runoff, evapotranspiration (ET), and soil moisture in the two sub-basins of the CPCRW. Simulated hydrographs based on the small-scale parameterization capture most of the peak and low flows, with similar accuracy in both sub-basins, compared to simulated hydrographs based on the coarse-resolution datasets. On average, the small-scale parameterization scheme improves the total runoff simulation by up to 50 % in the LowP sub-basin and by up to 10 % in the HighP sub-basin from the large-scale parameterization. This study shows that the proposed sub-grid parameterization method can be used to improve the performance of mesoscale hydrological models in the Alaskan sub-arctic watersheds.« less

Towards improved parameterization of a macroscale hydrologic model in a discontinuous permafrost boreal forest ecosystem

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

Endalamaw, Abraham; Bolton, W. Robert; Young-Robertson, Jessica M.

Modeling hydrological processes in the Alaskan sub-arctic is challenging because of the extreme spatial heterogeneity in soil properties and vegetation communities. Nevertheless, modeling and predicting hydrological processes is critical in this region due to its vulnerability to the effects of climate change. Coarse-spatial-resolution datasets used in land surface modeling pose a new challenge in simulating the spatially distributed and basin-integrated processes since these datasets do not adequately represent the small-scale hydrological, thermal, and ecological heterogeneity. The goal of this study is to improve the prediction capacity of mesoscale to large-scale hydrological models by introducing a small-scale parameterization scheme, which bettermore » represents the spatial heterogeneity of soil properties and vegetation cover in the Alaskan sub-arctic. The small-scale parameterization schemes are derived from observations and a sub-grid parameterization method in the two contrasting sub-basins of the Caribou Poker Creek Research Watershed (CPCRW) in Interior Alaska: one nearly permafrost-free (LowP) sub-basin and one permafrost-dominated (HighP) sub-basin. The sub-grid parameterization method used in the small-scale parameterization scheme is derived from the watershed topography. We found that observed soil thermal and hydraulic properties – including the distribution of permafrost and vegetation cover heterogeneity – are better represented in the sub-grid parameterization method than the coarse-resolution datasets. Parameters derived from the coarse-resolution datasets and from the sub-grid parameterization method are implemented into the variable infiltration capacity (VIC) mesoscale hydrological model to simulate runoff, evapotranspiration (ET), and soil moisture in the two sub-basins of the CPCRW. Simulated hydrographs based on the small-scale parameterization capture most of the peak and low flows, with similar accuracy in both sub-basins, compared to simulated hydrographs based on the coarse-resolution datasets. On average, the small-scale parameterization scheme improves the total runoff simulation by up to 50 % in the LowP sub-basin and by up to 10 % in the HighP sub-basin from the large-scale parameterization. This study shows that the proposed sub-grid parameterization method can be used to improve the performance of mesoscale hydrological models in the Alaskan sub-arctic watersheds.« less

Dynamical Downscaling of Typhoon Vera (1959) and related Storm Surge based on JRA-55 Reanalysis

NASA Astrophysics Data System (ADS)

Ninomiya, J.; Takemi, T.; Mori, N.; Shibutani, Y.; Kim, S.

2015-12-01

Typhoon Vera in 1959 is historical extreme typhoon that caused severest typhoon damage mainly due to the storm surge up to 389 cm in Japan. Vera developed 895 hPa on offshore and landed with 929.2 hPa. There are many studies of the dynamical downscaling of Vera but it is difficult to simulate accurately because of the lack of the accuracy of global reanalysis data. This study carried out dynamical downscaling experiment of Vera using WRF downscaling forced by JRA-55 that are latest atmospheric model and reanalysis data. In this study, the reproducibility of five global reanalysis data for Typhoon Vera were compered. Comparison shows that reanalysis data doesn't have strong typhoon information except for JRA-55, so that downscaling with conventional reanalysis data goes wrong. The dynamical downscaling method for storm surge is studied very much (e.g. choice of physical model, nudging, 4D-VAR, bogus and so on). In this study, domain size and resolution of the coarse domain were considered. The coarse domain size influences the typhoon route and central pressure, and larger domain restrains the typhoon strength. The results of simulations with different domain size show that the threshold of developing restrain is whether the coarse domain fully includes the area of wind speed more than 15 m/s around the typhoon. The results of simulations with different resolution show that the resolution doesn't affect the typhoon route, and higher resolution gives stronger typhoon simulation.

TOWARDS AN IMPROVED UNDERSTANDING OF SIMULATED AND OBSERVED CHANGES IN EXTREME PRECIPITATION

EPA Science Inventory

The evaluation of climate model precipitation is expected to reveal biases in simulated mean and extreme precipitation which may be a result of coarse model resolution or inefficiencies in the precipitation generating mechanisms in models. The analysis of future extreme precip...

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

Pau, G. S. H.; Bisht, G.; Riley, W. J.

Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO 2, CH 4) exchanges with the atmosphere range from the molecular scale (pore-scale O 2 consumption) to tens of kilometers (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e.g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a reduced-order modeling (ROM) technique known as "proper orthogonal decomposition mapping method" thatmore » reconstructs temporally resolved fine-resolution solutions based on coarse-resolution solutions. We developed four different methods and applied them to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface–subsurface isothermal simulations were performed for summer months (June–September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998–2000) to build ROMs of the 4-D soil moisture field for the study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 10 3) with very small relative approximation error (< 0.1%) for 2 validation years not used in training the ROM. We also demonstrate that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training data set with relatively good accuracy (< 1.7% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. By coupling the ROMs constructed at different scales together hierarchically, this method has the potential to efficiently increase the resolution of land models for coupled climate simulations to spatial scales consistent with mechanistic physical process representation.« less

The Dynamic General Vegetation Model MC1 over the United States and Canada at a 5-arcminute resolution: model inputs and outputs

Treesearch

Ray Drapek; John B. Kim; Ronald P. Neilson

2015-01-01

Land managers need to include climate change in their decisionmaking, but the climate models that project future climates operate at spatial scales that are too coarse to be of direct use. To create a dataset more useful to managers, soil and historical climate were assembled for the United States and Canada at a 5-arcminute grid resolution. Nine CMIP3 future climate...

Downscaling soil moisture over regions that include multiple coarse-resolution grid cells

USDA-ARS?s Scientific Manuscript database

Many applications require soil moisture estimates over large spatial extents (30-300 km) and at fine-resolutions (10-30 m). Remote-sensing methods can provide soil moisture estimates over very large spatial extents (continental to global) at coarse resolutions (10-40 km), but their output must be d...

: “Developing Regional Modeling Techniques Applicable for Simulating Future Climate Conditions in the Carolinas”

EPA Science Inventory

Global climate models (GCMs) are currently used to obtain information about future changes in the large-scale climate. However, such simulations are typically done at coarse spatial resolutions, with model grid boxes on the order of 100 km on a horizontal side. Therefore, techniq...

Assumption-versus data-based approaches to summarizing species' ranges.

PubMed

Peterson, A Townsend; Navarro-Sigüenza, Adolfo G; Gordillo, Alejandro

2018-06-01

For conservation decision making, species' geographic distributions are mapped using various approaches. Some such efforts have downscaled versions of coarse-resolution extent-of-occurrence maps to fine resolutions for conservation planning. We examined the quality of the extent-of-occurrence maps as range summaries and the utility of refining those maps into fine-resolution distributional hypotheses. Extent-of-occurrence maps tend to be overly simple, omit many known and well-documented populations, and likely frequently include many areas not holding populations. Refinement steps involve typological assumptions about habitat preferences and elevational ranges of species, which can introduce substantial error in estimates of species' true areas of distribution. However, no model-evaluation steps are taken to assess the predictive ability of these models, so model inaccuracies are not noticed. Whereas range summaries derived by these methods may be useful in coarse-grained, global-extent studies, their continued use in on-the-ground conservation applications at fine spatial resolutions is not advisable in light of reliance on assumptions, lack of real spatial resolution, and lack of testing. In contrast, data-driven techniques that integrate primary data on biodiversity occurrence with remotely sensed data that summarize environmental dimensions (i.e., ecological niche modeling or species distribution modeling) offer data-driven solutions based on a minimum of assumptions that can be evaluated and validated quantitatively to offer a well-founded, widely accepted method for summarizing species' distributional patterns for conservation applications. © 2016 Society for Conservation Biology.

Assessment of the effects of horizontal grid resolution on long-term air quality trends using coupled WRF-CMAQ simulations

EPA Science Inventory

The objective of this study is to determine the adequacy of using a relatively coarse horizontal resolution (i.e. 36 km) to simulate long-term trends of pollutant concentrations and radiation variables with the coupled WRF-CMAQ model. WRF-CMAQ simulations over the continental Uni...

Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM)

NASA Astrophysics Data System (ADS)

Sinitskiy, Anton V.; Voth, Gregory A.

2018-01-01

Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used. However, the QM/MM approach often faces a number of challenges, including the high cost of repetitive QM computations, the slow sampling even for the MM part in those cases where a system under investigation has a complex dynamics, and a difficulty in providing a simple, qualitative interpretation of numerical results in terms of the influence of the molecular environment upon the active QM region. In this paper, we address these issues by combining QM/MM modeling with the methodology of "bottom-up" coarse-graining (CG) to provide the theoretical basis for a systematic quantum-mechanical/coarse-grained molecular mechanics (QM/CG-MM) mixed resolution approach. A derivation of the method is presented based on a combination of statistical mechanics and quantum mechanics, leading to an equation for the effective Hamiltonian of the QM part, a central concept in the QM/CG-MM theory. A detailed analysis of different contributions to the effective Hamiltonian from electrostatic, induction, dispersion, and exchange interactions between the QM part and the surroundings is provided, serving as a foundation for a potential hierarchy of QM/CG-MM methods varying in their accuracy and computational cost. A relationship of the QM/CG-MM methodology to other mixed resolution approaches is also discussed.

Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM).

PubMed

Sinitskiy, Anton V; Voth, Gregory A

2018-01-07

Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used. However, the QM/MM approach often faces a number of challenges, including the high cost of repetitive QM computations, the slow sampling even for the MM part in those cases where a system under investigation has a complex dynamics, and a difficulty in providing a simple, qualitative interpretation of numerical results in terms of the influence of the molecular environment upon the active QM region. In this paper, we address these issues by combining QM/MM modeling with the methodology of "bottom-up" coarse-graining (CG) to provide the theoretical basis for a systematic quantum-mechanical/coarse-grained molecular mechanics (QM/CG-MM) mixed resolution approach. A derivation of the method is presented based on a combination of statistical mechanics and quantum mechanics, leading to an equation for the effective Hamiltonian of the QM part, a central concept in the QM/CG-MM theory. A detailed analysis of different contributions to the effective Hamiltonian from electrostatic, induction, dispersion, and exchange interactions between the QM part and the surroundings is provided, serving as a foundation for a potential hierarchy of QM/CG-MM methods varying in their accuracy and computational cost. A relationship of the QM/CG-MM methodology to other mixed resolution approaches is also discussed.

Multiresolution Iterative Reconstruction in High-Resolution Extremity Cone-Beam CT

PubMed Central

Cao, Qian; Zbijewski, Wojciech; Sisniega, Alejandro; Yorkston, John; Siewerdsen, Jeffrey H; Stayman, J Webster

2016-01-01

Application of model-based iterative reconstruction (MBIR) to high resolution cone-beam CT (CBCT) is computationally challenging because of the very fine discretization (voxel size <100 µm) of the reconstructed volume. Moreover, standard MBIR techniques require that the complete transaxial support for the acquired projections is reconstructed, thus precluding acceleration by restricting the reconstruction to a region-of-interest. To reduce the computational burden of high resolution MBIR, we propose a multiresolution Penalized-Weighted Least Squares (PWLS) algorithm, where the volume is parameterized as a union of fine and coarse voxel grids as well as selective binning of detector pixels. We introduce a penalty function designed to regularize across the boundaries between the two grids. The algorithm was evaluated in simulation studies emulating an extremity CBCT system and in a physical study on a test-bench. Artifacts arising from the mismatched discretization of the fine and coarse sub-volumes were investigated. The fine grid region was parameterized using 0.15 mm voxels and the voxel size in the coarse grid region was varied by changing a downsampling factor. No significant artifacts were found in either of the regions for downsampling factors of up to 4×. For a typical extremities CBCT volume size, this downsampling corresponds to an acceleration of the reconstruction that is more than five times faster than a brute force solution that applies fine voxel parameterization to the entire volume. For certain configurations of the coarse and fine grid regions, in particular when the boundary between the regions does not cross high attenuation gradients, downsampling factors as high as 10× can be used without introducing artifacts, yielding a ~50× speedup in PWLS. The proposed multiresolution algorithm significantly reduces the computational burden of high resolution iterative CBCT reconstruction and can be extended to other applications of MBIR where computationally expensive, high-fidelity forward models are applied only to a sub-region of the field-of-view. PMID:27694701

Folding 19 proteins to their native state and stability of large proteins from a coarse-grained model.

PubMed

Kapoor, Abhijeet; Travesset, Alex

2014-03-01

We develop an intermediate resolution model, where the backbone is modeled with atomic resolution but the side chain with a single bead, by extending our previous model (Proteins (2013) DOI: 10.1002/prot.24269) to properly include proline, preproline residues and backbone rigidity. Starting from random configurations, the model properly folds 19 proteins (including a mutant 2A3D sequence) into native states containing β sheet, α helix, and mixed α/β. As a further test, the stability of H-RAS (a 169 residue protein, critical in many signaling pathways) is investigated: The protein is stable, with excellent agreement with experimental B-factors. Despite that proteins containing only α helices fold to their native state at lower backbone rigidity, and other limitations, which we discuss thoroughly, the model provides a reliable description of the dynamics as compared with all atom simulations, but does not constrain secondary structures as it is typically the case in more coarse-grained models. Further implications are described. Copyright © 2013 Wiley Periodicals, Inc.

Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.

PubMed

Genheden, Samuel

2017-10-01

We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models

NASA Astrophysics Data System (ADS)

Genheden, Samuel

2017-10-01

We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

Spatial models reveal the microclimatic buffering capacity of old-growth forests

Treesearch

Sarah J. K. Frey; Adam S. Hadley; Sherri L. Johnson; Mark Schulze; Julia A. Jones; Matthew. G. Betts

2016-01-01

Climate change is predicted to cause widespread declines in biodiversity, but these predictions are derived from coarse-resolution climate models applied at global scales. Such models lack the capacity to incorporate microclimate variability, which is critical to biodiversity microrefugia. In forested montane regions, microclimate is thought to be influenced by...

Comparing large-scale hydrological model predictions with observed streamflow in the Pacific Northwest: effects of climate and groundwater

Treesearch

Mohammad Safeeq; Guillaume S. Mauger; Gordon E. Grant; Ivan Arismendi; Alan F. Hamlet; Se-Yeun Lee

2014-01-01

Assessing uncertainties in hydrologic models can improve accuracy in predicting future streamflow. Here, simulated streamflows using the Variable Infiltration Capacity (VIC) model at coarse (1/16°) and fine (1/120°) spatial resolutions were evaluated against observed streamflows from 217 watersheds. In...

The Impact of Spatial and Temporal Resolutions in Tropical Summer Rainfall Distribution: Preliminary Results

NASA Astrophysics Data System (ADS)

Liu, Q.; Chiu, L. S.; Hao, X.

2017-10-01

The abundance or lack of rainfall affects peoples' life and activities. As a major component of the global hydrological cycle (Chokngamwong & Chiu, 2007), accurate representations at various spatial and temporal scales are crucial for a lot of decision making processes. Climate models show a warmer and wetter climate due to increases of Greenhouse Gases (GHG). However, the models' resolutions are often too coarse to be directly applicable to local scales that are useful for mitigation purposes. Hence disaggregation (downscaling) procedures are needed to transfer the coarse scale products to higher spatial and temporal resolutions. The aim of this paper is to examine the changes in the statistical parameters of rainfall at various spatial and temporal resolutions. The TRMM Multi-satellite Precipitation Analysis (TMPA) at 0.25 degree, 3 hourly grid rainfall data for a summer is aggregated to 0.5,1.0, 2.0 and 2.5 degree and at 6, 12, 24 hourly, pentad (five days) and monthly resolutions. The probability distributions (PDF) and cumulative distribution functions(CDF) of rain amount at these resolutions are computed and modeled as a mixed distribution. Parameters of the PDFs are compared using the Kolmogrov-Smironov (KS) test, both for the mixed and the marginal distribution. These distributions are shown to be distinct. The marginal distributions are fitted with Lognormal and Gamma distributions and it is found that the Gamma distributions fit much better than the Lognormal.

Exploration of scaling effects on coarse resolution land surface phenology

USDA-ARS?s Scientific Manuscript database

A great number of land surface phenoloy (LSP) data have been produced from various coarse resolution satellite datasets and detection algorithms across regional and global scales. Unlike field- measured phenological events which are quantitatively defined with clear biophysical meaning, current LSP ...

Mapping pre-European settlement vegetation at fine resolutions using a hierarchical Bayesian model and GIS

Treesearch

Hong S. He; Daniel C. Dey; Xiuli Fan; Mevin B. Hooten; John M. Kabrick; Christopher K. Wikle; Zhaofei. Fan

2007-01-01

In the Midwestern United States, the GeneralLandOffice (GLO) survey records provide the only reasonably accurate data source of forest composition and tree species distribution at the time of pre-European settlement (circa late 1800 to early 1850). However, GLO data have two fundamental limitations: coarse spatial resolutions (the square mile section and half mile...

Can dynamically downscaled climate model outputs improve pojections of extreme precipitation events?

EPA Science Inventory

Many of the storms that generate damaging floods are caused by locally intense, sub-daily precipitation, yet the spatial and temporal resolution of the most widely available climate model outputs are both too coarse to simulate these events. Thus there is often a disconnect betwe...

Spatially enhanced passive microwave derived soil moisture: capabilities and opportunities

USDA-ARS?s Scientific Manuscript database

Low frequency passive microwave remote sensing is a proven technique for soil moisture retrieval, but its coarse resolution restricts the range of applications. Downscaling, otherwise known as disaggregation, has been proposed as the solution to spatially enhance these coarse resolution soil moistur...

Evaluation of coarse scale land surface remote sensing albedo product over rugged terrain

NASA Astrophysics Data System (ADS)

Wen, J.; Xinwen, L.; You, D.; Dou, B.

2017-12-01

Satellite derived Land surface albedo is an essential climate variable which controls the earth energy budget and it can be used in applications such as climate change, hydrology, and numerical weather prediction. The accuracy and uncertainty of surface albedo products should be evaluated with a reliable reference truth data prior to applications. And more literatures investigated the validation methods about the albedo validation in a flat or homogenous surface. However, the albedo performance over rugged terrain is still unknow due to the validation method limited. A multi-validation strategy is implemented to give a comprehensive albedo validation, which will involve the high resolution albedo processing, high resolution albedo validation based on in situ albedo, and the method to upscale the high resolution albedo to a coarse scale albedo. Among them, the high resolution albedo generation and the upscale method is the core step for the coarse scale albedo validation. In this paper, the high resolution albedo is generated by Angular Bin algorithm. And a albedo upscale method over rugged terrain is developed to obtain the coarse scale albedo truth. The in situ albedo located 40 sites in mountain area are selected globally to validate the high resolution albedo, and then upscaled to the coarse scale albedo by the upscale method. This paper takes MODIS and GLASS albedo product as a example, and the prelimarily results show the RMSE of MODIS and GLASS albedo product over rugged terrain are 0.047 and 0.057, respectively under the RMSE with 0.036 of high resolution albedo.

Impacts of precipitation and potential evapotranspiration patterns on downscaling soil moisture in regions with large topographic relief

NASA Astrophysics Data System (ADS)

Cowley, Garret S.; Niemann, Jeffrey D.; Green, Timothy R.; Seyfried, Mark S.; Jones, Andrew S.; Grazaitis, Peter J.

2017-02-01

Soil moisture can be estimated at coarse resolutions (>1 km) using satellite remote sensing, but that resolution is poorly suited for many applications. The Equilibrium Moisture from Topography, Vegetation, and Soil (EMT+VS) model downscales coarse-resolution soil moisture using fine-resolution topographic, vegetation, and soil data to produce fine-resolution (10-30 m) estimates of soil moisture. The EMT+VS model performs well at catchments with low topographic relief (≤124 m), but it has not been applied to regions with larger ranges of elevation. Large relief can produce substantial variations in precipitation and potential evapotranspiration (PET), which might affect the fine-resolution patterns of soil moisture. In this research, simple methods to downscale temporal average precipitation and PET are developed and included in the EMT+VS model, and the effects of spatial variations in these variables on the surface soil moisture estimates are investigated. The methods are tested against ground truth data at the 239 km2 Reynolds Creek watershed in southern Idaho, which has 1145 m of relief. The precipitation and PET downscaling methods are able to capture the main features in the spatial patterns of both variables. The space-time Nash-Sutcliffe coefficients of efficiency of the fine-resolution soil moisture estimates improve from 0.33 to 0.36 and 0.41 when the precipitation and PET downscaling methods are included, respectively. PET downscaling provides a larger improvement in the soil moisture estimates than precipitation downscaling likely because the PET pattern is more persistent through time, and thus more predictable, than the precipitation pattern.

Non-Markovian closure models for large eddy simulations using the Mori-Zwanzig formalism

NASA Astrophysics Data System (ADS)

Parish, Eric J.; Duraisamy, Karthik

2017-01-01

This work uses the Mori-Zwanzig (M-Z) formalism, a concept originating from nonequilibrium statistical mechanics, as a basis for the development of coarse-grained models of turbulence. The mechanics of the generalized Langevin equation (GLE) are considered, and insight gained from the orthogonal dynamics equation is used as a starting point for model development. A class of subgrid models is considered which represent nonlocal behavior via a finite memory approximation [Stinis, arXiv:1211.4285 (2012)], the length of which is determined using a heuristic that is related to the spectral radius of the Jacobian of the resolved variables. The resulting models are intimately tied to the underlying numerical resolution and are capable of approximating non-Markovian effects. Numerical experiments on the Burgers equation demonstrate that the M-Z-based models can accurately predict the temporal evolution of the total kinetic energy and the total dissipation rate at varying mesh resolutions. The trajectory of each resolved mode in phase space is accurately predicted for cases where the coarse graining is moderate. Large eddy simulations (LESs) of homogeneous isotropic turbulence and the Taylor-Green Vortex show that the M-Z-based models are able to provide excellent predictions, accurately capturing the subgrid contribution to energy transfer. Last, LESs of fully developed channel flow demonstrate the applicability of M-Z-based models to nondecaying problems. It is notable that the form of the closure is not imposed by the modeler, but is rather derived from the mathematics of the coarse graining, highlighting the potential of M-Z-based techniques to define LES closures.

Model comparisons of the reactive burn model SURF in three ASC codes

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

Whitley, Von Howard; Stalsberg, Krista Lynn; Reichelt, Benjamin Lee

A study of the SURF reactive burn model was performed in FLAG, PAGOSA and XRAGE. In this study, three different shock-to-detonation transition experiments were modeled in each code. All three codes produced similar model results for all the experiments modeled and at all resolutions. Buildup-to-detonation time, particle velocities and resolution dependence of the models was notably similar between the codes. Given the current PBX 9502 equations of state and SURF calibrations, each code is equally capable of predicting the correct detonation time and distance when impacted by a 1D impactor at pressures ranging from 10-16 GPa, as long as themore » resolution of the mesh is not too coarse.« less

Area-to-point regression kriging for pan-sharpening

NASA Astrophysics Data System (ADS)

Wang, Qunming; Shi, Wenzhong; Atkinson, Peter M.

2016-04-01

Pan-sharpening is a technique to combine the fine spatial resolution panchromatic (PAN) band with the coarse spatial resolution multispectral bands of the same satellite to create a fine spatial resolution multispectral image. In this paper, area-to-point regression kriging (ATPRK) is proposed for pan-sharpening. ATPRK considers the PAN band as the covariate. Moreover, ATPRK is extended with a local approach, called adaptive ATPRK (AATPRK), which fits a regression model using a local, non-stationary scheme such that the regression coefficients change across the image. The two geostatistical approaches, ATPRK and AATPRK, were compared to the 13 state-of-the-art pan-sharpening approaches summarized in Vivone et al. (2015) in experiments on three separate datasets. ATPRK and AATPRK produced more accurate pan-sharpened images than the 13 benchmark algorithms in all three experiments. Unlike the benchmark algorithms, the two geostatistical solutions precisely preserved the spectral properties of the original coarse data. Furthermore, ATPRK can be enhanced by a local scheme in AATRPK, in cases where the residuals from a global regression model are such that their spatial character varies locally.

Identifying grain-size dependent errors on global forest area estimates and carbon studies

Treesearch

Daolan Zheng; Linda S. Heath; Mark J. Ducey

2008-01-01

Satellite-derived coarse-resolution data are typically used for conducting global analyses. But the forest areas estimated from coarse-resolution maps (e.g., 1 km) inevitably differ from a corresponding fine-resolution map (such as a 30-m map) that would be closer to ground truth. A better understanding of changes in grain size on area estimation will improve our...

CAMELOT: A machine learning approach for coarse-grained simulations of aggregation of block-copolymeric protein sequences

PubMed Central

Ruff, Kiersten M.; Harmon, Tyler S.; Pappu, Rohit V.

2015-01-01

We report the development and deployment of a coarse-graining method that is well suited for computer simulations of aggregation and phase separation of protein sequences with block-copolymeric architectures. Our algorithm, named CAMELOT for Coarse-grained simulations Aided by MachinE Learning Optimization and Training, leverages information from converged all atom simulations that is used to determine a suitable resolution and parameterize the coarse-grained model. To parameterize a system-specific coarse-grained model, we use a combination of Boltzmann inversion, non-linear regression, and a Gaussian process Bayesian optimization approach. The accuracy of the coarse-grained model is demonstrated through direct comparisons to results from all atom simulations. We demonstrate the utility of our coarse-graining approach using the block-copolymeric sequence from the exon 1 encoded sequence of the huntingtin protein. This sequence comprises of 17 residues from the N-terminal end of huntingtin (N17) followed by a polyglutamine (polyQ) tract. Simulations based on the CAMELOT approach are used to show that the adsorption and unfolding of the wild type N17 and its sequence variants on the surface of polyQ tracts engender a patchy colloid like architecture that promotes the formation of linear aggregates. These results provide a plausible explanation for experimental observations, which show that N17 accelerates the formation of linear aggregates in block-copolymeric N17-polyQ sequences. The CAMELOT approach is versatile and is generalizable for simulating the aggregation and phase behavior of a range of block-copolymeric protein sequences. PMID:26723608

Comparison of digital elevation models for aquatic data development.

Treesearch

Sharon Clarke; Kelly Burnett

2003-01-01

Thirty-meter digital elevation models (DEMs) produced by the U.S. Geological Survey (USGS) are widely available and commonly used in analyzing aquatic systems. However, these DEMs are of relatively coarse resolution, were inconsistently produced (i.e., Level 1 versus Level 2 DEMs), and lack drainage enforcement. Such issues may hamper efforts to accurately model...

Verification of sub-grid filtered drag models for gas-particle fluidized beds with immersed cylinder arrays

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

Sarkar, Avik; Sun, Xin; Sundaresan, Sankaran

2014-04-23

The accuracy of coarse-grid multiphase CFD simulations of fluidized beds may be improved via the inclusion of filtered constitutive models. In our previous study (Sarkar et al., Chem. Eng. Sci., 104, 399-412), we developed such a set of filtered drag relationships for beds with immersed arrays of cooling tubes. Verification of these filtered drag models is addressed in this work. Predictions from coarse-grid simulations with the sub-grid filtered corrections are compared against accurate, highly-resolved simulations of full-scale turbulent and bubbling fluidized beds. The filtered drag models offer a computationally efficient yet accurate alternative for obtaining macroscopic predictions, but the spatialmore » resolution of meso-scale clustering heterogeneities is sacrificed.« less

Application of a Nested Modeling Approach Using the Precipitation Runoff Modeling System in the Apalachicola-Chattahoochee-Flint River Basin in the Southeastern USA

NASA Astrophysics Data System (ADS)

Lafontaine, J.; Hay, L.; Viger, R.; Markstrom, S. L.

2010-12-01

In order to help environmental resource managers assess potential effects of climate change on ecosystems, the Southeast Regional Assessment Project (SERAP) began in 2009. One component of the SERAP is development and calibration of a set of multi-resolution hydrologic models of the Apalachicola-Chattahoochee-Flint (ACF) River Basin. The ACF River Basin is home to multiple fish and wildlife species of conservation concern, is regionally important for water supply, and has been a recent focus of complementary environmental and climate-change research. Hydrologic models of varying spatial extents and resolutions are required to address varied local to regional water-resource management questions as required by the scope and limits of potential management actions. These models were developed using the U.S. Geological Survey (USGS) Precipitation Runoff Modeling System (PRMS). The coarse-resolution model for the ACF Basin has a contributing area of approximately 19,200 mi2 with the model outlet located at the USGS streamflow gage on the Apalachicola River near Sumatra, Florida. Six fine-resolution PRMS models ranging in size from 153 mi2 to 1,040 mi2 are nested within the coarse-scale model, and have been developed for the following basins: upper Chattahoochee, Chestatee, and Chipola Rivers, Ichawaynochaway, Potato, and Spring Creeks. All of the models simulate basin hydrology using a daily time-step, measured climate data, and basin characteristics such as land cover and topography. Measured streamflow data are used to calibrate and evaluate computed basin hydrology. Land cover projections will be used in conjunction with downscaled Global Climate Model results to project future hydrologic conditions for this set of models.

Climate Change Impact Assessment of Hydro-Climate in Southern Peninsular Malaysia

NASA Astrophysics Data System (ADS)

Ercan, A.; Ishida, K.; Kavvas, M. L.; Chen, Z. R.; Jang, S.; Amin, M. Z. M.; Shaaban, A. J.

2017-12-01

Impacts of climate change on the hydroclimate of the coastal region in the south of Peninsular Malaysia in the 21st century was assessed by means of a regional climate model utilizing an ensemble of 15 different future climate realizations. Coarse resolution Global Climate Models' future projections covering four emission scenarios based on Coupled Model Intercomparison Project phase 3 (CMIP3) datasets were dynamically downscaled to 6 km resolution over the study area. The analyses were made in terms of rainfall, air temperature, evapotranporation, and soil water storage.

Coarse Graining to Investigate Membrane Induced Peptide Folding of Anticancer Peptides

NASA Astrophysics Data System (ADS)

Ganesan, Sai; Xu, Hongcheng; Matysiak, Silvina

Information about membrane induced peptide folding mechanisms using all-atom molecular dynamics simulations is a challenge due to time and length scale issues.We recently developed a low resolution Water Explicit Polarizable PROtein coarse-grained Model by adding oppositely charged dummy particles inside protein backbone beads.These two dummy particles represent a fluctuating dipole,thus introducing structural polarization into the coarse-grained model.With this model,we were able to achieve significant α- β secondary structure content de novo,without any added bias.We extended the model to zwitterionic and anionic lipids,by adding oppositely charged dummy particles inside polar beads, to capture the ability of the head group region to form hydrogen bonds.We use zwitterionic POPC and anionic POPS as our model lipids, and a cationic anticancer peptide,SVS1,as our model peptide.We have characterized the driving forces for SVS1 folding on lipid bilayers with varying anionic and zwitterionic lipid compositions.Based on our results, dipolar interactions between peptide backbone and lipid head groups contribute to stabilize folded conformations.Cooperativity in folding is induced by both intra peptide and membrane-peptide interaction.

Effects of vegetation heterogeneity and surface topography on spatial scaling of net primary productivity

NASA Astrophysics Data System (ADS)

Chen, J. M.; Chen, X.; Ju, W.

2013-03-01

Due to the heterogeneous nature of the land surface, spatial scaling is an inevitable issue in the development of land models coupled with low-resolution Earth system models (ESMs) for predicting land-atmosphere interactions and carbon-climate feedbacks. In this study, a simple spatial scaling algorithm is developed to correct errors in net primary productivity (NPP) estimates made at a coarse spatial resolution based on sub-pixel information of vegetation heterogeneity and surface topography. An eco-hydrological model BEPS-TerrainLab, which considers both vegetation and topographical effects on the vertical and lateral water flows and the carbon cycle, is used to simulate NPP at 30 m and 1 km resolutions for a 5700 km2 watershed with an elevation range from 518 m to 3767 m in the Qinling Mountain, Shaanxi Province, China. Assuming that the NPP simulated at 30 m resolution represents the reality and that at 1 km resolution is subject to errors due to sub-pixel heterogeneity, a spatial scaling index (SSI) is developed to correct the coarse resolution NPP values pixel by pixel. The agreement between the NPP values at these two resolutions is improved considerably from R2 = 0.782 to R2 = 0.884 after the correction. The mean bias error (MBE) in NPP modeled at the 1 km resolution is reduced from 14.8 g C m-2 yr-1 to 4.8 g C m-2 yr-1 in comparison with NPP modeled at 30 m resolution, where the mean NPP is 668 g C m-2 yr-1. The range of spatial variations of NPP at 30 m resolution is larger than that at 1 km resolution. Land cover fraction is the most important vegetation factor to be considered in NPP spatial scaling, and slope is the most important topographical factor for NPP spatial scaling especially in mountainous areas, because of its influence on the lateral water redistribution, affecting water table, soil moisture and plant growth. Other factors including leaf area index (LAI), elevation and aspect have small and additive effects on improving the spatial scaling between these two resolutions.

Effects of vegetation heterogeneity and surface topography on spatial scaling of net primary productivity

NASA Astrophysics Data System (ADS)

Chen, J. M.; Chen, X.; Ju, W.

2013-07-01

Due to the heterogeneous nature of the land surface, spatial scaling is an inevitable issue in the development of land models coupled with low-resolution Earth system models (ESMs) for predicting land-atmosphere interactions and carbon-climate feedbacks. In this study, a simple spatial scaling algorithm is developed to correct errors in net primary productivity (NPP) estimates made at a coarse spatial resolution based on sub-pixel information of vegetation heterogeneity and surface topography. An eco-hydrological model BEPS-TerrainLab, which considers both vegetation and topographical effects on the vertical and lateral water flows and the carbon cycle, is used to simulate NPP at 30 m and 1 km resolutions for a 5700 km2 watershed with an elevation range from 518 m to 3767 m in the Qinling Mountain, Shanxi Province, China. Assuming that the NPP simulated at 30 m resolution represents the reality and that at 1 km resolution is subject to errors due to sub-pixel heterogeneity, a spatial scaling index (SSI) is developed to correct the coarse resolution NPP values pixel by pixel. The agreement between the NPP values at these two resolutions is improved considerably from R2 = 0.782 to R2 = 0.884 after the correction. The mean bias error (MBE) in NPP modelled at the 1 km resolution is reduced from 14.8 g C m-2 yr-1 to 4.8 g C m-2 yr-1 in comparison with NPP modelled at 30 m resolution, where the mean NPP is 668 g C m-2 yr-1. The range of spatial variations of NPP at 30 m resolution is larger than that at 1 km resolution. Land cover fraction is the most important vegetation factor to be considered in NPP spatial scaling, and slope is the most important topographical factor for NPP spatial scaling especially in mountainous areas, because of its influence on the lateral water redistribution, affecting water table, soil moisture and plant growth. Other factors including leaf area index (LAI) and elevation have small and additive effects on improving the spatial scaling between these two resolutions.

Subranging technique using superconducting technology

DOEpatents

Gupta, Deepnarayan

2003-01-01

Subranging techniques using "digital SQUIDs" are used to design systems with large dynamic range, high resolution and large bandwidth. Analog-to-digital converters (ADCs) embodying the invention include a first SQUID based "coarse" resolution circuit and a second SQUID based "fine" resolution circuit to convert an analog input signal into "coarse" and "fine" digital signals for subsequent processing. In one embodiment, an ADC includes circuitry for supplying an analog input signal to an input coil having at least a first inductive section and a second inductive section. A first superconducting quantum interference device (SQUID) is coupled to the first inductive section and a second SQUID is coupled to the second inductive section. The first SQUID is designed to produce "coarse" (large amplitude, low resolution) output signals and the second SQUID is designed to produce "fine" (low amplitude, high resolution) output signals in response to the analog input signals.

GPCC - A weather generator-based statistical downscaling tool for site-specific assessment of climate change impacts

USDA-ARS?s Scientific Manuscript database

Resolution of climate model outputs are too coarse to be used as direct inputs to impact models for assessing climate change impacts on agricultural production, water resources, and eco-system services at local or site-specific scales. Statistical downscaling approaches are usually used to bridge th...

Mapping Forest Fuels through Vegetation Phenology: The Role of Coarse-Resolution Satellite Time-Series

PubMed Central

Bajocco, Sofia; Dragoz, Eleni; Gitas, Ioannis; Smiraglia, Daniela; Salvati, Luca; Ricotta, Carlo

2015-01-01

Traditionally fuel maps are built in terms of ‘fuel types’, thus considering the structural characteristics of vegetation only. The aim of this work is to derive a phenological fuel map based on the functional attributes of coarse-scale vegetation phenology, such as seasonality and productivity. MODIS NDVI 250m images of Sardinia (Italy), a large Mediterranean island with high frequency of fire incidence, were acquired for the period 2000–2012 to construct a mean annual NDVI profile of the vegetation at the pixel-level. Next, the following procedure was used to develop the phenological fuel map: (i) image segmentation on the Fourier components of the NDVI profiles to identify phenologically homogeneous landscape units, (ii) cluster analysis of the phenological units and post-hoc analysis of the fire-proneness of the phenological fuel classes (PFCs) obtained, (iii) environmental characterization (in terms of land cover and climate) of the PFCs. Our results showed the ability of coarse-resolution satellite time-series to characterize the fire-proneness of Sardinia with an adequate level of accuracy. The remotely sensed phenological framework presented may represent a suitable basis for the development of fire distribution prediction models, coarse-scale fuel maps and for various biogeographic studies. PMID:25822505

Image resolution enhancement via image restoration using neural network

NASA Astrophysics Data System (ADS)

Zhang, Shuangteng; Lu, Yihong

2011-04-01

Image super-resolution aims to obtain a high-quality image at a resolution that is higher than that of the original coarse one. This paper presents a new neural network-based method for image super-resolution. In this technique, the super-resolution is considered as an inverse problem. An observation model that closely follows the physical image acquisition process is established to solve the problem. Based on this model, a cost function is created and minimized by a Hopfield neural network to produce high-resolution images from the corresponding low-resolution ones. Not like some other single frame super-resolution techniques, this technique takes into consideration point spread function blurring as well as additive noise and therefore generates high-resolution images with more preserved or restored image details. Experimental results demonstrate that the high-resolution images obtained by this technique have a very high quality in terms of PSNR and visually look more pleasant.

Coarse-to-fine construction for high-resolution representation in visual working memory.

PubMed

Gao, Zaifeng; Ding, Xiaowei; Yang, Tong; Liang, Junying; Shui, Rende

2013-01-01

This study explored whether the high-resolution representations created by visual working memory (VWM) are constructed in a coarse-to-fine or all-or-none manner. The coarse-to-fine hypothesis suggests that coarse information precedes detailed information in entering VWM and that its resolution increases along with the processing time of the memory array, whereas the all-or-none hypothesis claims that either both enter into VWM simultaneously, or neither does. We tested the two hypotheses by asking participants to remember two or four complex objects. An ERP component, contralateral delay activity (CDA), was used as the neural marker. CDA is higher for four objects than for two objects when coarse information is primarily extracted; yet, this CDA difference vanishes when detailed information is encoded. Experiment 1 manipulated the comparison difficulty of the task under a 500-ms exposure time to determine a condition in which the detailed information was maintained. No CDA difference was found between two and four objects, even in an easy-comparison condition. Thus, Experiment 2 manipulated the memory array's exposure time under the easy-comparison condition and found a significant CDA difference at 100 ms while replicating Experiment 1's results at 500 ms. In Experiment 3, the 500-ms memory array was blurred to block the detailed information; this manipulation reestablished a significant CDA difference. These findings suggest that the creation of high-resolution representations in VWM is a coarse-to-fine process.

Simulation of Deep Convective Clouds with the Dynamic Reconstruction Turbulence Closure

NASA Astrophysics Data System (ADS)

Shi, X.; Chow, F. K.; Street, R. L.; Bryan, G. H.

2017-12-01

The terra incognita (TI), or gray zone, in simulations is a range of grid spacing comparable to the most energetic eddy diameter. Spacing in mesoscale and simulations is much larger than the eddies, and turbulence is parameterized with one-dimensional vertical-mixing. Large eddy simulations (LES) have grid spacing much smaller than the energetic eddies, and use three-dimensional models of turbulence. Studies of convective weather use convection-permitting resolutions, which are in the TI. Neither mesoscale-turbulence nor LES models are designed for the TI, so TI turbulence parameterization needs to be discussed. Here, the effects of sub-filter scale (SFS) closure schemes on the simulation of deep tropical convection are evaluated by comparing three closures, i.e. Smagorinsky model, Deardorff-type TKE model and the dynamic reconstruction model (DRM), which partitions SFS turbulence into resolvable sub-filter scales (RSFS) and unresolved sub-grid scales (SGS). The RSFS are reconstructed, and the SGS are modeled with a dynamic eddy viscosity/diffusivity model. The RSFS stresses/fluxes allow backscatter of energy/variance via counter-gradient stresses/fluxes. In high-resolution (100m) simulations of tropical convection use of these turbulence models did not lead to significant differences in cloud water/ice distribution, precipitation flux, or vertical fluxes of momentum and heat. When model resolutions are coarsened, the Smagorinsky and TKE models overestimate cloud ice and produces large-amplitude downward heat flux in the middle troposphere (not found in the high-resolution simulations). This error is a result of unrealistically large eddy diffusivities, i.e., the eddy diffusivity of the DRM is on the order of 1 for the coarse resolution simulations, the eddy diffusivity of the Smagorinsky and TKE model is on the order of 100. Splitting the eddy viscosity/diffusivity scalars into vertical and horizontal components by using different length scales and strain rate components helps to reduce the errors, but does not completely remedy the problem. In contrast, the coarse resolution simulations using the DRM produce results that are more consistent with the high-resolution results, suggesting that the DRM is a more appropriate turbulence model for simulating convection in the TI.

Data for Figures and Tables in Journal Article Assessment of the Effects of Horizontal Grid Resolution on Long-Term Air Quality Trends using Coupled WRF-CMAQ Simulations, doi:10.1016/j.atmosenv.2016.02.036

EPA Pesticide Factsheets

The dataset represents the data depicted in the Figures and Tables of a Journal Manuscript with the following abstract: The objective of this study is to determine the adequacy of using a relatively coarse horizontal resolution (i.e. 36 km) to simulate long-term trends of pollutant concentrations and radiation variables with the coupled WRF-CMAQ model. WRF-CMAQ simulations over the continental United State are performed over the 2001 to 2010 time period at two different horizontal resolutions of 12 and 36 km. Both simulations used the same emission inventory and model configurations. Model results are compared both in space and time to assess the potential weaknesses and strengths of using coarse resolution in long-term air quality applications. The results show that the 36 km and 12 km simulations are comparable in terms of trends analysis for both pollutant concentrations and radiation variables. The advantage of using the coarser 36 km resolution is a significant reduction of computational cost, time and storage requirement which are key considerations when performing multiple years of simulations for trend analysis. However, if such simulations are to be used for local air quality analysis, finer horizontal resolution may be beneficial since it can provide information on local gradients. In particular, divergences between the two simulations are noticeable in urban, complex terrain and coastal regions.This dataset is associated with the following publication

Impact of high resolution land surface initialization in Indian summer monsoon simulation using a regional climate model

NASA Astrophysics Data System (ADS)

Unnikrishnan, C. K.; Rajeevan, M.; Rao, S. Vijaya Bhaskara

2016-06-01

The direct impact of high resolution land surface initialization on the forecast bias in a regional climate model in recent years over Indian summer monsoon region is investigated. Two sets of regional climate model simulations are performed, one with a coarse resolution land surface initial conditions and second one used a high resolution land surface data for initial condition. The results show that all monsoon years respond differently to the high resolution land surface initialization. The drought monsoon year 2009 and extended break periods were more sensitive to the high resolution land surface initialization. These results suggest that the drought monsoon year predictions can be improved with high resolution land surface initialization. Result also shows that there are differences in the response to the land surface initialization within the monsoon season. Case studies of heat wave and a monsoon depression simulation show that, the model biases were also improved with high resolution land surface initialization. These results show the need for a better land surface initialization strategy in high resolution regional models for monsoon forecasting.

An Evaluation of Recently Developed RANS-Based Turbulence Models for Flow Over a Two-Dimensional Block Subjected to Different Mesh Structures and Grid Resolutions

NASA Astrophysics Data System (ADS)

Kardan, Farshid; Cheng, Wai-Chi; Baverel, Olivier; Porté-Agel, Fernando

2016-04-01

Understanding, analyzing and predicting meteorological phenomena related to urban planning and built environment are becoming more essential than ever to architectural and urban projects. Recently, various version of RANS models have been established but more validation cases are required to confirm their capability for wind flows. In the present study, the performance of recently developed RANS models, including the RNG k-ɛ , SST BSL k-ω and SST ⪆mma-Reθ , have been evaluated for the flow past a single block (which represent the idealized architecture scale). For validation purposes, the velocity streamlines and the vertical profiles of the mean velocities and variances were compared with published LES and wind tunnel experiment results. Furthermore, other additional CFD simulations were performed to analyze the impact of regular/irregular mesh structures and grid resolutions based on selected turbulence model in order to analyze the grid independency. Three different grid resolutions (coarse, medium and fine) of Nx × Ny × Nz = 320 × 80 × 320, 160 × 40 × 160 and 80 × 20 × 80 for the computational domain and nx × nz = 26 × 32, 13 × 16 and 6 × 8, which correspond to number of grid points on the block edges, were chosen and tested. It can be concluded that among all simulated RANS models, the SST ⪆mma-Reθ model performed best and agreed fairly well to the LES simulation and experimental results. It can also be concluded that the SST ⪆mma-Reθ model provides a very satisfactory results in terms of grid dependency in the fine and medium grid resolutions in both regular and irregular structure meshes. On the other hand, despite a very good performance of the RNG k-ɛ model in the fine resolution and in the regular structure grids, a disappointing performance of this model in the coarse and medium grid resolutions indicates that the RNG k-ɛ model is highly dependent on grid structure and grid resolution. These quantitative validations are essential to access the accuracy of RANS models for the simulation of flow in urban environment.

A Comparison of Coarse-Grained and Continuum Models for Membrane Bending in Lipid Bilayer Fusion Pores

PubMed Central

Yoo, Jejoong; Jackson, Meyer B.; Cui, Qiang

2013-01-01

To establish the validity of continuum mechanics models quantitatively for the analysis of membrane remodeling processes, we compare the shape and energies of the membrane fusion pore predicted by coarse-grained (MARTINI) and continuum mechanics models. The results at these distinct levels of resolution give surprisingly consistent descriptions for the shape of the fusion pore, and the deviation between the continuum and coarse-grained models becomes notable only when the radius of curvature approaches the thickness of a monolayer. Although slow relaxation beyond microseconds is observed in different perturbative simulations, the key structural features (e.g., dimension and shape of the fusion pore near the pore center) are consistent among independent simulations. These observations provide solid support for the use of coarse-grained and continuum models in the analysis of membrane remodeling. The combined coarse-grained and continuum analysis confirms the recent prediction of continuum models that the fusion pore is a metastable structure and that its optimal shape is neither toroidal nor catenoidal. Moreover, our results help reveal a new, to our knowledge, bowing feature in which the bilayers close to the pore axis separate more from one another than those at greater distances from the pore axis; bowing helps reduce the curvature and therefore stabilizes the fusion pore structure. The spread of the bilayer deformations over distances of hundreds of nanometers and the substantial reduction in energy of fusion pore formation provided by this spread indicate that membrane fusion can be enhanced by allowing a larger area of membrane to participate and be deformed. PMID:23442963

Spatial Variability in Column CO2 Inferred from High Resolution GEOS-5 Global Model Simulations: Implications for Remote Sensing and Inversions

NASA Technical Reports Server (NTRS)

Ott, L.; Putman, B.; Collatz, J.; Gregg, W.

2012-01-01

Column CO2 observations from current and future remote sensing missions represent a major advancement in our understanding of the carbon cycle and are expected to help constrain source and sink distributions. However, data assimilation and inversion methods are challenged by the difference in scale of models and observations. OCO-2 footprints represent an area of several square kilometers while NASA s future ASCENDS lidar mission is likely to have an even smaller footprint. In contrast, the resolution of models used in global inversions are typically hundreds of kilometers wide and often cover areas that include combinations of land, ocean and coastal areas and areas of significant topographic, land cover, and population density variations. To improve understanding of scales of atmospheric CO2 variability and representativeness of satellite observations, we will present results from a global, 10-km simulation of meteorology and atmospheric CO2 distributions performed using NASA s GEOS-5 general circulation model. This resolution, typical of mesoscale atmospheric models, represents an order of magnitude increase in resolution over typical global simulations of atmospheric composition allowing new insight into small scale CO2 variations across a wide range of surface flux and meteorological conditions. The simulation includes high resolution flux datasets provided by NASA s Carbon Monitoring System Flux Pilot Project at half degree resolution that have been down-scaled to 10-km using remote sensing datasets. Probability distribution functions are calculated over larger areas more typical of global models (100-400 km) to characterize subgrid-scale variability in these models. Particular emphasis is placed on coastal regions and regions containing megacities and fires to evaluate the ability of coarse resolution models to represent these small scale features. Additionally, model output are sampled using averaging kernels characteristic of OCO-2 and ASCENDS measurement concepts to create realistic pseudo-datasets. Pseudo-data are averaged over coarse model grid cell areas to better understand the ability of measurements to characterize CO2 distributions and spatial gradients on both short (daily to weekly) and long (monthly to seasonal) time scales

Lagrangian Timescales of Southern Ocean Upwelling in a Hierarchy of Model Resolutions

NASA Astrophysics Data System (ADS)

Drake, Henri F.; Morrison, Adele K.; Griffies, Stephen M.; Sarmiento, Jorge L.; Weijer, Wilbert; Gray, Alison R.

2018-01-01

In this paper we study upwelling pathways and timescales of Circumpolar Deep Water (CDW) in a hierarchy of models using a Lagrangian particle tracking method. Lagrangian timescales of CDW upwelling decrease from 87 years to 31 years to 17 years as the ocean resolution is refined from 1° to 0.25° to 0.1°. We attribute some of the differences in timescale to the strength of the eddy fields, as demonstrated by temporally degrading high-resolution model velocity fields. Consistent with the timescale dependence, we find that an average Lagrangian particle completes 3.2 circumpolar loops in the 1° model in comparison to 0.9 loops in the 0.1° model. These differences suggest that advective timescales and thus interbasin merging of upwelling CDW may be overestimated by coarse-resolution models, potentially affecting the skill of centennial scale climate change projections.

Application of Geostatistical Simulation to Enhance Satellite Image Products

NASA Technical Reports Server (NTRS)

Hlavka, Christine A.; Dungan, Jennifer L.; Thirulanambi, Rajkumar; Roy, David

2004-01-01

With the deployment of Earth Observing System (EOS) satellites that provide daily, global imagery, there is increasing interest in defining the limitations of the data and derived products due to its coarse spatial resolution. Much of the detail, i.e. small fragments and notches in boundaries, is lost with coarse resolution imagery such as the EOS MODerate-Resolution Imaging Spectroradiometer (MODIS) data. Higher spatial resolution data such as the EOS Advanced Spaceborn Thermal Emission and Reflection Radiometer (ASTER), Landsat and airborne sensor imagery provide more detailed information but are less frequently available. There are, however, both theoretical and analytical evidence that burn scars and other fragmented types of land covers form self-similar or self-affine patterns, that is, patterns that look similar when viewed at widely differing spatial scales. Therefore small features of the patterns should be predictable, at least in a statistical sense, with knowledge about the large features. Recent developments in fractal modeling for characterizing the spatial distribution of undiscovered petroleum deposits are thus applicable to generating simulations of finer resolution satellite image products. We will present example EOS products, analysis to investigate self-similarity, and simulation results.

Two- and three-dimensional natural and mixed convection simulation using modular zonal models

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

Wurtz, E.; Nataf, J.M.; Winkelmann, F.

We demonstrate the use of the zonal model approach, which is a simplified method for calculating natural and mixed convection in rooms. Zonal models use a coarse grid and use balance equations, state equations, hydrostatic pressure drop equations and power law equations of the form {ital m} = {ital C}{Delta}{sup {ital n}}. The advantage of the zonal approach and its modular implementation are discussed. The zonal model resolution of nonlinear equation systems is demonstrated for three cases: a 2-D room, a 3-D room and a pair of 3-D rooms separated by a partition with an opening. A sensitivity analysis withmore » respect to physical parameters and grid coarseness is presented. Results are compared to computational fluid dynamics (CFD) calculations and experimental data.« less

Downscaling Global Land Cover Projections from an Integrated Assessment Model for Use in Regional Analyses: Results and Evaluation for the US from 2005 to 2095

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

West, Tristram O.; Le Page, Yannick LB; Huang, Maoyi

2014-06-05

Projections of land cover change generated from Integrated Assessment Models (IAM) and other economic-based models can be applied for analyses of environmental impacts at subregional and landscape scales. For those IAM and economic models that project land use at the sub-continental or regional scale, these projections must be downscaled and spatially distributed prior to use in climate or ecosystem models. Downscaling efforts to date have been conducted at the national extent with relatively high spatial resolution (30m) and at the global extent with relatively coarse spatial resolution (0.5 degree).

Modeling winter precipitation over the Juneau Icefield, Alaska, using a linear model of orographic precipitation

NASA Astrophysics Data System (ADS)

Roth, Aurora; Hock, Regine; Schuler, Thomas V.; Bieniek, Peter A.; Pelto, Mauri; Aschwanden, Andy

2018-03-01

Assessing and modeling precipitation in mountainous areas remains a major challenge in glacier mass balance modeling. Observations are typically scarce and reanalysis data and similar climate products are too coarse to accurately capture orographic effects. Here we use the linear theory of orographic precipitation model (LT model) to downscale winter precipitation from a regional climate model over the Juneau Icefield, one of the largest ice masses in North America (>4000 km2), for the period 1979-2013. The LT model is physically-based yet computationally efficient, combining airflow dynamics and simple cloud microphysics. The resulting 1 km resolution precipitation fields show substantially reduced precipitation on the northeastern portion of the icefield compared to the southwestern side, a pattern that is not well captured in the coarse resolution (20 km) WRF data. Net snow accumulation derived from the LT model precipitation agrees well with point observations across the icefield. To investigate the robustness of the LT model results, we perform a series of sensitivity experiments varying hydrometeor fall speeds, the horizontal resolution of the underlying grid, and the source of the meteorological forcing data. The resulting normalized spatial precipitation pattern is similar for all sensitivity experiments, but local precipitation amounts vary strongly, with greatest sensitivity to variations in snow fall speed. Results indicate that the LT model has great potential to provide improved spatial patterns of winter precipitation for glacier mass balance modeling purposes in complex terrain, but ground observations are necessary to constrain model parameters to match total amounts.

Transpacific Transport of Dust to North American High-Elevation Sites: Integrated Dataset and Model Outputs

NASA Astrophysics Data System (ADS)

Kassianov, E.; Pekour, M. S.; Flynn, C. J.; Berg, L. K.; Beranek, J.; Zelenyuk, A.; Zhao, C.; Leung, L. R.; Ma, P. L.; Riihimaki, L.; Fast, J. D.; Barnard, J.; Hallar, G. G.; McCubbin, I.; Eloranta, E. W.; McComiskey, A. C.; Rasch, P. J.

2017-12-01

Understanding the effects of dust on the regional and global climate requires detailed information on particle size distributions and their changes with distance from the source. Awareness is now growing about the tendency of the dust coarse mode with moderate ( 3.5 µm) volume median diameter (VMD) to be rather insensitive to complex removal processes associated with long-range transport of dust from the main sources. Our study, with a focus on the transpacific transport of dust, demonstrates that the impact of coarse mode aerosol (VMD 3µm) is well defined at the high-elevation mountain-top Storm Peak Laboratory (SPL, about 3.2 km MSL) and nearby Atmospheric Radiation Measurement (ARM) Climate Research Facility Mobile Facility (AMF) during March 2011. Significant amounts of coarse mode aerosol are also found at the nearest Aerosol Robotic Network (AERONET) site. Outputs from the high-resolution Weather Research and Forecasting (WRF) Model coupled with chemistry (WRF-Chem) show that the major dust event is likely associated with transpacific transport of Asian and African plumes. Satellite data, including the Moderate Resolution Imaging Spectroradiometer (MODIS) and Multiangle Imaging SpectroRadiometer (MISR) aerosol optical depth (AOD) and plume height from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) lidar data provide the observational support of the WRF-Chem simulations. Our study complements previous findings by indicating that the quasi-static nature of the coarse mode appears to be a reasonable approximation for Asian and African dust despite expected frequent orographic precipitation over mountainous regions in the western United States.

Efficient non-hydrostatic modelling of 3D wave-induced currents using a subgrid approach

NASA Astrophysics Data System (ADS)

Rijnsdorp, Dirk P.; Smit, Pieter B.; Zijlema, Marcel; Reniers, Ad J. H. M.

2017-08-01

Wave-induced currents are an ubiquitous feature in coastal waters that can spread material over the surf zone and the inner shelf. These currents are typically under resolved in non-hydrostatic wave-flow models due to computational constraints. Specifically, the low vertical resolutions adequate to describe the wave dynamics - and required to feasibly compute at the scales of a field site - are too coarse to account for the relevant details of the three-dimensional (3D) flow field. To describe the relevant dynamics of both wave and currents, while retaining a model framework that can be applied at field scales, we propose a two grid approach to solve the governing equations. With this approach, the vertical accelerations and non-hydrostatic pressures are resolved on a relatively coarse vertical grid (which is sufficient to accurately resolve the wave dynamics), whereas the horizontal velocities and turbulent stresses are resolved on a much finer subgrid (of which the resolution is dictated by the vertical scale of the mean flows). This approach ensures that the discrete pressure Poisson equation - the solution of which dominates the computational effort - is evaluated on the coarse grid scale, thereby greatly improving efficiency, while providing a fine vertical resolution to resolve the vertical variation of the mean flow. This work presents the general methodology, and discusses the numerical implementation in the SWASH wave-flow model. Model predictions are compared with observations of three flume experiments to demonstrate that the subgrid approach captures both the nearshore evolution of the waves, and the wave-induced flows like the undertow profile and longshore current. The accuracy of the subgrid predictions is comparable to fully resolved 3D simulations - but at much reduced computational costs. The findings of this work thereby demonstrate that the subgrid approach has the potential to make 3D non-hydrostatic simulations feasible at the scale of a realistic coastal region.

Using High Resolution Model Data to Improve Lightning Forecasts across Southern California

NASA Astrophysics Data System (ADS)

Capps, S. B.; Rolinski, T.

2014-12-01

Dry lightning often results in a significant amount of fire starts in areas where the vegetation is dry and continuous. Meteorologists from the USDA Forest Service Predictive Services' program in Riverside, California are tasked to provide southern and central California's fire agencies with fire potential outlooks. Logistic regression equations were developed by these meteorologists several years ago, which forecast probabilities of lightning as well as lightning amounts, out to seven days across southern California. These regression equations were developed using ten years of historical gridded data from the Global Forecast System (GFS) model on a coarse scale (0.5 degree resolution), correlated with historical lightning strike data. These equations do a reasonably good job of capturing a lightning episode (3-5 consecutive days or greater of lightning), but perform poorly regarding more detailed information such as exact location and amounts. It is postulated that the inadequacies in resolving the finer details of episodic lightning events is due to the coarse resolution of the GFS data, along with limited predictors. Stability parameters, such as the Lifted Index (LI), the Total Totals index (TT), Convective Available Potential Energy (CAPE), along with Precipitable Water (PW) are the only parameters being considered as predictors. It is hypothesized that the statistical forecasts will benefit from higher resolution data both in training and implementing the statistical model. We have dynamically downscaled NCEP FNL (Final) reanalysis data using the Weather Research and Forecasting model (WRF) to 3km spatial and hourly temporal resolution across a decade. This dataset will be used to evaluate the contribution to the success of the statistical model of additional predictors in higher vertical, spatial and temporal resolution. If successful, we will implement an operational dynamically downscaled GFS forecast product to generate predictors for the resulting statistical lightning model. This data will help fire agencies be better prepared to pre-deploy resources in advance of these events. Specific information regarding duration, amount, and location will be especially valuable.

Downscaling Coarse Scale Microwave Soil Moisture Product using Machine Learning

NASA Astrophysics Data System (ADS)

Abbaszadeh, P.; Moradkhani, H.; Yan, H.

2016-12-01

Soil moisture (SM) is a key variable in partitioning and examining the global water-energy cycle, agricultural planning, and water resource management. It is also strongly coupled with climate change, playing an important role in weather forecasting and drought monitoring and prediction, flood modeling and irrigation management. Although satellite retrievals can provide an unprecedented information of soil moisture at a global-scale, the products might be inadequate for basin scale study or regional assessment. To improve the spatial resolution of SM, this work presents a novel approach based on Machine Learning (ML) technique that allows for downscaling of the satellite soil moisture to fine resolution. For this purpose, the SMAP L-band radiometer SM products were used and conditioned on the Variable Infiltration Capacity (VIC) model prediction to describe the relationship between the coarse and fine scale soil moisture data. The proposed downscaling approach was applied to a western US basin and the products were compared against the available SM data from in-situ gauge stations. The obtained results indicated a great potential of the machine learning technique to derive the fine resolution soil moisture information that is currently used for land data assimilation applications.

Optimization of Analytical Potentials for Coarse-Grained Biopolymer Models.

PubMed

Mereghetti, Paolo; Maccari, Giuseppe; Spampinato, Giulia Lia Beatrice; Tozzini, Valentina

2016-08-25

The increasing trend in the recent literature on coarse grained (CG) models testifies their impact in the study of complex systems. However, the CG model landscape is variegated: even considering a given resolution level, the force fields are very heterogeneous and optimized with very different parametrization procedures. Along the road for standardization of CG models for biopolymers, here we describe a strategy to aid building and optimization of statistics based analytical force fields and its implementation in the software package AsParaGS (Assisted Parameterization platform for coarse Grained modelS). Our method is based on the use and optimization of analytical potentials, optimized by targeting internal variables statistical distributions by means of the combination of different algorithms (i.e., relative entropy driven stochastic exploration of the parameter space and iterative Boltzmann inversion). This allows designing a custom model that endows the force field terms with a physically sound meaning. Furthermore, the level of transferability and accuracy can be tuned through the choice of statistical data set composition. The method-illustrated by means of applications to helical polypeptides-also involves the analysis of two and three variable distributions, and allows handling issues related to the FF term correlations. AsParaGS is interfaced with general-purpose molecular dynamics codes and currently implements the "minimalist" subclass of CG models (i.e., one bead per amino acid, Cα based). Extensions to nucleic acids and different levels of coarse graining are in the course.

The influence of spatially and temporally high-resolution wind forcing on the power input to near-inertial waves in the ocean

NASA Astrophysics Data System (ADS)

Rimac, Antonija; von Storch, Jin-Song; Eden, Carsten

2013-04-01

The estimated power required to sustain global general circulation in the ocean is about 2 TW. This power is supplied with wind stress and tides. Energy spectrum shows pronounced maxima at near-inertial frequency. Near-inertial waves excited by high-frequency winds represent an important source for deep ocean mixing since they can propagate into the deep ocean and dissipate far away from the generation sites. The energy input by winds to near-inertial waves has been studied mostly using slab ocean models and wind stress forcing with coarse temporal resolution (e.g. 6-hourly). Slab ocean models lack the ability to reproduce fundamental aspects of kinetic energy balance and systematically overestimate the wind work. Also, slab ocean models do not account the energy used for the mixed layer deepening or the energy radiating downward into the deep ocean. Coarse temporal resolution of the wind forcing strongly underestimates the near-inertial energy. To overcome this difficulty we use an eddy permitting ocean model with high-frequency wind forcing. We establish the following model setup: We use the Max Planck Institute Ocean Model (MPIOM) on a tripolar grid with 45 km horizontal resolution and 40 vertical levels. We run the model with wind forcings that vary in horizontal and temporal resolution. We use high-resolution (1-hourly with 35 km horizontal resolution) and low-resolution winds (6-hourly with 250 km horizontal resolution). We address the following questions: Is the kinetic energy of near-inertial waves enhanced when high-resolution wind forcings are used? If so, is this due to higher level of overall wind variability or higher spatial or temporal resolution of wind forcing? How large is the power of near-inertial waves generated by winds? Our results show that near-inertial waves are enhanced and the near-inertial kinetic energy is two times higher (in the storm track regions 3.5 times higher) when high-resolution winds are used. Filtering high-resolution winds in space and time, the near-inertial kinetic energy reduces. The reduction is faster when a temporal filter is used suggesting that the high-frequency wind forcing is more efficient in generating near-inertial wave energy than the small-scale wind forcing. Using low-resolution wind forcing the wind generated power to near-inertial waves is 0.55 TW. When we use high-resolution wind forcing the result is 1.6 TW meaning that the result increases by 300%.

Back to the future: using historical climate variation to project near-term shifts in habitat suitable for coast redwood.

PubMed

Fernández, Miguel; Hamilton, Healy H; Kueppers, Lara M

2015-11-01

Studies that model the effect of climate change on terrestrial ecosystems often use climate projections from downscaled global climate models (GCMs). These simulations are generally too coarse to capture patterns of fine-scale climate variation, such as the sharp coastal energy and moisture gradients associated with wind-driven upwelling of cold water. Coastal upwelling may limit future increases in coastal temperatures, compromising GCMs' ability to provide realistic scenarios of future climate in these coastal ecosystems. Taking advantage of naturally occurring variability in the high-resolution historic climatic record, we developed multiple fine-scale scenarios of California climate that maintain coherent relationships between regional climate and coastal upwelling. We compared these scenarios against coarse resolution GCM projections at a regional scale to evaluate their temporal equivalency. We used these historically based scenarios to estimate potential suitable habitat for coast redwood (Sequoia sempervirens D. Don) under 'normal' combinations of temperature and precipitation, and under anomalous combinations representative of potential future climates. We found that a scenario of warmer temperature with historically normal precipitation is equivalent to climate projected by GCMs for California by 2020-2030 and that under these conditions, climatically suitable habitat for coast redwood significantly contracts at the southern end of its current range. Our results suggest that historical climate data provide a high-resolution alternative to downscaled GCM outputs for near-term ecological forecasts. This method may be particularly useful in other regions where local climate is strongly influenced by ocean-atmosphere dynamics that are not represented by coarse-scale GCMs. © 2015 John Wiley & Sons Ltd.

The relative entropy is fundamental to adaptive resolution simulations

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

Kreis, Karsten; Graduate School Materials Science in Mainz, Staudingerweg 9, 55128 Mainz; Potestio, Raffaello, E-mail: potestio@mpip-mainz.mpg.de

Adaptive resolution techniques are powerful methods for the efficient simulation of soft matter systems in which they simultaneously employ atomistic and coarse-grained (CG) force fields. In such simulations, two regions with different resolutions are coupled with each other via a hybrid transition region, and particles change their description on the fly when crossing this boundary. Here we show that the relative entropy, which provides a fundamental basis for many approaches in systematic coarse-graining, is also an effective instrument for the understanding of adaptive resolution simulation methodologies. We demonstrate that the use of coarse-grained potentials which minimize the relative entropy withmore » respect to the atomistic system can help achieve a smoother transition between the different regions within the adaptive setup. Furthermore, we derive a quantitative relation between the width of the hybrid region and the seamlessness of the coupling. Our results do not only shed light on the what and how of adaptive resolution techniques but will also help setting up such simulations in an optimal manner.« less

The relative entropy is fundamental to adaptive resolution simulations

NASA Astrophysics Data System (ADS)

Kreis, Karsten; Potestio, Raffaello

2016-07-01

Adaptive resolution techniques are powerful methods for the efficient simulation of soft matter systems in which they simultaneously employ atomistic and coarse-grained (CG) force fields. In such simulations, two regions with different resolutions are coupled with each other via a hybrid transition region, and particles change their description on the fly when crossing this boundary. Here we show that the relative entropy, which provides a fundamental basis for many approaches in systematic coarse-graining, is also an effective instrument for the understanding of adaptive resolution simulation methodologies. We demonstrate that the use of coarse-grained potentials which minimize the relative entropy with respect to the atomistic system can help achieve a smoother transition between the different regions within the adaptive setup. Furthermore, we derive a quantitative relation between the width of the hybrid region and the seamlessness of the coupling. Our results do not only shed light on the what and how of adaptive resolution techniques but will also help setting up such simulations in an optimal manner.

Future Climate Change Impact Assessment of River Flows at Two Watersheds of Peninsular Malaysia

NASA Astrophysics Data System (ADS)

Ercan, A.; Ishida, K.; Kavvas, M. L.; Chen, Z. R.; Jang, S.; Amin, M. Z. M.; Shaaban, A. J.

2016-12-01

Impacts of climate change on the river flows under future climate change conditions were assessed over Muda and Dungun watersheds of Peninsular Malaysia by means of a coupled regional climate model and a physically-based hydrology model utilizing an ensemble of 15 different future climate realizations. Coarse resolution GCMs' future projections covering a wide range of emission scenarios were dynamically downscaled to 6 km resolution over the study area. Hydrologic simulations of the two selected watersheds were carried out at hillslope-scale and at hourly increments.

On neutral metacommunity patterns of river basins at different scales of aggregation

NASA Astrophysics Data System (ADS)

Convertino, Matteo; Muneepeerakul, Rachata; Azaele, Sandro; Bertuzzo, Enrico; Rinaldo, Andrea; Rodriguez-Iturbe, Ignacio

2009-08-01

Neutral metacommunity models for spatial biodiversity patterns are implemented on river networks acting as ecological corridors at different resolution. Coarse-graining elevation fields (under the constraint of preserving the basin mean elevation) produce a set of reconfigured drainage networks. The hydrologic assumption made implies uniform runoff production such that each link has the same habitat capacity. Despite the universal scaling properties shown by river basins regardless of size, climate, vegetation, or exposed lithology, we find that species richness at local and regional scales exhibits resolution-dependent behavior. In addition, we investigate species-area relationships and rank-abundance patterns. The slopes of the species-area relationships, which are consistent over coarse-graining resolutions, match those found in real landscapes in the case of long-distance dispersal. The rank-abundance patterns are independent of the resolution over a broad range of dispersal length. Our results confirm that strong interactions occur between network structure and the dispersal of species and that under the assumption of neutral dynamics, these interactions produce resolution-dependent biodiversity patterns that diverge from expectations following from universal geomorphic scaling laws. Both in theoretical and in applied ecology studying how patterns change in resolution is relevant for understanding how ecological dynamics work in fragmented landscape and for sampling and biodiversity management campaigns, especially in consideration of climate change.

Mesosacle eddies in a high resolution OGCM and coupled ocean-atmosphere GCM

NASA Astrophysics Data System (ADS)

Yu, Y.; Liu, H.; Lin, P.

2017-12-01

The present study described high-resolution climate modeling efforts including oceanic, atmospheric and coupled general circulation model (GCM) at the state key laboratory of numerical modeling for atmospheric sciences and geophysical fluid dynamics (LASG), Institute of Atmospheric Physics (IAP). The high-resolution OGCM is established based on the latest version of the LASG/IAP Climate system Ocean Model (LICOM2.1), but its horizontal resolution and vertical resolution are increased to 1/10° and 55 layers, respectively. Forced by the surface fluxes from the reanalysis and observed data, the model has been integrated for approximately more than 80 model years. Compared with the simulation of the coarse-resolution OGCM, the eddy-resolving OGCM not only better simulates the spatial-temporal features of mesoscale eddies and the paths and positions of western boundary currents but also reproduces the large meander of the Kuroshio Current and its interannual variability. Another aspect, namely, the complex structures of equatorial Pacific currents and currents in the coastal ocean of China, are better captured due to the increased horizontal and vertical resolution. Then we coupled the high resolution OGCM to NCAR CAM4 with 25km resolution, in which the mesoscale air-sea interaction processes are better captured.

Detailed climate-change projections for urban land-use change and green-house gas increases for Belgium with COSMO-CLM coupled to TERRA_URB

NASA Astrophysics Data System (ADS)

Wouters, Hendrik; Vanden Broucke, Sam; van Lipzig, Nicole; Demuzere, Matthias

2016-04-01

Recent research clearly show that climate modelling at high resolution - which resolve the deep convection, the detailed orography and land-use including urbanization - leads to better modelling performance with respect to temperatures, the boundary-layer, clouds and precipitation. The increasing computational power enables the climate research community to address climate-change projections with higher accuracy and much more detail. In the framework of the CORDEX.be project aiming for coherent high-resolution micro-ensemble projections for Belgium employing different GCMs and RCMs, the KU Leuven contributes by means of the downscaling of EC-EARTH global climate model projections (provided by the Royal Meteorological Institute of the Netherlands) to the Belgian domain. The downscaling is obtained with regional climate simulations at 12.5km resolution over Europe (CORDEX-EU domain) and at 2.8km resolution over Belgium (CORDEX.be domain) using COSMO-CLM coupled to urban land-surface parametrization TERRA_URB. This is done for the present-day (1975-2005) and future (2040 → 2070 and 2070 → 2100). In these high-resolution runs, both GHG changes (in accordance to RCP8.5) and urban land-use changes (in accordance to a business-as-usual urban expansion scenario) are taken into account. Based on these simulations, it is shown how climate-change statistics are modified when going from coarse resolution modelling to high-resolution modelling. The climate-change statistics of particular interest are the changes in number of extreme precipitation events and extreme heat waves in cities. Hereby, it is futher investigated for the robustness of the signal change between the course and high-resolution and whether a (statistical) translation is possible. The different simulations also allow to address the relative impact and synergy between the urban expansion and increased GHG on the climate-change statistics. Hereby, it is investigated for which climate-change statistics the urban heat island and urban expansion is relevant, and to what extent the urban expansion can be included in the coarse-to-high resolution translation.

Comparison of numerical weather prediction based deterministic and probabilistic wind resource assessment methods

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

Zhang, Jie; Draxl, Caroline; Hopson, Thomas

Numerical weather prediction (NWP) models have been widely used for wind resource assessment. Model runs with higher spatial resolution are generally more accurate, yet extremely computational expensive. An alternative approach is to use data generated by a low resolution NWP model, in conjunction with statistical methods. In order to analyze the accuracy and computational efficiency of different types of NWP-based wind resource assessment methods, this paper performs a comparison of three deterministic and probabilistic NWP-based wind resource assessment methodologies: (i) a coarse resolution (0.5 degrees x 0.67 degrees) global reanalysis data set, the Modern-Era Retrospective Analysis for Research and Applicationsmore » (MERRA); (ii) an analog ensemble methodology based on the MERRA, which provides both deterministic and probabilistic predictions; and (iii) a fine resolution (2-km) NWP data set, the Wind Integration National Dataset (WIND) Toolkit, based on the Weather Research and Forecasting model. Results show that: (i) as expected, the analog ensemble and WIND Toolkit perform significantly better than MERRA confirming their ability to downscale coarse estimates; (ii) the analog ensemble provides the best estimate of the multi-year wind distribution at seven of the nine sites, while the WIND Toolkit is the best at one site; (iii) the WIND Toolkit is more accurate in estimating the distribution of hourly wind speed differences, which characterizes the wind variability, at five of the available sites, with the analog ensemble being best at the remaining four locations; and (iv) the analog ensemble computational cost is negligible, whereas the WIND Toolkit requires large computational resources. Future efforts could focus on the combination of the analog ensemble with intermediate resolution (e.g., 10-15 km) NWP estimates, to considerably reduce the computational burden, while providing accurate deterministic estimates and reliable probabilistic assessments.« less

Tunable Coarse Graining for Monte Carlo Simulations of Proteins via Smoothed Energy Tables: Direct and Exchange Simulations

PubMed Central

2015-01-01

Many commonly used coarse-grained models for proteins are based on simplified interaction sites and consequently may suffer from significant limitations, such as the inability to properly model protein secondary structure without the addition of restraints. Recent work on a benzene fluid (LettieriS.; ZuckermanD. M.J. Comput. Chem.2012, 33, 268−27522120971) suggested an alternative strategy of tabulating and smoothing fully atomistic orientation-dependent interactions among rigid molecules or fragments. Here we report our initial efforts to apply this approach to the polar and covalent interactions intrinsic to polypeptides. We divide proteins into nearly rigid fragments, construct distance and orientation-dependent tables of the atomistic interaction energies between those fragments, and apply potential energy smoothing techniques to those tables. The amount of smoothing can be adjusted to give coarse-grained models that range from the underlying atomistic force field all the way to a bead-like coarse-grained model. For a moderate amount of smoothing, the method is able to preserve about 70–90% of the α-helical structure while providing a factor of 3–10 improvement in sampling per unit computation time (depending on how sampling is measured). For a greater amount of smoothing, multiple folding–unfolding transitions of the peptide were observed, along with a factor of 10–100 improvement in sampling per unit computation time, although the time spent in the unfolded state was increased compared with less smoothed simulations. For a β hairpin, secondary structure is also preserved, albeit for a narrower range of the smoothing parameter and, consequently, for a more modest improvement in sampling. We have also applied the new method in a “resolution exchange” setting, in which each replica runs a Monte Carlo simulation with a different degree of smoothing. We obtain exchange rates that compare favorably to our previous efforts at resolution exchange (LymanE.; ZuckermanD. M.J. Chem. Theory Comput.2006, 2, 656−666). PMID:25400525

Domain-averaged snow depth over complex terrain from flat field measurements

NASA Astrophysics Data System (ADS)

Helbig, Nora; van Herwijnen, Alec

2017-04-01

Snow depth is an important parameter for a variety of coarse-scale models and applications, such as hydrological forecasting. Since high-resolution snow cover models are computational expensive, simplified snow models are often used. Ground measured snow depth at single stations provide a chance for snow depth data assimilation to improve coarse-scale model forecasts. Snow depth is however commonly recorded at so-called flat fields, often in large measurement networks. While these ground measurement networks provide a wealth of information, various studies questioned the representativity of such flat field snow depth measurements for the surrounding topography. We developed two parameterizations to compute domain-averaged snow depth for coarse model grid cells over complex topography using easy to derive topographic parameters. To derive the two parameterizations we performed a scale dependent analysis for domain sizes ranging from 50m to 3km using highly-resolved snow depth maps at the peak of winter from two distinct climatic regions in Switzerland and in the Spanish Pyrenees. The first, simpler parameterization uses a commonly applied linear lapse rate. For the second parameterization, we first removed the obvious elevation gradient in mean snow depth, which revealed an additional correlation with the subgrid sky view factor. We evaluated domain-averaged snow depth derived with both parameterizations using flat field measurements nearby with the domain-averaged highly-resolved snow depth. This revealed an overall improved performance for the parameterization combining a power law elevation trend scaled with the subgrid parameterized sky view factor. We therefore suggest the parameterization could be used to assimilate flat field snow depth into coarse-scale snow model frameworks in order to improve coarse-scale snow depth estimates over complex topography.

A comparison of three approaches for simulating fine-scale surface winds in support of wildland fire management: Part I. Model formulation and comparison against measurements

Treesearch

Jason M. Forthofer; Bret W. Butler; Natalie S. Wagenbrenner

2014-01-01

For this study three types of wind models have been defined for simulating surface wind flow in support of wildland fire management: (1) a uniform wind field (typically acquired from coarse-resolution (,4 km) weather service forecast models); (2) a newly developed mass-conserving model and (3) a newly developed mass and momentumconserving model (referred to as the...

Multiscale virtual particle based elastic network model (MVP-ENM) for normal mode analysis of large-sized biomolecules.

PubMed

Xia, Kelin

2017-12-20

In this paper, a multiscale virtual particle based elastic network model (MVP-ENM) is proposed for the normal mode analysis of large-sized biomolecules. The multiscale virtual particle (MVP) model is proposed for the discretization of biomolecular density data. With this model, large-sized biomolecular structures can be coarse-grained into virtual particles such that a balance between model accuracy and computational cost can be achieved. An elastic network is constructed by assuming "connections" between virtual particles. The connection is described by a special harmonic potential function, which considers the influence from both the mass distributions and distance relations of the virtual particles. Two independent models, i.e., the multiscale virtual particle based Gaussian network model (MVP-GNM) and the multiscale virtual particle based anisotropic network model (MVP-ANM), are proposed. It has been found that in the Debye-Waller factor (B-factor) prediction, the results from our MVP-GNM with a high resolution are as good as the ones from GNM. Even with low resolutions, our MVP-GNM can still capture the global behavior of the B-factor very well with mismatches predominantly from the regions with large B-factor values. Further, it has been demonstrated that the low-frequency eigenmodes from our MVP-ANM are highly consistent with the ones from ANM even with very low resolutions and a coarse grid. Finally, the great advantage of MVP-ANM model for large-sized biomolecules has been demonstrated by using two poliovirus virus structures. The paper ends with a conclusion.

Evaluation of near surface ozone and particulate matter in air ...

EPA Pesticide Factsheets

In this study, techniques typically used for future air quality projections are applied to a historical 11-year period to assess the performance of the modeling system when the driving meteorological conditions are obtained using dynamical downscaling of coarse-scale fields without correcting toward higher-resolution observations. The Weather Research and Forecasting model and the Community Multiscale Air Quality model are used to simulate regional climate and air quality over the contiguous United States for 2000–2010. The air quality simulations for that historical period are then compared to observations from four national networks. Comparisons are drawn between defined performance metrics and other published modeling results for predicted ozone, fine particulate matter, and speciated fine particulate matter. The results indicate that the historical air quality simulations driven by dynamically downscaled meteorology are typically within defined modeling performance benchmarks and are consistent with results from other published modeling studies using finer-resolution meteorology. This indicates that the regional climate and air quality modeling framework utilized here does not introduce substantial bias, which provides confidence in the method’s use for future air quality projections. This paper shows that if emissions inputs and coarse-scale meteorological inputs are reasonably accurate, then air quality can be simulated with acceptable accuracy even wi

Bathymetric terrain model of the Atlantic margin for marine geological investigations

USGS Publications Warehouse

Andrews, Brian D.; Chaytor, Jason D.; ten Brink, Uri S.; Brothers, Daniel S.; Gardner, James V.; Lobecker, Elizabeth A.; Calder, Brian R.

2016-01-01

A bathymetric terrain model of the Atlantic margin covering almost 725,000 square kilometers of seafloor from the New England Seamounts in the north to the Blake Basin in the south is compiled from existing multibeam bathymetric data for marine geological investigations. Although other terrain models of the same area are extant, they are produced from either satellite-derived bathymetry at coarse resolution (ETOPO1), or use older bathymetric data collected by using a combination of single beam and multibeam sonars (Coastal Relief Model). The new multibeam data used to produce this terrain model have been edited by using hydrographic data processing software to maximize the quality, usability, and cartographic presentation of the combined 100-meter resolution grid. The final grid provides the largest high-resolution, seamless terrain model of the Atlantic margin..

Initialization of high resolution surface wind simulations using NWS gridded data

Treesearch

J. Forthofer; K. Shannon; Bret Butler

2010-01-01

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

Analysis of North Atlantic Tropical Cyclone Intensify Change Using Data Mining

ERIC Educational Resources Information Center

Tang, Jiang

2010-01-01

Tropical cyclones (TC), especially when their intensity reaches hurricane scale, can become a costly natural hazard. Accurate prediction of tropical cyclone intensity is very difficult because of inadequate observations on TC structures, poor understanding of physical processes, coarse model resolution and inaccurate initial conditions, etc. This…

[Air pollution in an urban area nearby the Rome-Ciampino city airport].

PubMed

Di Menno di Bucchianico, Alessandro; Cattani, Giorgio; Gaeta, Alessandra; Caricchia, Anna Maria; Troiano, Francesco; Sozzi, Roberto; Bolignano, Andrea; Sacco, Fabrizio; Damizia, Sesto; Barberini, Silvia; Caleprico, Roberta; Fabozzi, Tina; Ancona, Carla; Ancona, Laura; Cesaroni, Giulia; Forastiere, Francesco; Gobbi, Gian Paolo; Costabile, Francesca; Angelini, Federico; Barnaba, Francesca; Inglessis, Marco; Tancredi, Francesco; Palumbo, Lorenzo; Fontana, Luca; Bergamaschi, Antonio; Iavicoli, Ivo

2014-01-01

to assess air pollution spatial and temporal variability in the urban area nearby the Ciampino International Airport (Rome) and to investigate the airport-related emissions contribute. the study domain was a 64 km2 area around the airport. Two fifteen-day monitoring campaigns (late spring, winter) were carried out. Results were evaluated using several runs outputs of an airport-related sources Lagrangian particle model and a photochemical model (the Flexible Air quality Regional Model, FARM). both standard and high time resolution air pollutant concentrations measurements: CO, NO, NO2, C6H6, mass and number concentration of several PM fractions. 46 fixed points (spread over the study area) of NO2 and volatile organic compounds concentrations (fifteen days averages); deterministic models outputs. standard time resolution measurements, as well as model outputs, showed the airport contribution to air pollution levels being little compared to the main source in the area (i.e. vehicular traffic). However, using high time resolution measurements, peaks of particles associated with aircraft takeoff (total number concentration and soot mass concentration), and landing (coarse mass concentration) were observed, when the site measurement was downwind to the runway. the frequently observed transient spikes associated with aircraft movements could lead to a not negligible contribute to ultrafine, soot and coarse particles exposure of people living around the airport. Such contribute and its spatial and temporal variability should be investigated when assessing the airports air quality impact.

Modeling Above-Ground Biomass Across Multiple Circum-Arctic Tundra Sites Using High Spatial Resolution Remote Sensing

NASA Astrophysics Data System (ADS)

Räsänen, Aleksi; Juutinen, Sari; Aurela, Mika; Virtanen, Tarmo

2017-04-01

Biomass is one of the central bio-geophysical variables in Earth observation for tracking plant productivity, and flow of carbon, nutrients, and water. Most of the satellite based biomass mapping exercises in Arctic environments have been performed by using rather coarse spatial resolution data, e.g. Landsat and AVHRR which have spatial resolutions of 30 m and >1 km, respectively. While the coarse resolution images have high temporal resolution, they are incapable of capturing the fragmented nature of tundra environment and fine-scale changes in vegetation and carbon exchange patterns. Very high spatial resolution (VHSR, spatial resolution 0.5-2 m) satellite images have the potential to detect environmental variables with an ecologically sound spatial resolution. The usage of VHSR images has, nevertheless, been modest so far in biomass modeling in the Arctic. Our objectives were to use VHSR for predicting above ground biomass in tundra landscapes, evaluate whether a common predictive model can be applied across circum-Arctic tundra and peatland sites having different types of vegetation, and produce knowledge on distribution of plant functional types (PFT) in these sites. Such model development is dependent on ground-based surveys of vegetation with the same spatial resolution and extent with the VHSR images. In this study, we conducted ground-based surveys of vegetation composition and biomass in four different arctic tundra or peatland areas located in Russia, Canada, and Finland. First, we sorted species into PFTs and developed PFT-specific models to predict biomass on the basis of non-destructive measurements (cover, height). Second, we predicted overall biomass on landscape scale by combinations of single bands and vegetation indices of very high resolution satellite images (QuickBird or WorldView-2 images of the eight sites). We compared area-specific empirical regression models and common models that were applied across all sites. We found that NDVI was usually the highest scoring spectral indices in explaining biomass distribution with good explanatory power. Furthermore, models which had more than one explanatory variable had higher explanatory power than models with a single index. The dissimilarity between common and site-specific model estimates was, however, high and data indicates that variation in vegetation properties and its impact on spectral reflectance needs to be acknowledged. Our work produced knowledge on above-ground biomass distribution and contribution of PFTs across circum-Arctic low-growth landscapes and will contribute to developing space-borne vegetation monitoring schemes utilizing VHSR satellite images.

Efficient super-resolution image reconstruction applied to surveillance video captured by small unmanned aircraft systems

NASA Astrophysics Data System (ADS)

He, Qiang; Schultz, Richard R.; Chu, Chee-Hung Henry

2008-04-01

The concept surrounding super-resolution image reconstruction is to recover a highly-resolved image from a series of low-resolution images via between-frame subpixel image registration. In this paper, we propose a novel and efficient super-resolution algorithm, and then apply it to the reconstruction of real video data captured by a small Unmanned Aircraft System (UAS). Small UAS aircraft generally have a wingspan of less than four meters, so that these vehicles and their payloads can be buffeted by even light winds, resulting in potentially unstable video. This algorithm is based on a coarse-to-fine strategy, in which a coarsely super-resolved image sequence is first built from the original video data by image registration and bi-cubic interpolation between a fixed reference frame and every additional frame. It is well known that the median filter is robust to outliers. If we calculate pixel-wise medians in the coarsely super-resolved image sequence, we can restore a refined super-resolved image. The primary advantage is that this is a noniterative algorithm, unlike traditional approaches based on highly-computational iterative algorithms. Experimental results show that our coarse-to-fine super-resolution algorithm is not only robust, but also very efficient. In comparison with five well-known super-resolution algorithms, namely the robust super-resolution algorithm, bi-cubic interpolation, projection onto convex sets (POCS), the Papoulis-Gerchberg algorithm, and the iterated back projection algorithm, our proposed algorithm gives both strong efficiency and robustness, as well as good visual performance. This is particularly useful for the application of super-resolution to UAS surveillance video, where real-time processing is highly desired.

Use of CMIP Atmospheric Boundary Conditions with ISMs

NASA Technical Reports Server (NTRS)

Cullather, Richard; Nowicki, Sophie

2017-01-01

Dynamical ice sheet models are being used in simulations of future sea level change resulting from changing glacier mass. One of the difficulties in doing so are the input conditions obtained from earth system models. These inputs can be of coarse spatial resolution, and may not represent surface melt in a future climate. I review various methods for overcoming this with the aim of promoting discussion among modelers.

On a turbulent wall model to predict hemolysis numerically in medical devices

NASA Astrophysics Data System (ADS)

Lee, Seunghun; Chang, Minwook; Kang, Seongwon; Hur, Nahmkeon; Kim, Wonjung

2017-11-01

Analyzing degradation of red blood cells is very important for medical devices with blood flows. The blood shear stress has been recognized as the most dominant factor for hemolysis in medical devices. Compared to laminar flows, turbulent flows have higher shear stress values in the regions near the wall. In case of predicting hemolysis numerically, this phenomenon can require a very fine mesh and large computational resources. In order to resolve this issue, the purpose of this study is to develop a turbulent wall model to predict the hemolysis more efficiently. In order to decrease the numerical error of hemolysis prediction in a coarse grid resolution, we divided the computational domain into two regions and applied different approaches to each region. In the near-wall region with a steep velocity gradient, an analytic approach using modeled velocity profile is applied to reduce a numerical error to allow a coarse grid resolution. We adopt the Van Driest law as a model for the mean velocity profile. In a region far from the wall, a regular numerical discretization is applied. The proposed turbulent wall model is evaluated for a few turbulent flows inside a cannula and centrifugal pumps. The results present that the proposed turbulent wall model for hemolysis improves the computational efficiency significantly for engineering applications. Corresponding author.

Membrane Compartmentalization Reducing the Mobility of Lipids and Proteins within a Model Plasma Membrane.

PubMed

Koldsø, Heidi; Reddy, Tyler; Fowler, Philip W; Duncan, Anna L; Sansom, Mark S P

2016-09-01

The cytoskeleton underlying cell membranes may influence the dynamic organization of proteins and lipids within the bilayer by immobilizing certain transmembrane (TM) proteins and forming corrals within the membrane. Here, we present coarse-grained resolution simulations of a biologically realistic membrane model of asymmetrically organized lipids and TM proteins. We determine the effects of a model of cytoskeletal immobilization of selected membrane proteins using long time scale coarse-grained molecular dynamics simulations. By introducing compartments with varying degrees of restraints within the membrane models, we are able to reveal how compartmentalization caused by cytoskeletal immobilization leads to reduced and anomalous diffusional mobility of both proteins and lipids. This in turn results in a reduced rate of protein dimerization within the membrane and of hopping of membrane proteins between compartments. These simulations provide a molecular realization of hierarchical models often invoked to explain single-molecule imaging studies of membrane proteins.

Effect of Downscaled Forcings and Soil Texture Properties on Hyperresolution Hydrologic Simulations in a Regional Basin in Northwest Mexico

NASA Astrophysics Data System (ADS)

Ko, A.; Mascaro, G.; Vivoni, E. R.

2017-12-01

Hyper-resolution (< 1 km) hydrological modeling is expected to support a range of studies related to the terrestrial water cycle. A critical need for increasing the utility of hyper-resolution modeling is the availability of meteorological forcings and land surface characteristics at high spatial resolution. Unfortunately, in many areas these datasets are only available at coarse (> 10 km) scales. In this study, we address some of the challenges by applying a parallel version of the Triangulated Irregular Network (TIN)-based Real Time Integrated Basin Simulator (tRIBS) to the Rio Sonora Basin (RSB) in northwest Mexico. The RSB is a large, semiarid watershed ( 21,000 km2) characterized by complex topography and a strong seasonality in vegetation conditions, due to the North American monsoon. We conducted simulations at an average spatial resolution of 88 m over a decadal (2004-2013) period using spatially-distributed forcings from remotely-sensed and reanalysis products. Meteorological forcings were derived from the North American Land Data Assimilation System (NLDAS) at the original resolution of 12 km and were downscaled at 1 km with techniques accounting for terrain effects. Two grids of soil properties were created from different sources, including: (i) CONABIO (Comisión Nacional para el Conocimiento y Uso de la Biodiversidad) at 6 km resolution; and (ii) ISRIC (International Soil Reference Information Centre) at 250 m. Time-varying vegetation parameters were derived from the Moderate Resolution Imaging Spectroradiometer (MODIS) composite products. The model was first calibrated and validated through distributed soil moisture data from a network of 20 soil moisture stations during the monsoon season. Next, hydrologic simulations were conducted with five different combinations of coarse and downscaled forcings and soil properties. Outputs in the different configurations were then compared with independent observations of soil moisture, and with estimates of land surface temperature (1 km, daily) and evapotranspiration (1 km, monthly) from MODIS. This study is expected to support the community involved in hyper-resolution hydrologic modeling by identifying the crucial factors that, if available at higher resolution, lead to the largest improvement of the simulation prognostic capability.

Data Analysis and Non-local Parametrization Strategies for Organized Atmospheric Convection

NASA Astrophysics Data System (ADS)

Brenowitz, Noah D.

The intrinsically multiscale nature of moist convective processes in the atmosphere complicates scientific understanding, and, as a result, current coarse-resolution climate models poorly represent convective variability in the tropics. This dissertation addresses this problem by 1) studying new cumulus convective closures in a pair of idealized models for tropical moist convection, and 2) developing innovative strategies for analyzing high-resolution numerical simulations of organized convection. The first two chapters of this dissertation revisit a historical controversy about the use of convective closures based on the large-scale wind field or moisture convergence. In the first chapter, a simple coarse resolution stochastic model for convective inhibition is designed which includes the non-local effects of wind-convergence on convective activity. This model is designed to replicate the convective dynamics of a typical coarse-resolution climate prediction model. The non-local convergence coupling is motivated by the phenomena of gregarious convection, whereby mesoscale convective systems emit gravity waves which can promote convection at a distant locations. Linearized analysis and nonlinear simulations show that this convergence coupling allows for increased interaction between cumulus convection and the large-scale circulation, but does not suffer from the deleterious behavior of traditional moisture-convergence closures. In the second chapter, the non-local convergence coupling idea is extended to an idealized stochastic multicloud model. This model allows for stochastic transitions between three distinct cloud types, and non-local convergence coupling is most beneficial when applied to the transition from shallow to deep convection. This is consistent with recent observational and numerical modeling evidence, and there is a growing body of work highlighting the importance of this transition in tropical meteorology. In a series of idealized Walker cell simulations, convergence coupling enhances the persistence of Kelvin wave analogs in dry regions of the domain while leaving the dynamics in moist regions largely unaltered. The final chapter of this dissertation presents a technique for analyzing the variability of a direct numerical simulation of Rayleigh-Benard convection at large aspect ratio, which is a basic prototype of convective organization. High resolution numerical models are an invaluable tool for studying atmospheric dynamics, but modern data analysis techniques struggle with the extreme size of the model outputs and the trivial symmetries of the underlying dynamical systems (e.g. shift-invariance). A new data analysis approach which is invariant to spatial symmetries is derived by combining a quasi-Lagrangian description of the data, time-lagged embedding, and manifold learning techniques. The quasi-Lagrangian description is obtained by a straightforward isothermal binning procedure, which compresses the data in a dynamically-aware fashion. A small number of orthogonal modes returned by this algorithm are able to explain the highly intermittent dynamics of the bulk heat transfer, as quantified by the Nusselt Number.

Large Contribution of Coarse Mode to Aerosol Microphysical and Optical Properties: Evidence from Ground-Based Observations of a Transpacific Dust Outbreak at a High-Elevation North American Site

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

Kassianov, E.; Pekour, M.; Flynn, C.

Our work is motivated by previous studies of the long-range trans-Atlantic transport of Saharan dust and the observed quasi-static nature of coarse mode aerosol with a volume median diameter (VMD) of approximately 3.5 µm. We examine coarse mode contributions from the trans-Pacific transport of Asian dust to North American aerosol microphysical and optical properties using a dataset collected at the high-elevation, mountain-top Storm Peak Laboratory (SPL, 3.22 km above sea level [ASL]) and the nearby Atmospheric Radiation Measurement (ARM) Mobile Facility (AMF, 2.76 km ASL). Data collected during the SPL Cloud Property Validation Experiment (STORMVEX, March 2011) are complemented bymore » quasi-global high-resolution model simulations coupled with aerosol chemistry. We identify dust event associated mostly with Asian plume (about 70% of dust mass) where the coarse mode with moderate (~4 µm) VMD is distinct and contributes substantially to aerosol microphysical (up to 70% for total volume) and optical (up to 45% for total scattering and aerosol optical depth) properties. Our results, when compared with previous Saharan dust studies, suggest a fairly invariant behavior of coarse mode dust aerosols. If confirmed in additional studies, this invariant behavior may simplify considerably model parameterizations for complex and size-dependent processes associated with dust transport and removal.« less

Development of High-Resolution Dynamic Dust Source Function - A Case Study with a Strong Dust Storm in a Regional Model

NASA Technical Reports Server (NTRS)

Kim, Dongchul; Chin, Mian; Kemp, Eric M.; Tao, Zhining; Peters-Lidard, Christa D.; Ginoux, Paul

2017-01-01

A high-resolution dynamic dust source has been developed in the NASA Unified-Weather Research and Forecasting (NU-WRF) model to improve the existing coarse static dust source. In the new dust source map, topographic depression is in 1-km resolution and surface bareness is derived using the Normalized Difference Vegetation Index (NDVI) data from Moderate Resolution Imaging Spectroradiometer (MODIS). The new dust source better resolves the complex topographic distribution over the Western United States where its magnitude is higher than the existing, coarser resolution static source. A case study is conducted with an extreme dust storm that occurred in Phoenix, Arizona in 0203 UTC July 6, 2011. The NU-WRF model with the new high-resolution dynamic dust source is able to successfully capture the dust storm, which was not achieved with the old source identification. However the case study also reveals several challenges in reproducing the time evolution of the short-lived, extreme dust storm events.

Development of High-Resolution Dynamic Dust Source Function -A Case Study with a Strong Dust Storm in a Regional Model

PubMed Central

Kim, Dongchul; Chin, Mian; Kemp, Eric M.; Tao, Zhining; Peters-Lidard, Christa D.; Ginoux, Paul

2018-01-01

A high-resolution dynamic dust source has been developed in the NASA Unified-Weather Research and Forecasting (NU-WRF) model to improve the existing coarse static dust source. In the new dust source map, topographic depression is in 1-km resolution and surface bareness is derived using the Normalized Difference Vegetation Index (NDVI) data from Moderate Resolution Imaging Spectroradiometer (MODIS). The new dust source better resolves the complex topographic distribution over the Western United States where its magnitude is higher than the existing, coarser resolution static source. A case study is conducted with an extreme dust storm that occurred in Phoenix, Arizona in 02-03 UTC July 6, 2011. The NU-WRF model with the new high-resolution dynamic dust source is able to successfully capture the dust storm, which was not achieved with the old source identification. However the case study also reveals several challenges in reproducing the time evolution of the short-lived, extreme dust storm events. PMID:29632432

Development of High-Resolution Dynamic Dust Source Function -A Case Study with a Strong Dust Storm in a Regional Model.

PubMed

Kim, Dongchul; Chin, Mian; Kemp, Eric M; Tao, Zhining; Peters-Lidard, Christa D; Ginoux, Paul

2017-06-01

A high-resolution dynamic dust source has been developed in the NASA Unified-Weather Research and Forecasting (NU-WRF) model to improve the existing coarse static dust source. In the new dust source map, topographic depression is in 1-km resolution and surface bareness is derived using the Normalized Difference Vegetation Index (NDVI) data from Moderate Resolution Imaging Spectroradiometer (MODIS). The new dust source better resolves the complex topographic distribution over the Western United States where its magnitude is higher than the existing, coarser resolution static source. A case study is conducted with an extreme dust storm that occurred in Phoenix, Arizona in 02-03 UTC July 6, 2011. The NU-WRF model with the new high-resolution dynamic dust source is able to successfully capture the dust storm, which was not achieved with the old source identification. However the case study also reveals several challenges in reproducing the time evolution of the short-lived, extreme dust storm events.

On the effects of scale for ecosystem services mapping

USGS Publications Warehouse

Grêt-Regamey, Adrienne; Weibel, Bettina; Bagstad, Kenneth J.; Ferrari, Marika; Geneletti, Davide; Klug, Hermann; Schirpke, Uta; Tappeiner, Ulrike

2014-01-01

Ecosystems provide life-sustaining services upon which human civilization depends, but their degradation largely continues unabated. Spatially explicit information on ecosystem services (ES) provision is required to better guide decision making, particularly for mountain systems, which are characterized by vertical gradients and isolation with high topographic complexity, making them particularly sensitive to global change. But while spatially explicit ES quantification and valuation allows the identification of areas of abundant or limited supply of and demand for ES, the accuracy and usefulness of the information varies considerably depending on the scale and methods used. Using four case studies from mountainous regions in Europe and the U.S., we quantify information gains and losses when mapping five ES - carbon sequestration, flood regulation, agricultural production, timber harvest, and scenic beauty - at coarse and fine resolution (250 m vs. 25 m in Europe and 300 m vs. 30 m in the U.S.). We analyze the effects of scale on ES estimates and their spatial pattern and show how these effects are related to different ES, terrain structure and model properties. ES estimates differ substantially between the fine and coarse resolution analyses in all case studies and across all services. This scale effect is not equally strong for all ES. We show that spatially explicit information about non-clustered, isolated ES tends to be lost at coarse resolution and against expectation, mainly in less rugged terrain, which calls for finer resolution assessments in such contexts. The effect of terrain ruggedness is also related to model properties such as dependency on land use-land cover data. We close with recommendations for mapping ES to make the resulting maps more comparable, and suggest a four-step approach to address the issue of scale when mapping ES that can deliver information to support ES-based decision making with greater accuracy and reliability.

On the Effects of Scale for Ecosystem Services Mapping

PubMed Central

Grêt-Regamey, Adrienne; Weibel, Bettina; Bagstad, Kenneth J.; Ferrari, Marika; Geneletti, Davide; Klug, Hermann; Schirpke, Uta; Tappeiner, Ulrike

2014-01-01

Ecosystems provide life-sustaining services upon which human civilization depends, but their degradation largely continues unabated. Spatially explicit information on ecosystem services (ES) provision is required to better guide decision making, particularly for mountain systems, which are characterized by vertical gradients and isolation with high topographic complexity, making them particularly sensitive to global change. But while spatially explicit ES quantification and valuation allows the identification of areas of abundant or limited supply of and demand for ES, the accuracy and usefulness of the information varies considerably depending on the scale and methods used. Using four case studies from mountainous regions in Europe and the U.S., we quantify information gains and losses when mapping five ES - carbon sequestration, flood regulation, agricultural production, timber harvest, and scenic beauty - at coarse and fine resolution (250 m vs. 25 m in Europe and 300 m vs. 30 m in the U.S.). We analyze the effects of scale on ES estimates and their spatial pattern and show how these effects are related to different ES, terrain structure and model properties. ES estimates differ substantially between the fine and coarse resolution analyses in all case studies and across all services. This scale effect is not equally strong for all ES. We show that spatially explicit information about non-clustered, isolated ES tends to be lost at coarse resolution and against expectation, mainly in less rugged terrain, which calls for finer resolution assessments in such contexts. The effect of terrain ruggedness is also related to model properties such as dependency on land use-land cover data. We close with recommendations for mapping ES to make the resulting maps more comparable, and suggest a four-step approach to address the issue of scale when mapping ES that can deliver information to support ES-based decision making with greater accuracy and reliability. PMID:25549256

On the effects of scale for ecosystem services mapping.

PubMed

Grêt-Regamey, Adrienne; Weibel, Bettina; Bagstad, Kenneth J; Ferrari, Marika; Geneletti, Davide; Klug, Hermann; Schirpke, Uta; Tappeiner, Ulrike

2014-01-01

Ecosystems provide life-sustaining services upon which human civilization depends, but their degradation largely continues unabated. Spatially explicit information on ecosystem services (ES) provision is required to better guide decision making, particularly for mountain systems, which are characterized by vertical gradients and isolation with high topographic complexity, making them particularly sensitive to global change. But while spatially explicit ES quantification and valuation allows the identification of areas of abundant or limited supply of and demand for ES, the accuracy and usefulness of the information varies considerably depending on the scale and methods used. Using four case studies from mountainous regions in Europe and the U.S., we quantify information gains and losses when mapping five ES - carbon sequestration, flood regulation, agricultural production, timber harvest, and scenic beauty - at coarse and fine resolution (250 m vs. 25 m in Europe and 300 m vs. 30 m in the U.S.). We analyze the effects of scale on ES estimates and their spatial pattern and show how these effects are related to different ES, terrain structure and model properties. ES estimates differ substantially between the fine and coarse resolution analyses in all case studies and across all services. This scale effect is not equally strong for all ES. We show that spatially explicit information about non-clustered, isolated ES tends to be lost at coarse resolution and against expectation, mainly in less rugged terrain, which calls for finer resolution assessments in such contexts. The effect of terrain ruggedness is also related to model properties such as dependency on land use-land cover data. We close with recommendations for mapping ES to make the resulting maps more comparable, and suggest a four-step approach to address the issue of scale when mapping ES that can deliver information to support ES-based decision making with greater accuracy and reliability.

Climate modeling with decision makers in mind

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

Jones, Andrew; Calvin, Katherine; Lamarque, Jean -Francois

The need for regional- and local-scale climate information is increasing rapidly as decision makers seek to anticipate and manage a variety of context-specific climate risks over the next several decades. Furthermore, global climate models are not developed with these user needs in mind, and they typically operate at resolutions that are too coarse to provide information that could be used to support regional and local decisions.

Climate modeling with decision makers in mind

DOE PAGES

Jones, Andrew; Calvin, Katherine; Lamarque, Jean -Francois

2016-04-27

The need for regional- and local-scale climate information is increasing rapidly as decision makers seek to anticipate and manage a variety of context-specific climate risks over the next several decades. Furthermore, global climate models are not developed with these user needs in mind, and they typically operate at resolutions that are too coarse to provide information that could be used to support regional and local decisions.

Multi-Decadal Pathfinder Data Sets of Global Land Biophysical Variables from AVHRR and MODIS and their Use in GCM Studies of Biogeophysics and Biogeochemistry

NASA Technical Reports Server (NTRS)

Myneni, Ranga

2003-01-01

The problem of how the scale, or spatial resolution, of reflectance data impacts retrievals of vegetation leaf area index (LAI) and fraction absorbed photosynthetically active radiation (PAR) has been investigated. We define the goal of scaling as the process by which it is established that LAI and FPAR values derived from coarse resolution sensor data equal the arithmetic average of values derived independently from fine resolution sensor data. The increasing probability of land cover mixtures with decreasing resolution is defined as heterogeneity, which is a key concept in scaling studies. The effect of pixel heterogeneity on spectral reflectances and LAI/FPAR retrievals is investigated with 1 km Advanced Very High Resolution Radiometer (AVHRR) data aggregated to different coarse spatial resolutions. It is shown that LAI retrieval errors at coarse resolution are inversely related to the proportion of the dominant land cover in such pixel. Further, large errors in LAI retrievals are incurred when forests are minority biomes in non-forest pixels compared to when forest biomes are mixed with one another, and vice-versa. A physically based technique for scaling with explicit spatial resolution dependent radiative transfer formulation is developed. The successful application of this theory to scaling LAI retrievals from AVHRR data of different resolutions is demonstrated

Modeled Full-Flight Aircraft Emissions Impacts on Air Quality and Their Sensitivity to Grid Resolution

NASA Astrophysics Data System (ADS)

Vennam, L. P.; Vizuete, W.; Talgo, K.; Omary, M.; Binkowski, F. S.; Xing, J.; Mathur, R.; Arunachalam, S.

2017-12-01

Aviation is a unique anthropogenic source with four-dimensional varying emissions, peaking at cruise altitudes (9-12 km). Aircraft emission budgets in the upper troposphere lower stratosphere region and their potential impacts on upper troposphere and surface air quality are not well understood. Our key objective is to use chemical transport models (with prescribed meteorology) to predict aircraft emissions impacts on the troposphere and surface air quality. We quantified the importance of including full-flight intercontinental emissions and increased horizontal grid resolution. The full-flight aviation emissions in the Northern Hemisphere contributed 1.3% (mean, min-max: 0.46, 0.3-0.5 ppbv) and 0.2% (0.013, 0.004-0.02 μg/m3) of total O3 and PM2.5 concentrations at the surface, with Europe showing slightly higher impacts (1.9% (O3 0.69, 0.5-0.85 ppbv) and 0.5% (PM2.5 0.03, 0.01-0.05 μg/m3)) than North America (NA) and East Asia. We computed seasonal aviation-attributable mass flux vertical profiles and aviation perturbations along isentropic surfaces to quantify the transport of cruise altitude emissions at the hemispheric scale. The comparison of coarse (108 × 108 km2) and fine (36 × 36 km2) grid resolutions in NA showed 70 times and 13 times higher aviation impacts for O3 and PM2.5 in coarser domain. These differences are mainly due to the inability of the coarse resolution simulation to capture nonlinearities in chemical processes near airport locations and other urban areas. Future global studies quantifying aircraft contributions should consider model resolution and perhaps use finer scales near major aviation source regions.

Modeled Full-Flight Aircraft Emissions Impacts on Air Quality and Their Sensitivity to Grid Resolution

PubMed Central

Vennam, L. P.; Vizuete, W.; Talgo, K.; Omary, M.; Binkowski, F. S.; Xing, J.; Mathur, R.; Arunachalam, S.

2018-01-01

Aviation is a unique anthropogenic source with four-dimensional varying emissions, peaking at cruise altitudes (9–12 km). Aircraft emission budgets in the upper troposphere lower stratosphere region and their potential impacts on upper troposphere and surface air quality are not well understood. Our key objective is to use chemical transport models (with prescribed meteorology) to predict aircraft emissions impacts on the troposphere and surface air quality. We quantified the importance of including full-flight intercontinental emissions and increased horizontal grid resolution. The full-flight aviation emissions in the Northern Hemisphere contributed ~1.3% (mean, min–max: 0.46, 0.3–0.5 ppbv) and 0.2% (0.013, 0.004–0.02 μg/m3) of total O3 and PM2.5 concentrations at the surface, with Europe showing slightly higher impacts (1.9% (O3 0.69, 0.5–0.85 ppbv) and 0.5% (PM2.5 0.03, 0.01–0.05 μg/m3)) than North America (NA) and East Asia. We computed seasonal aviation-attributable mass flux vertical profiles and aviation perturbations along isentropic surfaces to quantify the transport of cruise altitude emissions at the hemispheric scale. The comparison of coarse (108 × 108 km2) and fine (36 × 36 km2) grid resolutions in NA showed ~70 times and ~13 times higher aviation impacts for O3 and PM2.5 in coarser domain. These differences are mainly due to the inability of the coarse resolution simulation to capture nonlinearities in chemical processes near airport locations and other urban areas. Future global studies quantifying aircraft contributions should consider model resolution and perhaps use finer scales near major aviation source regions. PMID:29707471

Modeled Full-Flight Aircraft Emissions Impacts on Air Quality and Their Sensitivity to Grid Resolution.

PubMed

Vennam, L P; Vizuete, W; Talgo, K; Omary, M; Binkowski, F S; Xing, J; Mathur, R; Arunachalam, S

2017-01-01

Aviation is a unique anthropogenic source with four-dimensional varying emissions, peaking at cruise altitudes (9-12 km). Aircraft emission budgets in the upper troposphere lower stratosphere region and their potential impacts on upper troposphere and surface air quality are not well understood. Our key objective is to use chemical transport models (with prescribed meteorology) to predict aircraft emissions impacts on the troposphere and surface air quality. We quantified the importance of including full-flight intercontinental emissions and increased horizontal grid resolution. The full-flight aviation emissions in the Northern Hemisphere contributed ~1.3% (mean, min-max: 0.46, 0.3-0.5 ppbv) and 0.2% (0.013, 0.004-0.02 μg/m 3 ) of total O 3 and PM 2.5 concentrations at the surface, with Europe showing slightly higher impacts (1.9% (O 3 0.69, 0.5-0.85 ppbv) and 0.5% (PM 2.5 0.03, 0.01-0.05 μg/m 3 )) than North America (NA) and East Asia. We computed seasonal aviation-attributable mass flux vertical profiles and aviation perturbations along isentropic surfaces to quantify the transport of cruise altitude emissions at the hemispheric scale. The comparison of coarse (108 × 108 km 2 ) and fine (36 × 36 km 2 ) grid resolutions in NA showed ~70 times and ~13 times higher aviation impacts for O 3 and PM 2.5 in coarser domain. These differences are mainly due to the inability of the coarse resolution simulation to capture nonlinearities in chemical processes near airport locations and other urban areas. Future global studies quantifying aircraft contributions should consider model resolution and perhaps use finer scales near major aviation source regions.

Unconstrained Structure Formation in Coarse-Grained Protein Simulations

NASA Astrophysics Data System (ADS)

Bereau, Tristan

The ability of proteins to fold into well-defined structures forms the basis of a wide variety of biochemical functions in and out of the cell membrane. Many of these processes, however, operate at time- and length-scales that are currently unattainable by all-atom computer simulations. To cope with this difficulty, increasingly more accurate and sophisticated coarse-grained models are currently being developed. In the present thesis, we introduce a solvent-free coarse-grained model for proteins. Proteins are modeled by four beads per amino acid, providing enough backbone resolution to allow for accurate sampling of local conformations. It relies on simple interactions that emphasize structure, such as hydrogen bonds and hydrophobicity. Realistic alpha/beta content is achieved by including an effective nearest-neighbor dipolar interaction. Parameters are tuned to reproduce both local conformations and tertiary structures. By studying both helical and extended conformations we make sure the force field is not biased towards any particular secondary structure. Without any further adjustments or bias a realistic oligopeptide aggregation scenario is observed. The model is subsequently applied to various biophysical problems: (i) kinetics of folding of two model peptides, (ii) large-scale amyloid-beta oligomerization, and (iii) protein folding cooperativity. The last topic---defined by the nature of the finite-size thermodynamic transition exhibited upon folding---was investigated from a microcanonical perspective: the accurate evaluation of the density of states can unambiguously characterize the nature of the transition, unlike its corresponding canonical analysis. Extending the results of lattice simulations and theoretical models, we find that it is the interplay between secondary structure and the loss of non-native tertiary contacts which determines the nature of the transition. Finally, we combine the peptide model with a high-resolution, solvent-free, lipid model. The lipid force field was systematically tuned to reproduce the structural and mechanical properties of phosphatidylcholine bilayers. The two models were cross-parametrized against atomistic potential of mean force curves for the insertion of single amino acid side chains into a bilayer. Coarse-grained transmembrane protein simulations were then compared with experiments and atomistic simulations to validate the force field. The transferability of the two models across amino acid sequences and lipid species permits the investigation of a wide variety of scenarios, while the absence of explicit solvent allows for studies of large-scale phenomena.

Validation of non-stationary precipitation series for site-specific impact assessment: Comparison of two statistical downscaling techniques

USDA-ARS?s Scientific Manuscript database

The generation of realistic future precipitation scenarios is crucial for assessing their impacts on a range of environmental and socio-economic impact sectors. A scale mismatch exists, however, between the coarse spatial resolution at which global climate models (GCMs) output future climate scenari...

Development of a MODIS-Derived Surface Albedo Data Set: An Improved Model Input for Processing the NSRDB

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

Maclaurin, Galen; Sengupta, Manajit; Xie, Yu

A significant source of bias in the transposition of global horizontal irradiance to plane-of-array (POA) irradiance arises from inaccurate estimations of surface albedo. The current physics-based model used to produce the National Solar Radiation Database (NSRDB) relies on model estimations of surface albedo from a reanalysis climatalogy produced at relatively coarse spatial resolution compared to that of the NSRDB. As an input to spectral decomposition and transposition models, more accurate surface albedo data from remotely sensed imagery at finer spatial resolutions would improve accuracy in the final product. The National Renewable Energy Laboratory (NREL) developed an improved white-sky (bi-hemispherical reflectance)more » broadband (0.3-5.0 ..mu..m) surface albedo data set for processing the NSRDB from two existing data sets: a gap-filled albedo product and a daily snow cover product. The Moderate Resolution Imaging Spectroradiometer (MODIS) sensors onboard the Terra and Aqua satellites have provided high-quality measurements of surface albedo at 30 arc-second spatial resolution and 8-day temporal resolution since 2001. The high spatial and temporal resolutions and the temporal coverage of the MODIS sensor will allow for improved modeling of POA irradiance in the NSRDB. However, cloud and snow cover interfere with MODIS observations of ground surface albedo, and thus they require post-processing. The MODIS production team applied a gap-filling methodology to interpolate observations obscured by clouds or ephemeral snow. This approach filled pixels with ephemeral snow cover because the 8-day temporal resolution is too coarse to accurately capture the variability of snow cover and its impact on albedo estimates. However, for this project, accurate representation of daily snow cover change is important in producing the NSRDB. Therefore, NREL also used the Integrated Multisensor Snow and Ice Mapping System data set, which provides daily snow cover observations of the Northern Hemisphere for the temporal extent of the NSRDB (1998-2015). We provide a review of validation studies conducted on these two products and describe the methodology developed by NREL to remap the data products to the NSRDB grid and integrate them into a seamless daily data set.« less

Testing MODFLOW-LGR for simulating flow around buried Quaternary valleys - synthetic test cases

NASA Astrophysics Data System (ADS)

Vilhelmsen, T. N.; Christensen, S.

2009-12-01

In this study the Local Grid Refinement (LGR) method developed for MODFLOW-2005 (Mehl and Hill, 2005) is utilized to describe groundwater flow in areas containing buried Quaternary valley structures. The tests are conducted as comparative analysis between simulations run with a globally refined model, a locally refined model, and a globally coarse model, respectively. The models vary from simple one layer models to more complex ones with up to 25 model layers. The comparisons of accuracy are conducted within the locally refined area and focus on water budgets, simulated heads, and simulated particle traces. Simulations made with the globally refined model are used as reference (regarded as “true” values). As expected, for all test cases the application of local grid refinement resulted in more accurate results than when using the globally coarse model. A significant advantage of utilizing MODFLOW-LGR was that it allows increased numbers of model layers to better resolve complex geology within local areas. This resulted in more accurate simulations than when using either a globally coarse model grid or a locally refined model with lower geological resolution. Improved accuracy in the latter case could not be expected beforehand because difference in geological resolution between the coarse parent model and the refined child model contradicts the assumptions of the Darcy weighted interpolation used in MODFLOW-LGR. With respect to model runtimes, it was sometimes found that the runtime for the locally refined model is much longer than for the globally refined model. This was the case even when the closure criteria were relaxed compared to the globally refined model. These results are contradictory to those presented by Mehl and Hill (2005). Furthermore, in the complex cases it took some testing (model runs) to identify the closure criteria and the damping factor that secured convergence, accurate solutions, and reasonable runtimes. For our cases this is judged to be a serious disadvantage of applying MODFLOW-LGR. Another disadvantage in the studied cases was that the MODFLOW-LGR results proved to be somewhat dependent on the correction method used at the parent-child model interface. This indicates that when applying MODFLOW-LGR there is a need for thorough and case-specific considerations regarding choice of correction method. References: Mehl, S. and M. C. Hill (2005). "MODFLOW-2005, THE U.S. GEOLOGICAL SURVEY MODULAR GROUND-WATER MODEL - DOCUMENTATION OF SHARED NODE LOCAL GRID REFINEMENT (LGR) AND THE BOUNDARY FLOW AND HEAD (BFH) PACKAGE " U.S. Geological Survey Techniques and Methods 6-A12

Can we trust climate models to realistically represent severe European windstorms?

NASA Astrophysics Data System (ADS)

Trzeciak, Tomasz M.; Knippertz, Peter; Pirret, Jennifer S. R.; Williams, Keith D.

2016-06-01

Cyclonic windstorms are one of the most important natural hazards for Europe, but robust climate projections of the position and the strength of the North Atlantic storm track are not yet possible, bearing significant risks to European societies and the (re)insurance industry. Previous studies addressing the problem of climate model uncertainty through statistical comparisons of simulations of the current climate with (re-)analysis data show large disagreement between different climate models, different ensemble members of the same model and observed climatologies of intense cyclones. One weakness of such evaluations lies in the difficulty to separate influences of the climate model's basic state from the influence of fast processes on the development of the most intense storms, which could create compensating effects and therefore suggest higher reliability than there really is. This work aims to shed new light into this problem through a cost-effective "seamless" approach of hindcasting 20 historical severe storms with the two global climate models, ECHAM6 and GA4 configuration of the Met Office Unified Model, run in a numerical weather prediction mode using different lead times, and horizontal and vertical resolutions. These runs are then compared to re-analysis data. The main conclusions from this work are: (a) objectively identified cyclone tracks are represented satisfactorily by most hindcasts; (b) sensitivity to vertical resolution is low; (c) cyclone depth is systematically under-predicted for a coarse resolution of T63 by both climate models; (d) no systematic bias is found for the higher resolution of T127 out to about three days, demonstrating that climate models are in fact able to represent the complex dynamics of explosively deepening cyclones well, if given the correct initial conditions; (e) an analysis using a recently developed diagnostic tool based on the surface pressure tendency equation points to too weak diabatic processes, mainly latent heating, as the main source for the under-prediction in the coarse-resolution runs. Finally, an interesting implication of these results is that the too low number of deep cyclones in many free-running climate simulations may therefore be related to an insufficient number of storm-prone initial conditions. This question will be addressed in future work.

Consistent View of Protein Fluctuations from All-Atom Molecular Dynamics and Coarse-Grained Dynamics with Knowledge-Based Force-Field.

PubMed

Jamroz, Michal; Orozco, Modesto; Kolinski, Andrzej; Kmiecik, Sebastian

2013-01-08

It is widely recognized that atomistic Molecular Dynamics (MD), a classical simulation method, captures the essential physics of protein dynamics. That idea is supported by a theoretical study showing that various MD force-fields provide a consensus picture of protein fluctuations in aqueous solution [Rueda, M. et al. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 796-801]. However, atomistic MD cannot be applied to most biologically relevant processes due to its limitation to relatively short time scales. Much longer time scales can be accessed by properly designed coarse-grained models. We demonstrate that the aforementioned consensus view of protein dynamics from short (nanosecond) time scale MD simulations is fairly consistent with the dynamics of the coarse-grained protein model - the CABS model. The CABS model employs stochastic dynamics (a Monte Carlo method) and a knowledge-based force-field, which is not biased toward the native structure of a simulated protein. Since CABS-based dynamics allows for the simulation of entire folding (or multiple folding events) in a single run, integration of the CABS approach with all-atom MD promises a convenient (and computationally feasible) means for the long-time multiscale molecular modeling of protein systems with atomistic resolution.

A Structured and Unstructured grid Relocatable ocean platform for Forecasting (SURF)

NASA Astrophysics Data System (ADS)

Trotta, Francesco; Fenu, Elisa; Pinardi, Nadia; Bruciaferri, Diego; Giacomelli, Luca; Federico, Ivan; Coppini, Giovanni

2016-11-01

We present a numerical platform named Structured and Unstructured grid Relocatable ocean platform for Forecasting (SURF). The platform is developed for short-time forecasts and is designed to be embedded in any region of the large-scale Mediterranean Forecasting System (MFS) via downscaling. We employ CTD data collected during a campaign around the Elba island to calibrate and validate SURF. The model requires an initial spin up period of a few days in order to adapt the initial interpolated fields and the subsequent solutions to the higher-resolution nested grids adopted by SURF. Through a comparison with the CTD data, we quantify the improvement obtained by SURF model compared to the coarse-resolution MFS model.

The Discrepancy Between Measured and Modeled Downwelling Solar Irradiance at the Ground: Dependence on Water Vapor

NASA Technical Reports Server (NTRS)

Pilewski, P.; Rabbette, M.; Bergstrom, R.; Marquez, J.; Schmid, B.; Russell, P. B.

2000-01-01

Moderate resolution spectra of the downwelling solar irradiance at the ground in north central Oklahoma were measured during the Department of Energy Atmospheric Radiation Measurement Program Intensive Observation Period in the fall of 1997. Spectra obtained under-cloud-free conditions were compared with calculations using a coarse resolution radiative transfer model to examine the dependency of model-measurement bias on water vapor. It was found that the bias was highly correlated with water vapor and increased at a rate of 9 Wm per cm of water. The source of the discrepancy remains undetermined because of the complex dependencies of other variables, most notably aerosol optical depth, on water vapor.

The Discrepancy Between Measured and Modeled Downwelling Solar Irradiance at the Ground: Dependence on Water Vapor

NASA Technical Reports Server (NTRS)

Pilewskie, P.; Rabbette, M.; Bergstrom, R.; Marquez, J.; Schmid, B.; Russell, P. B.

2000-01-01

Moderate resolution spectra of the downwelling solar irradiance at the ground in north central Oklahoma were measured during the Department of Energy Atmospheric Radiation Measurement Program Intensive Observation Period in the fall of 1997. Spectra obtained under cloud-free conditions were compared with calculations using a coarse resolution radiative transfer model to examine the dependency of model-measurement bias on water vapor. It was found that the bias was highly correlated with water vapor and increased at a rate of 9 Wm(exp -2) per cm of water. The source of the discrepancy remains undetermined because of the complex dependencies of other variables, most notably aerosol optical depth, on water vapor.

Downscaling modelling system for multi-scale air quality forecasting

NASA Astrophysics Data System (ADS)

Nuterman, R.; Baklanov, A.; Mahura, A.; Amstrup, B.; Weismann, J.

2010-09-01

Urban modelling for real meteorological situations, in general, considers only a small part of the urban area in a micro-meteorological model, and urban heterogeneities outside a modelling domain affect micro-scale processes. Therefore, it is important to build a chain of models of different scales with nesting of higher resolution models into larger scale lower resolution models. Usually, the up-scaled city- or meso-scale models consider parameterisations of urban effects or statistical descriptions of the urban morphology, whereas the micro-scale (street canyon) models are obstacle-resolved and they consider a detailed geometry of the buildings and the urban canopy. The developed system consists of the meso-, urban- and street-scale models. First, it is the Numerical Weather Prediction (HIgh Resolution Limited Area Model) model combined with Atmospheric Chemistry Transport (the Comprehensive Air quality Model with extensions) model. Several levels of urban parameterisation are considered. They are chosen depending on selected scales and resolutions. For regional scale, the urban parameterisation is based on the roughness and flux corrections approach; for urban scale - building effects parameterisation. Modern methods of computational fluid dynamics allow solving environmental problems connected with atmospheric transport of pollutants within urban canopy in a presence of penetrable (vegetation) and impenetrable (buildings) obstacles. For local- and micro-scales nesting the Micro-scale Model for Urban Environment is applied. This is a comprehensive obstacle-resolved urban wind-flow and dispersion model based on the Reynolds averaged Navier-Stokes approach and several turbulent closures, i.e. k -ɛ linear eddy-viscosity model, k - ɛ non-linear eddy-viscosity model and Reynolds stress model. Boundary and initial conditions for the micro-scale model are used from the up-scaled models with corresponding interpolation conserving the mass. For the boundaries a kind of Dirichlet condition is chosen to provide the values based on interpolation from the coarse to the fine grid. When the roughness approach is changed to the obstacle-resolved one in the nested model, the interpolation procedure will increase the computational time (due to additional iterations) for meteorological/ chemical fields inside the urban sub-layer. In such situations, as a possible alternative, the perturbation approach can be applied. Here, the effects of main meteorological variables and chemical species are considered as a sum of two components: background (large-scale) values, described by the coarse-resolution model, and perturbations (micro-scale) features, obtained from the nested fine resolution model.

Robustness of movement models: can models bridge the gap between temporal scales of data sets and behavioural processes?

PubMed

Schlägel, Ulrike E; Lewis, Mark A

2016-12-01

Discrete-time random walks and their extensions are common tools for analyzing animal movement data. In these analyses, resolution of temporal discretization is a critical feature. Ideally, a model both mirrors the relevant temporal scale of the biological process of interest and matches the data sampling rate. Challenges arise when resolution of data is too coarse due to technological constraints, or when we wish to extrapolate results or compare results obtained from data with different resolutions. Drawing loosely on the concept of robustness in statistics, we propose a rigorous mathematical framework for studying movement models' robustness against changes in temporal resolution. In this framework, we define varying levels of robustness as formal model properties, focusing on random walk models with spatially-explicit component. With the new framework, we can investigate whether models can validly be applied to data across varying temporal resolutions and how we can account for these different resolutions in statistical inference results. We apply the new framework to movement-based resource selection models, demonstrating both analytical and numerical calculations, as well as a Monte Carlo simulation approach. While exact robustness is rare, the concept of approximate robustness provides a promising new direction for analyzing movement models.

Coarse Resolution SAR Imagery to Support Flood Inundation Models in Near Real Time

NASA Astrophysics Data System (ADS)

Di Baldassarre, Giuliano; Schumann, Guy; Brandimarte, Luigia; Bates, Paul

2009-11-01

In recent years, the availability of new emerging data (e.g. remote sensing, intelligent wireless sensors, etc) has led to a sudden shift from a data-sparse to a data-rich environment for hydrological and hydraulic modelling. Furthermore, the increased socioeconomic relevance of river flood studies has motivated the development of complex methodologies for the simulation of the hydraulic behaviour of river systems. In this context, this study aims at assessing the capability of coarse resolution SAR (Synthetic Aperture Radar) imagery to support and quickly validate flood inundation models in near real time. A hydraulic model of a 98km reach of the River Po (Italy), previously calibrated on a high-magnitude flood event with extensive and high quality field data, is tested using a SAR flood image, acquired and processed in near real time, during the June 2008 low-magnitude event. Specifically, the image is an acquisition by the ENVISAT-ASAR sensor in wide swath mode and has been provided through ESA (European Space Agency) Fast Registration system at no cost 24 hours after the acquisition. The study shows that the SAR image enables validation and improvement of the model in a time shorter than the flood travel time. This increases the reliability of model predictions (e.g. water elevation and inundation width along the river reach) and, consequently, assists flood management authorities in undertaking the necessary prevention activities.

ERS-1 SAR and SSM/I Data in the Greenland Sea Odden Region Used with Numerical Simulations to Identify and Monitor Ocean Convection

NASA Technical Reports Server (NTRS)

Carsey, Frank D.; Garwood, Ronald W.; Roach, Andrew T.

1993-01-01

In this paper we present an interpretation of coarse resolution passive microwave data for 1989 and 1992 in the context of a simple model of ice-edge retreat to obtain the Nordbukta emayment growth and the formation and migration of an Odden polynya.

Geospatial assessment of ecological functions and flood-related risks on floodplains along major rivers in the Puget Sound Basin, Washington

USGS Publications Warehouse

Konrad, Christopher P.

2015-01-01

Ecological functions and flood-related risks were assessed for floodplains along the 17 major rivers flowing into Puget Sound Basin, Washington. The assessment addresses five ecological functions, five components of flood-related risks at two spatial resolutions—fine and coarse. The fine-resolution assessment compiled spatial attributes of floodplains from existing, publically available sources and integrated the attributes into 10-meter rasters for each function, hazard, or exposure. The raster values generally represent different types of floodplains with regard to each function, hazard, or exposure rather than the degree of function, hazard, or exposure. The coarse-resolution assessment tabulates attributes from the fine-resolution assessment for larger floodplain units, which are floodplains associated with 0.1 to 21-kilometer long segments of major rivers. The coarse-resolution assessment also derives indices that can be used to compare function or risk among different floodplain units and to develop normative (based on observed distributions) standards. The products of the assessment are available online as geospatial datasets (Konrad, 2015; http://dx.doi.org/10.5066/F7DR2SJC).

Combining Coarse-Grained Protein Models with Replica-Exchange All-Atom Molecular Dynamics

PubMed Central

Wabik, Jacek; Kmiecik, Sebastian; Gront, Dominik; Kouza, Maksim; Koliński, Andrzej

2013-01-01

We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a model system of protein folding. After reconstructing atomistic details, conformations derived from the CABS simulation were subjected to replica-exchange molecular dynamics simulations with OPLS-AA and AMBER99sb force fields in explicit solvent. Such a combination accelerates system convergence several times in comparison with all-atom simulations starting from the extended chain conformation, demonstrated by the analysis of melting curves, the number of native-like conformations as a function of time and secondary structure propagation. The results strongly suggest that the proposed multiscale method could be an efficient and accurate tool for high-resolution studies of protein folding dynamics in larger systems. PMID:23665897

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.

Extended-range high-resolution dynamical downscaling over a continental-scale spatial domain with atmospheric and surface nudging

NASA Astrophysics Data System (ADS)

Husain, S. Z.; Separovic, L.; Yu, W.; Fernig, D.

2014-12-01

Extended-range high-resolution mesoscale simulations with limited-area atmospheric models when applied to downscale regional analysis fields over large spatial domains can provide valuable information for many applications including the weather-dependent renewable energy industry. Long-term simulations over a continental-scale spatial domain, however, require mechanisms to control the large-scale deviations in the high-resolution simulated fields from the coarse-resolution driving fields. As enforcement of the lateral boundary conditions is insufficient to restrict such deviations, large scales in the simulated high-resolution meteorological fields are therefore spectrally nudged toward the driving fields. Different spectral nudging approaches, including the appropriate nudging length scales as well as the vertical profiles and temporal relaxations for nudging, have been investigated to propose an optimal nudging strategy. Impacts of time-varying nudging and generation of hourly analysis estimates are explored to circumvent problems arising from the coarse temporal resolution of the regional analysis fields. Although controlling the evolution of the atmospheric large scales generally improves the outputs of high-resolution mesoscale simulations within the surface layer, the prognostically evolving surface fields can nevertheless deviate from their expected values leading to significant inaccuracies in the predicted surface layer meteorology. A forcing strategy based on grid nudging of the different surface fields, including surface temperature, soil moisture, and snow conditions, toward their expected values obtained from a high-resolution offline surface scheme is therefore proposed to limit any considerable deviation. Finally, wind speed and temperature at wind turbine hub height predicted by different spectrally nudged extended-range simulations are compared against observations to demonstrate possible improvements achievable using higher spatiotemporal resolution.

High Resolution Surface Geometry and Albedo by Combining Laser Altimetry and Visible Images

NASA Technical Reports Server (NTRS)

Morris, Robin D.; vonToussaint, Udo; Cheeseman, Peter C.; Clancy, Daniel (Technical Monitor)

2001-01-01

The need for accurate geometric and radiometric information over large areas has become increasingly important. Laser altimetry is one of the key technologies for obtaining this geometric information. However, there are important application areas where the observing platform has its orbit constrained by the other instruments it is carrying, and so the spatial resolution that can be recorded by the laser altimeter is limited. In this paper we show how information recorded by one of the other instruments commonly carried, a high-resolution imaging camera, can be combined with the laser altimeter measurements to give a high resolution estimate both of the surface geometry and its reflectance properties. This estimate has an accuracy unavailable from other interpolation methods. We present the results from combining synthetic laser altimeter measurements on a coarse grid with images generated from a surface model to re-create the surface model.

Dual-resolution dose assessments for proton beamlet using MCNPX 2.6.0

NASA Astrophysics Data System (ADS)

Chao, T. C.; Wei, S. C.; Wu, S. W.; Tung, C. J.; Tu, S. J.; Cheng, H. W.; Lee, C. C.

2015-11-01

The purpose of this study is to access proton dose distribution in dual resolution phantoms using MCNPX 2.6.0. The dual resolution phantom uses higher resolution in Bragg peak, area near large dose gradient, or heterogeneous interface and lower resolution in the rest. MCNPX 2.6.0 was installed in Ubuntu 10.04 with MPI for parallel computing. FMesh1 tallies were utilized to record the energy deposition which is a special designed tally for voxel phantoms that converts dose deposition from fluence. 60 and 120 MeV narrow proton beam were incident into Coarse, Dual and Fine resolution phantoms with pure water, water-bone-water and water-air-water setups. The doses in coarse resolution phantoms are underestimated owing to partial volume effect. The dose distributions in dual or high resolution phantoms agreed well with each other and dual resolution phantoms were at least 10 times more efficient than fine resolution one. Because the secondary particle range is much longer in air than in water, the dose of low density region may be under-estimated if the resolution or calculation grid is not small enough.

Spatial, spectral and temporal patterns of tropical forest cover change as observed with multiple scales of optical satellite data.

Treesearch

D.J. Hayes; W.B. Cohen

2006-01-01

This article describes the development of a methodology for scaling observations of changes in tropical forest cover to large areas at high temporal frequency from coarse-resolution satellite imagery. The approach for estimating proportional forest cover change as a continuous variable is based on a regression model that relates multispectral, multitemporal Moderate...

A combined coarse-grained and all-atom simulation of TRPV1 channel gating and heat activation

PubMed Central

Qin, Feng

2015-01-01

The transient receptor potential (TRP) channels act as key sensors of various chemical and physical stimuli in eukaryotic cells. Despite years of study, the molecular mechanisms of TRP channel activation remain unclear. To elucidate the structural, dynamic, and energetic basis of gating in TRPV1 (a founding member of the TRPV subfamily), we performed coarse-grained modeling and all-atom molecular dynamics (MD) simulation based on the recently solved high resolution structures of the open and closed form of TRPV1. Our coarse-grained normal mode analysis captures two key modes of collective motions involved in the TRPV1 gating transition, featuring a quaternary twist motion of the transmembrane domains (TMDs) relative to the intracellular domains (ICDs). Our transition pathway modeling predicts a sequence of structural movements that propagate from the ICDs to the TMDs via key interface domains (including the membrane proximal domain and the C-terminal domain), leading to sequential opening of the selectivity filter followed by the lower gate in the channel pore (confirmed by modeling conformational changes induced by the activation of ICDs). The above findings of coarse-grained modeling are robust to perturbation by lipids. Finally, our MD simulation of the ICD identifies key residues that contribute differently to the nonpolar energy of the open and closed state, and these residues are predicted to control the temperature sensitivity of TRPV1 gating. These computational predictions offer new insights to the mechanism for heat activation of TRPV1 gating, and will guide our future electrophysiology and mutagenesis studies. PMID:25918362

Self-similarity and flow characteristics of vertical-axis wind turbine wakes: an LES study

NASA Astrophysics Data System (ADS)

Abkar, Mahdi; Dabiri, John O.

2017-04-01

Large eddy simulation (LES) is coupled with a turbine model to study the structure of the wake behind a vertical-axis wind turbine (VAWT). In the simulations, a tuning-free anisotropic minimum dissipation model is used to parameterise the subfilter stress tensor, while the turbine-induced forces are modelled with an actuator line technique. The LES framework is first validated in the simulation of the wake behind a model straight-bladed VAWT placed in the water channel and then used to study the wake structure downwind of a full-scale VAWT sited in the atmospheric boundary layer. In particular, the self-similarity of the wake is examined, and it is found that the wake velocity deficit can be well characterised by a two-dimensional multivariate Gaussian distribution. By assuming a self-similar Gaussian distribution of the velocity deficit, and applying mass and momentum conservation, an analytical model is developed and tested to predict the maximum velocity deficit downwind of the turbine. Also, a simple parameterisation of VAWTs for LES with very coarse grid resolutions is proposed, in which the turbine is modelled as a rectangular porous plate with the same thrust coefficient. The simulation results show that, after some downwind distance (x/D ≈ 6), both actuator line and rectangular porous plate models have similar predictions for the mean velocity deficit. These results are of particular importance in simulations of large wind farms where, due to the coarse spatial resolution, the flow around individual VAWTs is not resolved.

High-resolution surface analysis for extended-range downscaling with limited-area atmospheric models

NASA Astrophysics Data System (ADS)

Separovic, Leo; Husain, Syed Zahid; Yu, Wei; Fernig, David

2014-12-01

High-resolution limited-area model (LAM) simulations are frequently employed to downscale coarse-resolution objective analyses over a specified area of the globe using high-resolution computational grids. When LAMs are integrated over extended time frames, from months to years, they are prone to deviations in land surface variables that can be harmful to the quality of the simulated near-surface fields. Nudging of the prognostic surface fields toward a reference-gridded data set is therefore devised in order to prevent the atmospheric model from diverging from the expected values. This paper presents a method to generate high-resolution analyses of land-surface variables, such as surface canopy temperature, soil moisture, and snow conditions, to be used for the relaxation of lower boundary conditions in extended-range LAM simulations. The proposed method is based on performing offline simulations with an external surface model, forced with the near-surface meteorological fields derived from short-range forecast, operational analyses, and observed temperatures and humidity. Results show that the outputs of the surface model obtained in the present study have potential to improve the near-surface atmospheric fields in extended-range LAM integrations.

Multi-resolution statistical image reconstruction for mitigation of truncation effects: application to cone-beam CT of the head

NASA Astrophysics Data System (ADS)

Dang, Hao; Webster Stayman, J.; Sisniega, Alejandro; Zbijewski, Wojciech; Xu, Jennifer; Wang, Xiaohui; Foos, David H.; Aygun, Nafi; Koliatsos, Vassilis E.; Siewerdsen, Jeffrey H.

2017-01-01

A prototype cone-beam CT (CBCT) head scanner featuring model-based iterative reconstruction (MBIR) has been recently developed and demonstrated the potential for reliable detection of acute intracranial hemorrhage (ICH), which is vital to diagnosis of traumatic brain injury and hemorrhagic stroke. However, data truncation (e.g. due to the head holder) can result in artifacts that reduce image uniformity and challenge ICH detection. We propose a multi-resolution MBIR method with an extended reconstruction field of view (RFOV) to mitigate truncation effects in CBCT of the head. The image volume includes a fine voxel size in the (inner) nontruncated region and a coarse voxel size in the (outer) truncated region. This multi-resolution scheme allows extension of the RFOV to mitigate truncation effects while introducing minimal increase in computational complexity. The multi-resolution method was incorporated in a penalized weighted least-squares (PWLS) reconstruction framework previously developed for CBCT of the head. Experiments involving an anthropomorphic head phantom with truncation due to a carbon-fiber holder were shown to result in severe artifacts in conventional single-resolution PWLS, whereas extending the RFOV within the multi-resolution framework strongly reduced truncation artifacts. For the same extended RFOV, the multi-resolution approach reduced computation time compared to the single-resolution approach (viz. time reduced by 40.7%, 83.0%, and over 95% for an image volume of 6003, 8003, 10003 voxels). Algorithm parameters (e.g. regularization strength, the ratio of the fine and coarse voxel size, and RFOV size) were investigated to guide reliable parameter selection. The findings provide a promising method for truncation artifact reduction in CBCT and may be useful for other MBIR methods and applications for which truncation is a challenge.

Multibeam observations of mine burial near Clearwater, FL, including comparisons to predictions of wave-induced burial

USGS Publications Warehouse

Wolfson, M.L.; Naar, D.F.; Howd, P.A.; Locker, S.D.; Donahue, B.T.; Friedrichs, Carl T.; Trembanis, A.C.; Richardson, M.D.; Wever, T.F.

2007-01-01

A Kongsberg Simrad EM 3000 multibeam sonar (Kongsberg Simrad, Kongsberg, Norway) was used to conduct a set of six repeat high-resolution bathymetric surveys west of Indian Rocks Beach (IRB), just to the south of Clearwater, FL, between January and March 2003, to observe in situ scour and burial of instrumented inert mines and mine-like cylinders. Three closely located study sites were chosen: two fine-sand sites, a shallow one located in ??? 13 m of water depth and a deep site located in ???14 m of water depth; and a coarse-sand site in ???13 m. Results from these surveys indicate that mines deployed in fine sand are nearly buried within two months of deployment (i.e., they sunk 74.5% or more below the ambient seafloor depth). Mines deployed in coarse sand showed a lesser amount of scour, burying until they present roughly the same hydrodynamic roughness as the surrounding rippled bedforms. These data were also used to test the validity of the Virginia Institute of Marine Science (VIMS, Gloucester Point, VA) 2-D burial model. The model worked well in areas of fine sand, sufficiently predicting burial over the course of the experiment. In the area of coarse sand, the model greatly overpredicted the amount of burial. This is believed to be due to the presence of rippled bedforms around the mines, which affect local bottom morphodynamics and are not accounted for in the model, an issue currently being addressed by the modelers. This paper focuses specifically on two instrumented mines: an acoustic mine located in fine sand and an optical instrumented mine located in coarse sand. ?? 2007 IEEE.

A downscaling scheme for atmospheric variables to drive soil-vegetation-atmosphere transfer models

NASA Astrophysics Data System (ADS)

Schomburg, A.; Venema, V.; Lindau, R.; Ament, F.; Simmer, C.

2010-09-01

For driving soil-vegetation-transfer models or hydrological models, high-resolution atmospheric forcing data is needed. For most applications the resolution of atmospheric model output is too coarse. To avoid biases due to the non-linear processes, a downscaling system should predict the unresolved variability of the atmospheric forcing. For this purpose we derived a disaggregation system consisting of three steps: (1) a bi-quadratic spline-interpolation of the low-resolution data, (2) a so-called `deterministic' part, based on statistical rules between high-resolution surface variables and the desired atmospheric near-surface variables and (3) an autoregressive noise-generation step. The disaggregation system has been developed and tested based on high-resolution model output (400m horizontal grid spacing). A novel automatic search-algorithm has been developed for deriving the deterministic downscaling rules of step 2. When applied to the atmospheric variables of the lowest layer of the atmospheric COSMO-model, the disaggregation is able to adequately reconstruct the reference fields. Applying downscaling step 1 and 2, root mean square errors are decreased. Step 3 finally leads to a close match of the subgrid variability and temporal autocorrelation with the reference fields. The scheme can be applied to the output of atmospheric models, both for stand-alone offline simulations, and a fully coupled model system.

A matter of scale: apparent niche differentiation of diploid and tetraploid plants may depend on extent and grain of analysis.

PubMed

Kirchheimer, Bernhard; Schinkel, Christoph C F; Dellinger, Agnes S; Klatt, Simone; Moser, Dietmar; Winkler, Manuela; Lenoir, Jonathan; Caccianiga, Marco; Guisan, Antoine; Nieto-Lugilde, Diego; Svenning, Jens-Christian; Thuiller, Wilfried; Vittoz, Pascal; Willner, Wolfgang; Zimmermann, Niklaus E; Hörandl, Elvira; Dullinger, Stefan

2016-03-22

Emerging polyploids may depend on environmental niche shifts for successful establishment. Using the alpine plant Ranunculus kuepferi as a model system, we explore the niche shift hypothesis at different spatial resolutions and in contrasting parts of the species range. European Alps. We sampled 12 individuals from each of 102 populations of R. kuepferi across the Alps, determined their ploidy levels, derived coarse-grain (100 × 100 m) environmental descriptors for all sampling sites by downscaling WorldClim maps, and calculated fine-scale environmental descriptors (2 × 2 m) from indicator values of the vegetation accompanying the sampled individuals. Both coarse and fine-scale variables were further computed for 8239 vegetation plots from across the Alps. Subsequently, we compared niche optima and breadths of diploid and tetraploid cytotypes by combining principal components analysis and kernel smoothing procedures. Comparisons were done separately for coarse and fine-grain data sets and for sympatric, allopatric and the total set of populations. All comparisons indicate that the niches of the two cytotypes differ in optima and/or breadths, but results vary in important details. The whole-range analysis suggests differentiation along the temperature gradient to be most important. However, sympatric comparisons indicate that this climatic shift was not a direct response to competition with diploid ancestors. Moreover, fine-grained analyses demonstrate niche contraction of tetraploids, especially in the sympatric range, that goes undetected with coarse-grained data. Although the niche optima of the two cytotypes differ, separation along ecological gradients was probably less decisive for polyploid establishment than a shift towards facultative apomixis, a particularly effective strategy to avoid minority cytotype exclusion. In addition, our results suggest that coarse-grained analyses overestimate niche breadths of widely distributed taxa. Niche comparison analyses should hence be conducted at environmental data resolutions appropriate for the organism and question under study.

Coarsening of three-dimensional structured and unstructured grids for subsurface flow

NASA Astrophysics Data System (ADS)

Aarnes, Jørg Espen; Hauge, Vera Louise; Efendiev, Yalchin

2007-11-01

We present a generic, semi-automated algorithm for generating non-uniform coarse grids for modeling subsurface flow. The method is applicable to arbitrary grids and does not impose smoothness constraints on the coarse grid. One therefore avoids conventional smoothing procedures that are commonly used to ensure that the grids obtained with standard coarsening procedures are not too rough. The coarsening algorithm is very simple and essentially involves only two parameters that specify the level of coarsening. Consequently the algorithm allows the user to specify the simulation grid dynamically to fit available computer resources, and, e.g., use the original geomodel as input for flow simulations. This is of great importance since coarse grid-generation is normally the most time-consuming part of an upscaling phase, and therefore the main obstacle that has prevented simulation workflows with user-defined resolution. We apply the coarsening algorithm to a series of two-phase flow problems on both structured (Cartesian) and unstructured grids. The numerical results demonstrate that one consistently obtains significantly more accurate results using the proposed non-uniform coarsening strategy than with corresponding uniform coarse grids with roughly the same number of cells.

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

Coarse-Grained Models Reveal Functional Dynamics – II. Molecular Dynamics Simulation at the Coarse-Grained Level – Theories and Biological Applications

PubMed Central

Chng, Choon-Peng; Yang, Lee-Wei

2008-01-01

Molecular dynamics (MD) simulation has remained the most indispensable tool in studying equilibrium/non-equilibrium conformational dynamics since its advent 30 years ago. With advances in spectroscopy accompanying solved biocomplexes in growing sizes, sampling their dynamics that occur at biologically interesting spatial/temporal scales becomes computationally intractable; this motivated the use of coarse-grained (CG) approaches. CG-MD models are used to study folding and conformational transitions in reduced resolution and can employ enlarged time steps due to the absence of some of the fastest motions in the system. The Boltzmann-Inversion technique, heavily used in parameterizing these models, provides a smoothed-out effective potential on which molecular conformation evolves at a faster pace thus stretching simulations into tens of microseconds. As a result, a complete catalytic cycle of HIV-1 protease or the assembly of lipid-protein mixtures could be investigated by CG-MD to gain biological insights. In this review, we survey the theories developed in recent years, which are categorized into Folding-based and Molecular-Mechanics-based. In addition, physical bases in the selection of CG beads/time-step, the choice of effective potentials, representation of solvent, and restoration of molecular representations back to their atomic details are systematically discussed. PMID:19812774

Modeling of heterogeneous elastic materials by the multiscale hp-adaptive finite element method

NASA Astrophysics Data System (ADS)

Klimczak, Marek; Cecot, Witold

2018-01-01

We present an enhancement of the multiscale finite element method (MsFEM) by combining it with the hp-adaptive FEM. Such a discretization-based homogenization technique is a versatile tool for modeling heterogeneous materials with fast oscillating elasticity coefficients. No assumption on periodicity of the domain is required. In order to avoid direct, so-called overkill mesh computations, a coarse mesh with effective stiffness matrices is used and special shape functions are constructed to account for the local heterogeneities at the micro resolution. The automatic adaptivity (hp-type at the macro resolution and h-type at the micro resolution) increases efficiency of computation. In this paper details of the modified MsFEM are presented and a numerical test performed on a Fichera corner domain is presented in order to validate the proposed approach.

The Application of High Energy Resolution Green's Functions to Threat Scenario Simulation

NASA Astrophysics Data System (ADS)

Thoreson, Gregory G.; Schneider, Erich A.

2012-04-01

Radiation detectors installed at key interdiction points provide defense against nuclear smuggling attempts by scanning vehicles and traffic for illicit nuclear material. These hypothetical threat scenarios may be modeled using radiation transport simulations. However, high-fidelity models are computationally intensive. Furthermore, the range of smuggler attributes and detector technologies create a large problem space not easily overcome by brute-force methods. Previous research has demonstrated that decomposing the scenario into independently simulated components using Green's functions can simulate photon detector signals with coarse energy resolution. This paper extends this methodology by presenting physics enhancements and numerical treatments which allow for an arbitrary level of energy resolution for photon transport. As a result, spectroscopic detector signals produced from full forward transport simulations can be replicated while requiring multiple orders of magnitude less computation time.

The optimization of high resolution topographic data for 1D hydrodynamic models

NASA Astrophysics Data System (ADS)

Ales, Ronovsky; Michal, Podhoranyi

2016-06-01

The main focus of our research presented in this paper is to optimize and use high resolution topographical data (HRTD) for hydrological modelling. Optimization of HRTD is done by generating adaptive mesh by measuring distance of coarse mesh and the surface of the dataset and adapting the mesh from the perspective of keeping the geometry as close to initial resolution as possible. Technique described in this paper enables computation of very accurate 1-D hydrodynamic models. In the paper, we use HEC-RAS software as a solver. For comparison, we have chosen the amount of generated cells/grid elements (in whole discretization domain and selected cross sections) with respect to preservation of the accuracy of the computational domain. Generation of the mesh for hydrodynamic modelling is strongly reliant on domain size and domain resolution. Topographical dataset used in this paper was created using LiDAR method and it captures 5.9km long section of a catchment of the river Olše. We studied crucial changes in topography for generated mesh. Assessment was done by commonly used statistical and visualization methods.

The optimization of high resolution topographic data for 1D hydrodynamic models

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

Ales, Ronovsky, E-mail: ales.ronovsky@vsb.cz; Michal, Podhoranyi

2016-06-08

The main focus of our research presented in this paper is to optimize and use high resolution topographical data (HRTD) for hydrological modelling. Optimization of HRTD is done by generating adaptive mesh by measuring distance of coarse mesh and the surface of the dataset and adapting the mesh from the perspective of keeping the geometry as close to initial resolution as possible. Technique described in this paper enables computation of very accurate 1-D hydrodynamic models. In the paper, we use HEC-RAS software as a solver. For comparison, we have chosen the amount of generated cells/grid elements (in whole discretization domainmore » and selected cross sections) with respect to preservation of the accuracy of the computational domain. Generation of the mesh for hydrodynamic modelling is strongly reliant on domain size and domain resolution. Topographical dataset used in this paper was created using LiDAR method and it captures 5.9km long section of a catchment of the river Olše. We studied crucial changes in topography for generated mesh. Assessment was done by commonly used statistical and visualization methods.« less

Impact of earthquake source complexity and land elevation data resolution on tsunami hazard assessment and fatality estimation

NASA Astrophysics Data System (ADS)

Muhammad, Ario; Goda, Katsuichiro

2018-03-01

This study investigates the impact of model complexity in source characterization and digital elevation model (DEM) resolution on the accuracy of tsunami hazard assessment and fatality estimation through a case study in Padang, Indonesia. Two types of earthquake source models, i.e. complex and uniform slip models, are adopted by considering three resolutions of DEMs, i.e. 150 m, 50 m, and 10 m. For each of the three grid resolutions, 300 complex source models are generated using new statistical prediction models of earthquake source parameters developed from extensive finite-fault models of past subduction earthquakes, whilst 100 uniform slip models are constructed with variable fault geometry without slip heterogeneity. The results highlight that significant changes to tsunami hazard and fatality estimates are observed with regard to earthquake source complexity and grid resolution. Coarse resolution (i.e. 150 m) leads to inaccurate tsunami hazard prediction and fatality estimation, whilst 50-m and 10-m resolutions produce similar results. However, velocity and momentum flux are sensitive to the grid resolution and hence, at least 10-m grid resolution needs to be implemented when considering flow-based parameters for tsunami hazard and risk assessments. In addition, the results indicate that the tsunami hazard parameters and fatality number are more sensitive to the complexity of earthquake source characterization than the grid resolution. Thus, the uniform models are not recommended for probabilistic tsunami hazard and risk assessments. Finally, the findings confirm that uncertainties of tsunami hazard level and fatality in terms of depth, velocity and momentum flux can be captured and visualized through the complex source modeling approach. From tsunami risk management perspectives, this indeed creates big data, which are useful for making effective and robust decisions.

The impact of scatterometer wind data on global weather forecasting

NASA Technical Reports Server (NTRS)

Atlas, D.; Baker, W. E.; Kalnay, E.; Halem, M.; Woiceshyn, P. M.; Peteherych, S.

1984-01-01

The impact of SEASAT-A scatterometer (SASS) winds on coarse resolution atmospheric model forecasts was assessed. The scatterometer provides high resolution winds, but each wind can have up to four possible directions. One wind direction is correct; the remainder are ambiguous or "aliases'. In general, the effect of objectively dealiased-SASS data was found to be negligible in the Northern Hemisphere. In the Southern Hemisphere, the impact was larger and primarily beneficial when vertical temperature profile radiometer (VTPR) data was excluded. However, the inclusion of VTPR data eliminates the positive impact, indicating some redundancy between the two data sets.

A 4.5 km resolution Arctic Ocean simulation with the global multi-resolution model FESOM 1.4

NASA Astrophysics Data System (ADS)

Wang, Qiang; Wekerle, Claudia; Danilov, Sergey; Wang, Xuezhu; Jung, Thomas

2018-04-01

In the framework of developing a global modeling system which can facilitate modeling studies on Arctic Ocean and high- to midlatitude linkage, we evaluate the Arctic Ocean simulated by the multi-resolution Finite Element Sea ice-Ocean Model (FESOM). To explore the value of using high horizontal resolution for Arctic Ocean modeling, we use two global meshes differing in the horizontal resolution only in the Arctic Ocean (24 km vs. 4.5 km). The high resolution significantly improves the model's representation of the Arctic Ocean. The most pronounced improvement is in the Arctic intermediate layer, in terms of both Atlantic Water (AW) mean state and variability. The deepening and thickening bias of the AW layer, a common issue found in coarse-resolution simulations, is significantly alleviated by using higher resolution. The topographic steering of the AW is stronger and the seasonal and interannual temperature variability along the ocean bottom topography is enhanced in the high-resolution simulation. The high resolution also improves the ocean surface circulation, mainly through a better representation of the narrow straits in the Canadian Arctic Archipelago (CAA). The representation of CAA throughflow not only influences the release of water masses through the other gateways but also the circulation pathways inside the Arctic Ocean. However, the mean state and variability of Arctic freshwater content and the variability of freshwater transport through the Arctic gateways appear not to be very sensitive to the increase in resolution employed here. By highlighting the issues that are independent of model resolution, we address that other efforts including the improvement of parameterizations are still required.

Impact of model resolution on simulating the water vapor transport through the central Himalayas: implication for models' wet bias over the Tibetan Plateau

NASA Astrophysics Data System (ADS)

Lin, Changgui; Chen, Deliang; Yang, Kun; Ou, Tinghai

2018-01-01

Current climate models commonly overestimate precipitation over the Tibetan Plateau (TP), which limits our understanding of past and future water balance in the region. Identifying sources of such models' wet bias is therefore crucial. The Himalayas is considered a major pathway of water vapor transport (WVT) towards the TP. Their steep terrain, together with associated small-scale processes, cannot be resolved by coarse-resolution models, which may result in excessive WVT towards the TP. This paper, therefore, investigated the resolution dependency of simulated WVT through the central Himalayas and its further impact on precipitation bias over the TP. According to a summer monsoon season of simulations conducted using the weather research forecasting (WRF) model with resolutions of 30, 10, and 2 km, the study found that finer resolutions (especially 2 km) diminish the positive precipitation bias over the TP. The higher-resolution simulations produce more precipitation over the southern Himalayan slopes and weaker WVT towards the TP, explaining the reduced wet bias. The decreased WVT is reflected mostly in the weakened wind speed, which is due to the fact that the high resolution can improve resolving orographic drag over a complex terrain and other processes associated with heterogeneous surface forcing. A significant difference was particularly found when the model resolution is changed from 30 to 10 km, suggesting that a resolution of approximately 10 km represents a good compromise between a more spatially detailed simulation of WVT and computational cost for a domain covering the whole TP.

Interplay Between Hydrophobic Effect and Dipole Interactions in Peptide Aggregation

NASA Astrophysics Data System (ADS)

Ganesan, Sai; Matysiak, Silvina

In the past decade, the development of various coarse-grained models for proteins have provided key insights into the driving forces in folding and aggregation.We recently developed a low resolution Water Explicit Polarizable PROtein coarse-grained Model by adding oppositely charged dummy particles inside protein backbone beads.With this model,we were able to achieve significant α/ β secondary structure content,without any added bias.We now extend the model to study peptide aggregation at hydrophobic-hydrophilic interface using elastin-like octapeptides (GV)4 as a model system.A condensation-ordering mechanism of aggregation is observed in water.Our results suggest that backbone interpeptide dipolar interactions,not hydrophobicity,plays a more significant role in fibril-like peptide aggregation.We observe a cooperative effect in hydrogen bonding or dipolar interactions, with increase in aggregate size in water and interface.Based on this cooperative effect, we provide a potential explanation for the observed nucleus size in peptide aggregation pathways.Without dipolar particles,peptide aggregation is not observed at the hydrophilic-hydrophobic interface.Thus,the presence of dipoles,not hydrophobicity plays a key role in aggregation observed at hydrophobic interfaces.

Will high-resolution global ocean models benefit coupled predictions on short-range to climate timescales?

NASA Astrophysics Data System (ADS)

Hewitt, Helene T.; Bell, Michael J.; Chassignet, Eric P.; Czaja, Arnaud; Ferreira, David; Griffies, Stephen M.; Hyder, Pat; McClean, Julie L.; New, Adrian L.; Roberts, Malcolm J.

2017-12-01

As the importance of the ocean in the weather and climate system is increasingly recognised, operational systems are now moving towards coupled prediction not only for seasonal to climate timescales but also for short-range forecasts. A three-way tension exists between the allocation of computing resources to refine model resolution, the expansion of model complexity/capability, and the increase of ensemble size. Here we review evidence for the benefits of increased ocean resolution in global coupled models, where the ocean component explicitly represents transient mesoscale eddies and narrow boundary currents. We consider lessons learned from forced ocean/sea-ice simulations; from studies concerning the SST resolution required to impact atmospheric simulations; and from coupled predictions. Impacts of the mesoscale ocean in western boundary current regions on the large-scale atmospheric state have been identified. Understanding of air-sea feedback in western boundary currents is modifying our view of the dynamics in these key regions. It remains unclear whether variability associated with open ocean mesoscale eddies is equally important to the large-scale atmospheric state. We include a discussion of what processes can presently be parameterised in coupled models with coarse resolution non-eddying ocean models, and where parameterizations may fall short. We discuss the benefits of resolution and identify gaps in the current literature that leave important questions unanswered.

The Separate Physics and Dynamics Experiment (SPADE) framework for determining resolution awareness: A case study of microphysics

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

Gustafson, William I.; Ma, Po-Lun; Xiao, Heng

2013-08-29

The ability to use multi-resolution dynamical cores for weather and climate modeling is pushing the atmospheric community towards developing scale aware or, more specifically, resolution aware parameterizations that will function properly across a range of grid spacings. Determining the resolution dependence of specific model parameterizations is difficult due to strong resolution dependencies in many pieces of the model. This study presents the Separate Physics and Dynamics Experiment (SPADE) framework that can be used to isolate the resolution dependent behavior of specific parameterizations without conflating resolution dependencies from other portions of the model. To demonstrate the SPADE framework, the resolution dependencemore » of the Morrison microphysics from the Weather Research and Forecasting model and the Morrison-Gettelman microphysics from the Community Atmosphere Model are compared for grid spacings spanning the cloud modeling gray zone. It is shown that the Morrison scheme has stronger resolution dependence than Morrison-Gettelman, and that the ability of Morrison-Gettelman to use partial cloud fractions is not the primary reason for this difference. This study also discusses how to frame the issue of resolution dependence, the meaning of which has often been assumed, but not clearly expressed in the atmospheric modeling community. It is proposed that parameterization resolution dependence can be expressed in terms of "resolution dependence of the first type," RA1, which implies that the parameterization behavior converges towards observations with increasing resolution, or as "resolution dependence of the second type," RA2, which requires that the parameterization reproduces the same behavior across a range of grid spacings when compared at a given coarser resolution. RA2 behavior is considered the ideal, but brings with it serious implications due to limitations of parameterizations to accurately estimate reality with coarse grid spacing. The type of resolution awareness developers should target in their development depends upon the particular modeler’s application.« less

Hybrid femtosecond/picosecond rotational coherent anti-Stokes Raman scattering temperature and concentration measurements using two different picosecond-duration probes.

PubMed

Kearney, Sean P; Scoglietti, Daniel J; Kliewer, Christopher J

2013-05-20

A hybrid fs/ps pure-rotational CARS scheme is characterized in furnace-heated air at temperatures from 290 to 800 K. Impulsive femtosecond excitation is used to prepare a rotational Raman coherence that is probed with a ps-duration beam generated from an initially broadband fs pulse that is bandwidth limited using air-spaced Fabry-Perot etalons. CARS spectra are generated using 1.5- and 7.0-ps duration probe beams with corresponding coarse and narrow spectral widths. The spectra are fitted using a simple phenomenological model for both shot-averaged and single-shot measurements of temperature and oxygen mole fraction. Our single-shot temperature measurements exhibit high levels of precision and accuracy when the spectrally coarse 1.5-ps probe beam is used, demonstrating that high spectral resolution is not required for thermometry. An initial assessment of concentration measurements in air is also provided, with best results obtained using the higher resolution 7.0-ps probe. This systematic assessment of the hybrid CARS technique demonstrates its utility for practical application in low-temperature gas-phase systems.

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).

Spontaneous adsorption of coiled-coil model peptides K and E to a mixed lipid bilayer.

PubMed

Pluhackova, Kristyna; Wassenaar, Tsjerk A; Kirsch, Sonja; Böckmann, Rainer A

2015-03-26

A molecular description of the lipid-protein interactions underlying the adsorption of proteins to membranes is crucial for understanding, for example, the specificity of adsorption or the binding strength of a protein to a bilayer, or for characterizing protein-induced changes of membrane properties. In this paper, we extend an automated in silico assay (DAFT) for binding studies and apply it to characterize the adsorption of the model fusion peptides E and K to a mixed phospholipid/cholesterol membrane using coarse-grained molecular dynamics simulations. In addition, we couple the coarse-grained protocol to reverse transformation to atomistic resolution, thereby allowing to study molecular interactions with high detail. The experimentally observed differential binding of the peptides E and K to membranes, as well as the increased binding affinity of helical over unstructered peptides, could be well reproduced using the polarizable Martini coarse-grained (CG) force field. Binding to neutral membranes is shown to be dominated by initial binding of the positively charged N-terminus to the phospholipid headgroup region, followed by membrane surface-aligned insertion of the peptide at the interface between the hydrophobic core of the membrane and its polar headgroup region. Both coarse-grained and atomistic simulations confirm a before hypothesized snorkeling of lysine side chains for the membrane-bound state of the peptide K. Cholesterol was found to be enriched in peptide vicinity, which is probably of importance for the mechanism of membrane fusion. The applied sequential multiscale method, using coarse-grained simulations for the slow adsorption process of peptides to membranes followed by backward transformation to atomistic detail and subsequent atomistic simulations of the preformed peptide-lipid complexes, is shown to be a versatile approach to study the interactions of peptides or proteins with biomembranes.

Modeling diurnal land temperature cycles over Los Angeles using downscaled GOES imagery

NASA Astrophysics Data System (ADS)

Weng, Qihao; Fu, Peng

2014-11-01

Land surface temperature is a key parameter for monitoring urban heat islands, assessing heat related risks, and estimating building energy consumption. These environmental issues are characterized by high temporal variability. A possible solution from the remote sensing perspective is to utilize geostationary satellites images, for instance, images from Geostationary Operational Environmental System (GOES) and Meteosat Second Generation (MSG). These satellite systems, however, with coarse spatial but high temporal resolution (sub-hourly imagery at 3-10 km resolution), often limit their usage to meteorological forecasting and global climate modeling. Therefore, how to develop efficient and effective methods to disaggregate these coarse resolution images to a proper scale suitable for regional and local studies need be explored. In this study, we propose a least square support vector machine (LSSVM) method to achieve the goal of downscaling of GOES image data to half-hourly 1-km LSTs by fusing it with MODIS data products and Shuttle Radar Topography Mission (SRTM) digital elevation data. The result of downscaling suggests that the proposed method successfully disaggregated GOES images to half-hourly 1-km LSTs with accuracy of approximately 2.5 K when validated against with MODIS LSTs at the same over-passing time. The synthetic LST datasets were further explored for monitoring of surface urban heat island (UHI) in the Los Angeles region by extracting key diurnal temperature cycle (DTC) parameters. It is found that the datasets and DTC derived parameters were more suitable for monitoring of daytime- other than nighttime-UHI. With the downscaled GOES 1-km LSTs, the diurnal temperature variations can well be characterized. An accuracy of about 2.5 K was achieved in terms of the fitted results at both 1 km and 5 km resolutions.

Coarse-grained modeling of RNA 3D structure.

PubMed

Dawson, Wayne K; Maciejczyk, Maciej; Jankowska, Elzbieta J; Bujnicki, Janusz M

2016-07-01

Functional RNA molecules depend on three-dimensional (3D) structures to carry out their tasks within the cell. Understanding how these molecules interact to carry out their biological roles requires a detailed knowledge of RNA 3D structure and dynamics as well as thermodynamics, which strongly governs the folding of RNA and RNA-RNA interactions as well as a host of other interactions within the cellular environment. Experimental determination of these properties is difficult, and various computational methods have been developed to model the folding of RNA 3D structures and their interactions with other molecules. However, computational methods also have their limitations, especially when the biological effects demand computation of the dynamics beyond a few hundred nanoseconds. For the researcher confronted with such challenges, a more amenable approach is to resort to coarse-grained modeling to reduce the number of data points and computational demand to a more tractable size, while sacrificing as little critical information as possible. This review presents an introduction to the topic of coarse-grained modeling of RNA 3D structures and dynamics, covering both high- and low-resolution strategies. We discuss how physics-based approaches compare with knowledge based methods that rely on databases of information. In the course of this review, we discuss important aspects in the reasoning process behind building different models and the goals and pitfalls that can result. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Enhancing Hi-C data resolution with deep convolutional neural network HiCPlus.

PubMed

Zhang, Yan; An, Lin; Xu, Jie; Zhang, Bo; Zheng, W Jim; Hu, Ming; Tang, Jijun; Yue, Feng

2018-02-21

Although Hi-C technology is one of the most popular tools for studying 3D genome organization, due to sequencing cost, the resolution of most Hi-C datasets are coarse and cannot be used to link distal regulatory elements to their target genes. Here we develop HiCPlus, a computational approach based on deep convolutional neural network, to infer high-resolution Hi-C interaction matrices from low-resolution Hi-C data. We demonstrate that HiCPlus can impute interaction matrices highly similar to the original ones, while only using 1/16 of the original sequencing reads. We show that the models learned from one cell type can be applied to make predictions in other cell or tissue types. Our work not only provides a computational framework to enhance Hi-C data resolution but also reveals features underlying the formation of 3D chromatin interactions.

Stochastic Ocean Eddy Perturbations in a Coupled General Circulation Model.

NASA Astrophysics Data System (ADS)

Howe, N.; Williams, P. D.; Gregory, J. M.; Smith, R. S.

2014-12-01

High-resolution ocean models, which are eddy permitting and resolving, require large computing resources to produce centuries worth of data. Also, some previous studies have suggested that increasing resolution does not necessarily solve the problem of unresolved scales, because it simply introduces a new set of unresolved scales. Applying stochastic parameterisations to ocean models is one solution that is expected to improve the representation of small-scale (eddy) effects without increasing run-time. Stochastic parameterisation has been shown to have an impact in atmosphere-only models and idealised ocean models, but has not previously been studied in ocean general circulation models. Here we apply simple stochastic perturbations to the ocean temperature and salinity tendencies in the low-resolution coupled climate model, FAMOUS. The stochastic perturbations are implemented according to T(t) = T(t-1) + (ΔT(t) + ξ(t)), where T is temperature or salinity, ΔT is the corresponding deterministic increment in one time step, and ξ(t) is Gaussian noise. We use high-resolution HiGEM data coarse-grained to the FAMOUS grid to provide information about the magnitude and spatio-temporal correlation structure of the noise to be added to the lower resolution model. Here we present results of adding white and red noise, showing the impacts of an additive stochastic perturbation on mean climate state and variability in an AOGCM.

Adaptive resolution simulation of oligonucleotides

NASA Astrophysics Data System (ADS)

Netz, Paulo A.; Potestio, Raffaello; Kremer, Kurt

2016-12-01

Nucleic acids are characterized by a complex hierarchical structure and a variety of interaction mechanisms with other molecules. These features suggest the need of multiscale simulation methods in order to grasp the relevant physical properties of deoxyribonucleic acid (DNA) and RNA using in silico experiments. Here we report an implementation of a dual-resolution modeling of a DNA oligonucleotide in physiological conditions; in the presented setup only the nucleotide molecule and the solvent and ions in its proximity are described at the atomistic level; in contrast, the water molecules and ions far from the DNA are represented as computationally less expensive coarse-grained particles. Through the analysis of several structural and dynamical parameters, we show that this setup reliably reproduces the physical properties of the DNA molecule as observed in reference atomistic simulations. These results represent a first step towards a realistic multiscale modeling of nucleic acids and provide a quantitatively solid ground for their simulation using dual-resolution methods.

Development of coarse-scale spatial data for wildland fire and fuel management

Treesearch

Kirsten M. Schmidt; James P. Menakis; Colin C. Hardy; Wendall J. Hann; David L. Bunnell

2002-01-01

We produced seven coarse-scale, 1-km2 resolution, spatial data layers for the conterminous United States to support national-level fire planning and risk assessments. Four of these layers were developed to evaluate ecological conditions and risk to ecosystem components: Potential Natural Vegetation Groups, a layer of climax vegetation types representing site...

VP Structure of Mount St. Helens, Washington, USA, imaged with local earthquake tomography

USGS Publications Warehouse

Waite, G.P.; Moran, S.C.

2009-01-01

We present a new P-wave velocity model for Mount St. Helens using local earthquake data recorded by the Pacific Northwest Seismograph Stations and Cascades Volcano Observatory since the 18 May 1980 eruption. These data were augmented with records from a dense array of 19 temporary stations deployed during the second half of 2005. Because the distribution of earthquakes in the study area is concentrated beneath the volcano and within two nearly linear trends, we used a graded inversion scheme to compute a coarse-grid model that focused on the regional structure, followed by a fine-grid inversion to improve spatial resolution directly beneath the volcanic edifice. The coarse-grid model results are largely consistent with earlier geophysical studies of the area; we find high-velocity anomalies NW and NE of the edifice that correspond with igneous intrusions and a prominent low-velocity zone NNW of the edifice that corresponds with the linear zone of high seismicity known as the St. Helens Seismic Zone. This low-velocity zone may continue past Mount St. Helens to the south at depths below 5??km. Directly beneath the edifice, the fine-grid model images a low-velocity zone between about 2 and 3.5??km below sea level that may correspond to a shallow magma storage zone. And although the model resolution is poor below about 6??km, we found low velocities that correspond with the aseismic zone between about 5.5 and 8??km that has previously been modeled as the location of a large magma storage volume. ?? 2009 Elsevier B.V.

Evaluating the role of land cover and climate uncertainties in computing gross primary production in Hawaiian Island ecosystems

PubMed Central

Selmants, Paul C.; Moreno, Alvaro; Running, Steve W.; Giardina, Christian P.

2017-01-01

Gross primary production (GPP) is the Earth’s largest carbon flux into the terrestrial biosphere and plays a critical role in regulating atmospheric chemistry and global climate. The Moderate Resolution Imaging Spectrometer (MODIS)-MOD17 data product is a widely used remote sensing-based model that provides global estimates of spatiotemporal trends in GPP. When the MOD17 algorithm is applied to regional scale heterogeneous landscapes, input data from coarse resolution land cover and climate products may increase uncertainty in GPP estimates, especially in high productivity tropical ecosystems. We examined the influence of using locally specific land cover and high-resolution local climate input data on MOD17 estimates of GPP for the State of Hawaii, a heterogeneous and discontinuous tropical landscape. Replacing the global land cover data input product (MOD12Q1) with Hawaii-specific land cover data reduced statewide GPP estimates by ~8%, primarily because the Hawaii-specific land cover map had less vegetated land area compared to the global land cover product. Replacing coarse resolution GMAO climate data with Hawaii-specific high-resolution climate data also reduced statewide GPP estimates by ~8% because of the higher spatial variability of photosynthetically active radiation (PAR) in the Hawaii-specific climate data. The combined use of both Hawaii-specific land cover and high-resolution Hawaii climate data inputs reduced statewide GPP by ~16%, suggesting equal and independent influence on MOD17 GPP estimates. Our sensitivity analyses within a heterogeneous tropical landscape suggest that refined global land cover and climate data sets may contribute to an enhanced MOD17 product at a variety of spatial scales. PMID:28886187

Evaluating the role of land cover and climate uncertainties in computing gross primary production in Hawaiian Island ecosystems

USGS Publications Warehouse

Kimball, Heather L.; Selmants, Paul; Moreno, Alvaro; Running Steve W,; Giardina, Christian P.

2017-01-01

Gross primary production (GPP) is the Earth’s largest carbon flux into the terrestrial biosphere and plays a critical role in regulating atmospheric chemistry and global climate. The Moderate Resolution Imaging Spectrometer (MODIS)-MOD17 data product is a widely used remote sensing-based model that provides global estimates of spatiotemporal trends in GPP. When the MOD17 algorithm is applied to regional scale heterogeneous landscapes, input data from coarse resolution land cover and climate products may increase uncertainty in GPP estimates, especially in high productivity tropical ecosystems. We examined the influence of using locally specific land cover and high-resolution local climate input data on MOD17 estimates of GPP for the State of Hawaii, a heterogeneous and discontinuous tropical landscape. Replacing the global land cover data input product (MOD12Q1) with Hawaii-specific land cover data reduced statewide GPP estimates by ~8%, primarily because the Hawaii-specific land cover map had less vegetated land area compared to the global land cover product. Replacing coarse resolution GMAO climate data with Hawaii-specific high-resolution climate data also reduced statewide GPP estimates by ~8% because of the higher spatial variability of photosynthetically active radiation (PAR) in the Hawaii-specific climate data. The combined use of both Hawaii-specific land cover and high-resolution Hawaii climate data inputs reduced statewide GPP by ~16%, suggesting equal and independent influence on MOD17 GPP estimates. Our sensitivity analyses within a heterogeneous tropical landscape suggest that refined global land cover and climate data sets may contribute to an enhanced MOD17 product at a variety of spatial scales.

Evaluating the role of land cover and climate uncertainties in computing gross primary production in Hawaiian Island ecosystems.

PubMed

Kimball, Heather L; Selmants, Paul C; Moreno, Alvaro; Running, Steve W; Giardina, Christian P

2017-01-01

Gross primary production (GPP) is the Earth's largest carbon flux into the terrestrial biosphere and plays a critical role in regulating atmospheric chemistry and global climate. The Moderate Resolution Imaging Spectrometer (MODIS)-MOD17 data product is a widely used remote sensing-based model that provides global estimates of spatiotemporal trends in GPP. When the MOD17 algorithm is applied to regional scale heterogeneous landscapes, input data from coarse resolution land cover and climate products may increase uncertainty in GPP estimates, especially in high productivity tropical ecosystems. We examined the influence of using locally specific land cover and high-resolution local climate input data on MOD17 estimates of GPP for the State of Hawaii, a heterogeneous and discontinuous tropical landscape. Replacing the global land cover data input product (MOD12Q1) with Hawaii-specific land cover data reduced statewide GPP estimates by ~8%, primarily because the Hawaii-specific land cover map had less vegetated land area compared to the global land cover product. Replacing coarse resolution GMAO climate data with Hawaii-specific high-resolution climate data also reduced statewide GPP estimates by ~8% because of the higher spatial variability of photosynthetically active radiation (PAR) in the Hawaii-specific climate data. The combined use of both Hawaii-specific land cover and high-resolution Hawaii climate data inputs reduced statewide GPP by ~16%, suggesting equal and independent influence on MOD17 GPP estimates. Our sensitivity analyses within a heterogeneous tropical landscape suggest that refined global land cover and climate data sets may contribute to an enhanced MOD17 product at a variety of spatial scales.

Coarse-grained models of key self-assembly processes in HIV-1

NASA Astrophysics Data System (ADS)

Grime, John

Computational molecular simulations can elucidate microscopic information that is inaccessible to conventional experimental techniques. However, many processes occur over time and length scales that are beyond the current capabilities of atomic-resolution molecular dynamics (MD). One such process is the self-assembly of the HIV-1 viral capsid, a biological structure that is crucial to viral infectivity. The nucleation and growth of capsid structures requires the interaction of large numbers of capsid proteins within a complicated molecular environment. Coarse-grained (CG) models, where degrees of freedom are removed to produce more computationally efficient models, can in principle access large-scale phenomena such as the nucleation and growth of HIV-1 capsid lattice. We report here studies of the self-assembly behaviors of a CG model of HIV-1 capsid protein, including the influence of the local molecular environment on nucleation and growth processes. Our results suggest a multi-stage process, involving several characteristic structures, eventually producing metastable capsid lattice morphologies that are amenable to subsequent capsid dissociation in order to transmit the viral infection.

Estimates of present and future flood risk in the conterminous United States

NASA Astrophysics Data System (ADS)

Wing, Oliver E. J.; Bates, Paul D.; Smith, Andrew M.; Sampson, Christopher C.; Johnson, Kris A.; Fargione, Joseph; Morefield, Philip

2018-03-01

Past attempts to estimate rainfall-driven flood risk across the US either have incomplete coverage, coarse resolution or use overly simplified models of the flooding process. In this paper, we use a new 30 m resolution model of the entire conterminous US with a 2D representation of flood physics to produce estimates of flood hazard, which match to within 90% accuracy the skill of local models built with detailed data. These flood depths are combined with exposure datasets of commensurate resolution to calculate current and future flood risk. Our data show that the total US population exposed to serious flooding is 2.6-3.1 times higher than previous estimates, and that nearly 41 million Americans live within the 1% annual exceedance probability floodplain (compared to only 13 million when calculated using FEMA flood maps). We find that population and GDP growth alone are expected to lead to significant future increases in exposure, and this change may be exacerbated in the future by climate change.

Constraining Stochastic Parametrisation Schemes Using High-Resolution Model Simulations

NASA Astrophysics Data System (ADS)

Christensen, H. M.; Dawson, A.; Palmer, T.

2017-12-01

Stochastic parametrisations are used in weather and climate models as a physically motivated way to represent model error due to unresolved processes. Designing new stochastic schemes has been the target of much innovative research over the last decade. While a focus has been on developing physically motivated approaches, many successful stochastic parametrisation schemes are very simple, such as the European Centre for Medium-Range Weather Forecasts (ECMWF) multiplicative scheme `Stochastically Perturbed Parametrisation Tendencies' (SPPT). The SPPT scheme improves the skill of probabilistic weather and seasonal forecasts, and so is widely used. However, little work has focused on assessing the physical basis of the SPPT scheme. We address this matter by using high-resolution model simulations to explicitly measure the `error' in the parametrised tendency that SPPT seeks to represent. The high resolution simulations are first coarse-grained to the desired forecast model resolution before they are used to produce initial conditions and forcing data needed to drive the ECMWF Single Column Model (SCM). By comparing SCM forecast tendencies with the evolution of the high resolution model, we can measure the `error' in the forecast tendencies. In this way, we provide justification for the multiplicative nature of SPPT, and for the temporal and spatial scales of the stochastic perturbations. However, we also identify issues with the SPPT scheme. It is therefore hoped these measurements will improve both holistic and process based approaches to stochastic parametrisation. Figure caption: Instantaneous snapshot of the optimal SPPT stochastic perturbation, derived by comparing high-resolution simulations with a low resolution forecast model.

Deriving Continuous Fields of Tree Cover at 1-m over the Continental United States From the National Agriculture Imagery Program (NAIP) Imagery to Reduce Uncertainties in Forest Carbon Stock Estimation

NASA Astrophysics Data System (ADS)

Ganguly, S.; Basu, S.; Mukhopadhyay, S.; Michaelis, A.; Milesi, C.; Votava, P.; Nemani, R. R.

2013-12-01

An unresolved issue with coarse-to-medium resolution satellite-based forest carbon mapping over regional to continental scales is the high level of uncertainty in above ground biomass (AGB) estimates caused by the absence of forest cover information at a high enough spatial resolution (current spatial resolution is limited to 30-m). To put confidence in existing satellite-derived AGB density estimates, it is imperative to create continuous fields of tree cover at a sufficiently high resolution (e.g. 1-m) such that large uncertainties in forested area are reduced. The proposed work will provide means to reduce uncertainty in present satellite-derived AGB maps and Forest Inventory and Analysis (FIA) based regional estimates. Our primary objective will be to create Very High Resolution (VHR) estimates of tree cover at a spatial resolution of 1-m for the Continental United States using all available National Agriculture Imaging Program (NAIP) color-infrared imagery from 2010 till 2012. We will leverage the existing capabilities of the NASA Earth Exchange (NEX) high performance computing and storage facilities. The proposed 1-m tree cover map can be further aggregated to provide percent tree cover at any medium-to-coarse resolution spatial grid, which will aid in reducing uncertainties in AGB density estimation at the respective grid and overcome current limitations imposed by medium-to-coarse resolution land cover maps. We have implemented a scalable and computationally-efficient parallelized framework for tree-cover delineation - the core components of the algorithm [that] include a feature extraction process, a Statistical Region Merging image segmentation algorithm and a classification algorithm based on Deep Belief Network and a Feedforward Backpropagation Neural Network algorithm. An initial pilot exercise has been performed over the state of California (~11,000 scenes) to create a wall-to-wall 1-m tree cover map and the classification accuracy has been assessed. Results show an improvement in accuracy of tree-cover delineation as compared to existing forest cover maps from NLCD, especially over fragmented, heterogeneous and urban landscapes. Estimates of VHR tree cover will complement and enhance the accuracy of present remote-sensing based AGB modeling approaches and forest inventory based estimates at both national and local scales. A requisite step will be to characterize the inherent uncertainties in tree cover estimates and propagate them to estimate AGB.

Land surface modeling in convection permitting simulations

NASA Astrophysics Data System (ADS)

van Heerwaarden, Chiel; Benedict, Imme

2017-04-01

The next generation of weather and climate models permits convection, albeit at a grid spacing that is not sufficient to resolve all details of the clouds. Whereas much attention is being devoted to the correct simulation of convective clouds and associated precipitation, the role of the land surface has received far less interest. In our view, convective permitting simulations pose a set of problems that need to be solved before accurate weather and climate prediction is possible. The heart of the problem lies at the direct runoff and at the nonlinearity of the surface stress as a function of soil moisture. In coarse resolution simulations, where convection is not permitted, precipitation that reaches the land surface is uniformly distributed over the grid cell. Subsequently, a fraction of this precipitation is intercepted by vegetation or leaves the grid cell via direct runoff, whereas the remainder infiltrates into the soil. As soon as we move to convection permitting simulations, this precipitation falls often locally in large amounts. If the same land-surface model is used as in simulations with parameterized convection, this leads to an increase in direct runoff. Furthermore, spatially non-uniform infiltration leads to a very different surface stress, when scaled up to the course resolution of simulations without convection. Based on large-eddy simulation of realistic convection events at a large domain, this study presents a quantification of the errors made at the land surface in convection permitting simulation. It compares the magnitude of the errors to those made in the convection itself due to the coarse resolution of the simulation. We find that, convection permitting simulations have less evaporation than simulations with parameterized convection, resulting in a non-realistic drying of the atmosphere. We present solutions to resolve this problem.

Mesoscale weather and climate modeling with the global non-hydrostatic Goddard Earth Observing System Model (GEOS-5) at cloud-permitting resolutions

NASA Astrophysics Data System (ADS)

Putman, W. M.; Suarez, M.

2009-12-01

The Goddard Earth Observing System Model (GEOS-5), an earth system model developed in the NASA Global Modeling and Assimilation Office (GMAO), has integrated the non-hydrostatic finite-volume dynamical core on the cubed-sphere grid. The extension to a non-hydrostatic dynamical framework and the quasi-uniform cubed-sphere geometry permits the efficient exploration of global weather and climate modeling at cloud permitting resolutions of 10- to 4-km on today's high performance computing platforms. We have explored a series of incremental increases in global resolution with GEOS-5 from it's standard 72-level 27-km resolution (~5.5 million cells covering the globe from the surface to 0.1 hPa) down to 3.5-km (~3.6 billion cells). We will present results from a series of forecast experiments exploring the impact of the non-hydrostatic dynamics at transition resolutions of 14- to 7-km, and the influence of increased horizontal/vertical resolution on convection and physical parameterizations within GEOS-5. Regional and mesoscale features of 5- to 10-day weather forecasts will be presented and compared with satellite observations. Our results will highlight the impact of resolution on the structure of cloud features including tropical convection and tropical cyclone predicability, cloud streets, von Karman vortices, and the marine stratocumulus cloud layer. We will also present experiment design and early results from climate impact experiments for global non-hydrostatic models using GEOS-5. Our climate experiments will focus on support for the Year of Tropical Convection (YOTC). We will also discuss a seasonal climate time-slice experiment design for downscaling coarse resolution century scale climate simulations to global non-hydrostatic resolutions of 14- to 7-km with GEOS-5.

Simulating Virtual Terminal Area Weather Data Bases for Use in the Wake Vortex Avoidance System (Wake VAS) Prediction Algorithm

NASA Technical Reports Server (NTRS)

Kaplan, Michael L.; Lin, Yuh-Lang

2004-01-01

During the research project, sounding datasets were generated for the region surrounding 9 major airports, including Dallas, TX, Boston, MA, New York, NY, Chicago, IL, St. Louis, MO, Atlanta, GA, Miami, FL, San Francico, CA, and Los Angeles, CA. The numerical simulation of winter and summer environments during which no instrument flight rule impact was occurring at these 9 terminals was performed using the most contemporary version of the Terminal Area PBL Prediction System (TAPPS) model nested from 36 km to 6 km to 1 km horizontal resolution and very detailed vertical resolution in the planetary boundary layer. The soundings from the 1 km model were archived at 30 minute time intervals for a 24 hour period and the vertical dependent variables as well as derived quantities, i.e., 3-dimensional wind components, temperatures, pressures, mixing ratios, turbulence kinetic energy and eddy dissipation rates were then interpolated to 5 m vertical resolution up to 1000 m elevation above ground level. After partial validation against field experiment datasets for Dallas as well as larger scale and much coarser resolution observations at the other 8 airports, these sounding datasets were sent to NASA for use in the Virtual Air Space and Modeling program. The application of these datasets being to determine representative airport weather environments to diagnose the response of simulated wake vortices to realistic atmospheric environments. These virtual datasets are based on large scale observed atmospheric initial conditions that are dynamically interpolated in space and time. The 1 km nested-grid simulated datasets providing a very coarse and highly smoothed representation of airport environment meteorological conditions. Details concerning the airport surface forcing are virtually absent from these simulated datasets although the observed background atmospheric processes have been compared to the simulated fields and the fields were found to accurately replicate the flows surrounding the airport where coarse verification data were available as well as where airport scale datasets were available.

Evaluation of multisectional and two-section particulate matter photochemical grid models in the Western United States.

PubMed

Morris, Ralph; Koo, Bonyoung; Yarwood, Greg

2005-11-01

Version 4.10s of the comprehensive air-quality model with extensions (CAMx) photochemical grid model has been developed, which includes two options for representing particulate matter (PM) size distribution: (1) a two-section representation that consists of fine (PM2.5) and coarse (PM2.5-10) modes that has no interactions between the sections and assumes all of the secondary PM is fine; and (2) a multisectional representation that divides the PM size distribution into N sections (e.g., N = 10) and simulates the mass transfer between sections because of coagulation, accumulation, evaporation, and other processes. The model was applied to Southern California using the two-section and multisection representation of PM size distribution, and we found that allowing secondary PM to grow into the coarse mode had a substantial effect on PM concentration estimates. CAMx was then applied to the Western United States for the 1996 annual period with a 36-km grid resolution using both the two-section and multisection PM representation. The Community Multiscale Air Quality (CMAQ) and Regional Modeling for Aerosol and Deposition (REMSAD) models were also applied to the 1996 annual period. Similar model performance was exhibited by the four models across the Interagency Monitoring of Protected Visual Environments (IMPROVE) and Clean Air Status and Trends Network monitoring networks. All four of the models exhibited fairly low annual bias for secondary PM sulfate and nitrate but with a winter overestimation and summer underestimation bias. The CAMx multisectional model estimated that coarse mode secondary sulfate and nitrate typically contribute <10% of the total sulfate and nitrate when averaged across the more rural IMPROVE monitoring network.

Disaggregation Of Passive Microwave Soil Moisture For Use In Watershed Hydrology Applications

NASA Astrophysics Data System (ADS)

Fang, Bin

In recent years the passive microwave remote sensing has been providing soil moisture products using instruments on board satellite/airborne platforms. Spatial resolution has been restricted by the diameter of antenna which is inversely proportional to resolution. As a result, typical products have a spatial resolution of tens of kilometers, which is not compatible for some hydrological research applications. For this reason, the dissertation explores three disaggregation algorithms that estimate L-band passive microwave soil moisture at the subpixel level by using high spatial resolution remote sensing products from other optical and radar instruments were proposed and implemented in this investigation. The first technique utilized a thermal inertia theory to establish a relationship between daily temperature change and average soil moisture modulated by the vegetation condition was developed by using NLDAS, AVHRR, SPOT and MODIS data were applied to disaggregate the 25 km AMSR-E soil moisture to 1 km in Oklahoma. The second algorithm was built on semi empirical physical models (NP89 and LP92) derived from numerical experiments between soil evaporation efficiency and soil moisture over the surface skin sensing depth (a few millimeters) by using simulated soil temperature derived from MODIS and NLDAS as well as AMSR-E soil moisture at 25 km to disaggregate the coarse resolution soil moisture to 1 km in Oklahoma. The third algorithm modeled the relationship between the change in co-polarized radar backscatter and the remotely sensed microwave change in soil moisture retrievals and assumed that change in soil moisture was a function of only the canopy opacity. The change detection algorithm was implemented using aircraft based the remote sensing data from PALS and UAVSAR that were collected in SMPAVEX12 in southern Manitoba, Canada. The PALS L-band h-polarization radiometer soil moisture retrievals were disaggregated by combining them with the PALS and UAVSAR L-band hh-polarization radar spatial resolutions of 1500 m and 5 m/800 m, respectively. All three algorithms were validated using ground measurements from network in situ stations or handheld hydra probes. The validation results demonstrate the practicability on coarse resolution passive microwave soil moisture products.

Models of Mars' atmosphere (1974)

NASA Technical Reports Server (NTRS)

1974-01-01

Atmospheric models for support of design and mission planning of space vehicles that are to orbit the planet Mars, enter its atmosphere, or land on the surface are presented. Quantitative data for the Martian atmosphere were obtained from Earth-base observations and from spacecraft that have orbited Mars or passed within several planetary radii. These data were used in conjunction with existing theories of planetary atmospheres to predict other characteristics of the Martian atmosphere. Earth-based observations provided information on the composition, temperature, and optical properties of Mars with rather coarse spatial resolution, whereas spacecraft measurements yielded data on composition, temperature, pressure, density, and atmospheric structure with moderately good spatial resolution. The models provide the temperature, pressure, and density profiles required to perform basic aerodynamic analyses. The profiles are supplemented by computed values of viscosity, specific heat, and speed of sound.

Spatial downscaling of SMAP soil moisture using MODIS land surface temperature and NDVI during SMAPVEX15

USDA-ARS?s Scientific Manuscript database

The SMAP (Soil Moisture Active Passive) mission provides global surface soil moisture product at 36 km resolution from its L-band radiometer. While the coarse resolution is satisfactory to many applications there are also a lot of applications which would benefit from a higher resolution soil moistu...

Physical Controls on Oxygen Distribution and Denitrification Potential in the North West Arabian Sea

NASA Astrophysics Data System (ADS)

Queste, Bastien Y.; Vic, Clément; Heywood, Karen J.; Piontkovski, Sergey A.

2018-05-01

At suboxic oxygen concentrations, key biogeochemical cycles change and denitrification becomes the dominant remineralization pathway. Earth system models predict oxygen loss across most ocean basins in the next century; oxygen minimum zones near suboxia may become suboxic and therefore denitrifying. Using an ocean glider survey and historical data, we show oxygen loss in the Gulf of Oman (from 6-12 to <2 μmol kg-1) not represented in climatologies. Because of the nonlinearity between denitrification and oxygen concentration, resolutions of current Earth system models are too coarse to accurately estimate denitrification. We develop a novel physical proxy for oxygen from the glider data and use a high-resolution physical model to show eddy stirring of oxygen across the Gulf of Oman. We use the model to investigate spatial and seasonal differences in the ratio of oxic and suboxic water across the Gulf of Oman and waters exported to the wider Arabian Sea.

Sensitivity of the summertime tropical Atlantic precipitation distribution to convective parameterization and model resolution in ECHAM6

DOE PAGES

Siongco, Angela Cheska; Hohenegger, Cathy; Stevens, Bjorn

2017-02-09

A realistic simulation of the tropical Atlantic precipitation distribution remains a challenge for atmospheric general circulation models, owing to their too coarse resolution that makes it necessary to parameterize convection. During boreal summer, models tend to underestimate the northward shift of the tropical Atlantic rain belt, leading to deficient precipitation over land and an anomalous precipitation maximum over the west Atlantic ocean. In this study, the model ECHAM6 is used to test the sensitivity of the precipitation biases to convective parameterization and horizontal resolution. Two sets of sensitivity experiments are performed. In the first set of experiments, modifications are appliedmore » to the convection scheme in order to investigate the relative roles of the trigger, entrainment, and closure formulations. In the second set, the model is run at high resolution with low-resolution boundary conditions in order to identify the relative contributions of a high-resolution atmosphere, orography, and surface. Results show that the dry bias over land in the model can be reduced by weakening the entrainment rate over land. Over ocean, it is found that the anomalous precipitation maximum occurs because of model choices that decrease the sensitivity of convection to the monsoon circulation in the east Atlantic. A reduction of the west Atlantic precipitation bias can be achieved by (i) using a moisture convergence closure, (ii) increasing the resolution of orography, or (iii) enhancing the production of deep convection in the east Atlantic. As a result, the biases over land and over ocean do not impact each other.« less

Rosetta FlexPepDock ab-initio: simultaneous folding, docking and refinement of peptides onto their receptors.

PubMed

Raveh, Barak; London, Nir; Zimmerman, Lior; Schueler-Furman, Ora

2011-04-29

Flexible peptides that fold upon binding to another protein molecule mediate a large number of regulatory interactions in the living cell and may provide highly specific recognition modules. We present Rosetta FlexPepDock ab-initio, a protocol for simultaneous docking and de-novo folding of peptides, starting from an approximate specification of the peptide binding site. Using the Rosetta fragments library and a coarse-grained structural representation of the peptide and the receptor, FlexPepDock ab-initio samples efficiently and simultaneously the space of possible peptide backbone conformations and rigid-body orientations over the receptor surface of a given binding site. The subsequent all-atom refinement of the coarse-grained models includes full side-chain modeling of both the receptor and the peptide, resulting in high-resolution models in which key side-chain interactions are recapitulated. The protocol was applied to a benchmark in which peptides were modeled over receptors in either their bound backbone conformations or in their free, unbound form. Near-native peptide conformations were identified in 18/26 of the bound cases and 7/14 of the unbound cases. The protocol performs well on peptides from various classes of secondary structures, including coiled peptides with unusual turns and kinks. The results presented here significantly extend the scope of state-of-the-art methods for high-resolution peptide modeling, which can now be applied to a wide variety of peptide-protein interactions where no prior information about the peptide backbone conformation is available, enabling detailed structure-based studies and manipulation of those interactions. © 2011 Raveh et al.

Rosetta FlexPepDock ab-initio: Simultaneous Folding, Docking and Refinement of Peptides onto Their Receptors

PubMed Central

Raveh, Barak; London, Nir; Zimmerman, Lior; Schueler-Furman, Ora

2011-01-01

Flexible peptides that fold upon binding to another protein molecule mediate a large number of regulatory interactions in the living cell and may provide highly specific recognition modules. We present Rosetta FlexPepDock ab-initio, a protocol for simultaneous docking and de-novo folding of peptides, starting from an approximate specification of the peptide binding site. Using the Rosetta fragments library and a coarse-grained structural representation of the peptide and the receptor, FlexPepDock ab-initio samples efficiently and simultaneously the space of possible peptide backbone conformations and rigid-body orientations over the receptor surface of a given binding site. The subsequent all-atom refinement of the coarse-grained models includes full side-chain modeling of both the receptor and the peptide, resulting in high-resolution models in which key side-chain interactions are recapitulated. The protocol was applied to a benchmark in which peptides were modeled over receptors in either their bound backbone conformations or in their free, unbound form. Near-native peptide conformations were identified in 18/26 of the bound cases and 7/14 of the unbound cases. The protocol performs well on peptides from various classes of secondary structures, including coiled peptides with unusual turns and kinks. The results presented here significantly extend the scope of state-of-the-art methods for high-resolution peptide modeling, which can now be applied to a wide variety of peptide-protein interactions where no prior information about the peptide backbone conformation is available, enabling detailed structure-based studies and manipulation of those interactions. PMID:21572516

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.

A Coarse-to-Fine Geometric Scale-Invariant Feature Transform for Large Size High Resolution Satellite Image Registration

PubMed Central

Chang, Xueli; Du, Siliang; Li, Yingying; Fang, Shenghui

2018-01-01

Large size high resolution (HR) satellite image matching is a challenging task due to local distortion, repetitive structures, intensity changes and low efficiency. In this paper, a novel matching approach is proposed for the large size HR satellite image registration, which is based on coarse-to-fine strategy and geometric scale-invariant feature transform (SIFT). In the coarse matching step, a robust matching method scale restrict (SR) SIFT is implemented at low resolution level. The matching results provide geometric constraints which are then used to guide block division and geometric SIFT in the fine matching step. The block matching method can overcome the memory problem. In geometric SIFT, with area constraints, it is beneficial for validating the candidate matches and decreasing searching complexity. To further improve the matching efficiency, the proposed matching method is parallelized using OpenMP. Finally, the sensing image is rectified to the coordinate of reference image via Triangulated Irregular Network (TIN) transformation. Experiments are designed to test the performance of the proposed matching method. The experimental results show that the proposed method can decrease the matching time and increase the number of matching points while maintaining high registration accuracy. PMID:29702589

Genetic particle filter application to land surface temperature downscaling

NASA Astrophysics Data System (ADS)

Mechri, Rihab; Ottlé, Catherine; Pannekoucke, Olivier; Kallel, Abdelaziz

2014-03-01

Thermal infrared data are widely used for surface flux estimation giving the possibility to assess water and energy budgets through land surface temperature (LST). Many applications require both high spatial resolution (HSR) and high temporal resolution (HTR), which are not presently available from space. It is therefore necessary to develop methodologies to use the coarse spatial/high temporal resolutions LST remote-sensing products for a better monitoring of fluxes at appropriate scales. For that purpose, a data assimilation method was developed to downscale LST based on particle filtering. The basic tenet of our approach is to constrain LST dynamics simulated at both HSR and HTR, through the optimization of aggregated temperatures at the coarse observation scale. Thus, a genetic particle filter (GPF) data assimilation scheme was implemented and applied to a land surface model which simulates prior subpixel temperatures. First, the GPF downscaling scheme was tested on pseudoobservations generated in the framework of the study area landscape (Crau-Camargue, France) and climate for the year 2006. The GPF performances were evaluated against observation errors and temporal sampling. Results show that GPF outperforms prior model estimations. Finally, the GPF method was applied on Spinning Enhanced Visible and InfraRed Imager time series and evaluated against HSR data provided by an Advanced Spaceborne Thermal Emission and Reflection Radiometer image acquired on 26 July 2006. The temperatures of seven land cover classes present in the study area were estimated with root-mean-square errors less than 2.4 K which is a very promising result for downscaling LST satellite products.

Thermodynamics of adaptive molecular resolution

NASA Astrophysics Data System (ADS)

Delgado-Buscalioni, R.

2016-11-01

A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U(1)-U(0). The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al., J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as `real' thermodynamic variables. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.

Quantitative Comparisons of a Coarse-Grid LES with Experimental Data for Backward-Facing Step Flow

NASA Astrophysics Data System (ADS)

McDonough, J. M.

1999-11-01

A novel approach to LES employing an additive decomposition of both solutions and governing equations (similar to ``multi-level'' approaches of Dubois et al.,Dynamic Multilevel Methods and the Simulation of Turbulence, Cambridge University Press, 1999) is presented; its main structural features are lack of filtering of governing equations (instead, solutions are filtered to remove aliasing due to under resolution) and direct modeling of subgrid-scale primitive variables (rather than modeling their correlations) in the manner proposed by Hylin and McDonough (Int. J. Fluid Mech. Res. 26, 228-256, 1999). A 2-D implementation of this formalism is applied to the backward-facing step flow studied experimentally by Driver and Seegmiller (AIAA J. 23, 163-171, 1985) and Driver et al. (AIAA J. 25, 914-919, 1987), and run on grids sufficiently coarse to permit easy extension to 3-D, industrially-realistic problems. Comparisons of computed and experimental mean quantities (velocity profiles, turbulence kinetic energy, reattachment lengths, etc.) and effects of grid refinement will be presented.

A New Approach in Downscaling Microwave Soil Moisture Product using Machine Learning

NASA Astrophysics Data System (ADS)

Abbaszadeh, Peyman; Yan, Hongxiang; Moradkhani, Hamid

2016-04-01

Understating the soil moisture pattern has significant impact on flood modeling, drought monitoring, and irrigation management. Although satellite retrievals can provide an unprecedented spatial and temporal resolution of soil moisture at a global-scale, their soil moisture products (with a spatial resolution of 25-50 km) are inadequate for regional study, where a resolution of 1-10 km is needed. In this study, a downscaling approach using Genetic Programming (GP), a specialized version of Genetic Algorithm (GA), is proposed to improve the spatial resolution of satellite soil moisture products. The GP approach was applied over a test watershed in United States using the coarse resolution satellite data (25 km) from Advanced Microwave Scanning Radiometer - EOS (AMSR-E) soil moisture products, the fine resolution data (1 km) from Moderate Resolution Imaging Spectroradiometer (MODIS) vegetation index, and ground based data including land surface temperature, vegetation and other potential physical variables. The results indicated the great potential of this approach to derive the fine resolution soil moisture information applicable for data assimilation and other regional studies.

Hierarchical Coarse-Graining Via a Generalized Yvon-Born Green Framework: Many-Body Correlations, Mappings, and Structural Accuracy

NASA Astrophysics Data System (ADS)

Rudzinski, Joseph F.

Atomically-detailed molecular dynamics simulations have emerged as one of the most powerful theoretic tools for studying complex, condensed-phase systems. Despite their ability to provide incredible molecular insight, these simulations are insufficient for investigating complex biological processes, e.g., protein folding or molecular aggregation, on relevant length and time scales. The increasing scope and sophistication of atomically-detailed models has motivated the development of "hierarchical" approaches, which parameterize a low resolution, coarse-grained (CG) model based on simulations of an atomically-detailed model. The utility of hierarchical CG models depends on their ability to accurately incorporate the correct physics of the underlying model. One approach for ensuring this "consistency" between the models is to parameterize the CG model to reproduce the structural ensemble generated by the high resolution model. The many-body potential of mean force is the proper CG energy function for reproducing all structural distributions of the atomically-detailed model, at the CG level of resolution. However, this CG potential is a configuration-dependent free energy function that is generally too complicated to represent or simulate. The multiscale coarse-graining (MS-CG) method employs a generalized Yvon-Born-Green (g-YBG) relation to directly determine a variationally optimal approximation to the many-body potential of mean force. The MS-CG/g-YBG method provides a convenient and transparent framework for investigating the equilibrium structure of the system, at the CG level of resolution. In this work, we investigate the fundamental limitations and approximations of the MS-CG/g-YBG method. Throughout the work, we propose several theoretic constructs to directly relate the MS-CG/g-YBG method to other popular structure-based CG approaches. We investigate the physical interpretation of the MS-CG/g-YBG correlation matrix, the quantity responsible for disentangling the various contributions to the average force on a CG site. We then employ an iterative extension of the MS-CG/g-YBG method that improves the accuracy of a particular set of low order correlation functions relative to the original MS-CG/g-YBG model. We demonstrate that this method provides a powerful framework for identifying the precise source of error in an MS-CG/g-YBG model. We then propose a method for identifying an optimal CG representation, prior to the development of the CG model. We employ these techniques together to demonstrate that in the cases where the MS-CG/g-YBG method fails to determine an accurate model, a fundamental problem likely exists with the chosen CG representation or interaction set. Additionally, we explicitly demonstrate that while the iterative model successfully improves the accuracy of the low order structure, it does so by distorting the higher order structural correlations relative to the underlying model. Finally, we apply these methods to investigate the utility of the MS-CG/g- YBG method for developing models for systems with complex intramolecular structure. Overall, our results demonstrate the power of the g-YBG framework for developing accurate CG models and for investigating the driving forces of equilibrium structures for complex condensed-phase systems. This work also explicitly motivates future development of bottom-up CG methods and highlights some outstanding problems in the field. iii.

Classification and Accuracy Assessment for Coarse Resolution Mapping within the Great Lakes Basin, USA

EPA Science Inventory

This study applied a phenology-based land-cover classification approach across the Laurentian Great Lakes Basin (GLB) using time-series data consisting of 23 Moderate Resolution Imaging Spectroradiometer (MODIS) Normalized Difference Vegetation Index (NDVI) composite images (250 ...

A two-way nesting procedure for the WAM model: Application to the Spanish coast

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

Lahoz, M.G.; Albiach, J.C.C.

1997-02-01

The performance of the standard one-way nesting procedure for a regional application of a third-generation wave model is investigated. It is found that this nesting procedure is not applicable when the resolution has to be enhanced drastically, unless intermediate grids are placed between the coarse and the fine grid areas. This solution, in turn, requires an excess of computing resources. A two-way nesting procedure is developed and implemented in the model. Advantages and disadvantages of both systems are discussed. The model output for a test case is compared with observed data and the results are discussed in the paper.

Impact of Variable-Resolution Meshes on Regional Climate Simulations

NASA Astrophysics Data System (ADS)

Fowler, L. D.; Skamarock, W. C.; Bruyere, C. L.

2014-12-01

The Model for Prediction Across Scales (MPAS) is currently being used for seasonal-scale simulations on globally-uniform and regionally-refined meshes. Our ongoing research aims at analyzing simulations of tropical convective activity and tropical cyclone development during one hurricane season over the North Atlantic Ocean, contrasting statistics obtained with a variable-resolution mesh against those obtained with a quasi-uniform mesh. Analyses focus on the spatial distribution, frequency, and intensity of convective and grid-scale precipitations, and their relative contributions to the total precipitation as a function of the horizontal scale. Multi-month simulations initialized on May 1st 2005 using ERA-Interim re-analyses indicate that MPAS performs satisfactorily as a regional climate model for different combinations of horizontal resolutions and transitions between the coarse and refined meshes. Results highlight seamless transitions for convection, cloud microphysics, radiation, and land-surface processes between the quasi-uniform and locally- refined meshes, despite the fact that the physics parameterizations were not developed for variable resolution meshes. Our goal of analyzing the performance of MPAS is twofold. First, we want to establish that MPAS can be successfully used as a regional climate model, bypassing the need for nesting and nudging techniques at the edges of the computational domain as done in traditional regional climate modeling. Second, we want to assess the performance of our convective and cloud microphysics parameterizations as the horizontal resolution varies between the lower-resolution quasi-uniform and higher-resolution locally-refined areas of the global domain.

Impact of Variable-Resolution Meshes on Regional Climate Simulations

NASA Astrophysics Data System (ADS)

Fowler, L. D.; Skamarock, W. C.; Bruyere, C. L.

2013-12-01

The Model for Prediction Across Scales (MPAS) is currently being used for seasonal-scale simulations on globally-uniform and regionally-refined meshes. Our ongoing research aims at analyzing simulations of tropical convective activity and tropical cyclone development during one hurricane season over the North Atlantic Ocean, contrasting statistics obtained with a variable-resolution mesh against those obtained with a quasi-uniform mesh. Analyses focus on the spatial distribution, frequency, and intensity of convective and grid-scale precipitations, and their relative contributions to the total precipitation as a function of the horizontal scale. Multi-month simulations initialized on May 1st 2005 using NCEP/NCAR re-analyses indicate that MPAS performs satisfactorily as a regional climate model for different combinations of horizontal resolutions and transitions between the coarse and refined meshes. Results highlight seamless transitions for convection, cloud microphysics, radiation, and land-surface processes between the quasi-uniform and locally-refined meshes, despite the fact that the physics parameterizations were not developed for variable resolution meshes. Our goal of analyzing the performance of MPAS is twofold. First, we want to establish that MPAS can be successfully used as a regional climate model, bypassing the need for nesting and nudging techniques at the edges of the computational domain as done in traditional regional climate modeling. Second, we want to assess the performance of our convective and cloud microphysics parameterizations as the horizontal resolution varies between the lower-resolution quasi-uniform and higher-resolution locally-refined areas of the global domain.

Modeling and Evaluation of the Global Sea-Salt Aerosol Distribution: Sensitivity to Emission Schemes and Resolution Effects at Coastal/Orographic Sites

NASA Technical Reports Server (NTRS)

Spada, M.; Jorba, O.; Perez Garcia-Pando, C.; Janjic, Z.; Baldasano, J. M.

2013-01-01

One of the major sources of uncertainty in model estimates of the global sea-salt aerosol distribution is the emission parameterization. We evaluate a new sea-salt aerosol life cycle module coupled to the online multi-scale chemical transport model NMMB/BSC-CTM. We compare 5 year global simulations using five state-of-the-art sea-salt open-ocean emission schemes with monthly averaged coarse aerosol optical depth (AOD) from selected AERONET sun photometers, surface concentration measurements from the University of Miami's Ocean Aerosol Network, and measurements from two NOAA/PMEL cruises (AEROINDOEX and ACE1). Model results are highly sensitive to the introduction of sea-surface-temperature (SST)-dependent emissions and to the accounting of spume particles production. Emission ranges from 3888 teragrams per year to 8114 teragrams per year, lifetime varies between 7.3 hours and 11.3 hours, and the average column mass load is between 5.0 teragrams and 7.2 teragrams. Coarse AOD is reproduced with an overall correlation of around 0.5 and with normalized biases ranging from +8.8 percent to +38.8 percent. Surface concentration is simulated with normalized biases ranging from minus 9.5 percent to plus 28 percent and the overall correlation is around 0.5. Our results indicate that SST-dependent emission schemes improve the overall model performance in reproducing surface concentrations. On the other hand, they lead to an overestimation of the coarse AOD at tropical latitudes, although it may be affected by uncertainties in the comparison due to the use of all-sky model AOD, the treatment of water uptake, deposition and optical properties in the model and/or an inaccurate size distribution at emission.

The added value of dynamical downscaling in a climate change scenario simulation:A case study for European Alps and East Asia

NASA Astrophysics Data System (ADS)

Im, Eun-Soon; Coppola, Erika; Giorgi, Filippo

2010-05-01

Since anthropogenic climate change is a rather important factor for the future human life all over the planet and its effects are not globally uniform, climate information at regional or local scales become more and more important for an accurate assessment of the potential impact of climate change on societies and ecosystems. High resolution information with suitably fine-scale for resolving complex geographical features could be a critical factor for successful linkage between climate models and impact assessment studies. However, scale mismatch between them still remains major problem. One method for overcoming the resolution limitations of global climate models and for adding regional details to coarse-grid global projections is to use dynamical downscaling by means of a regional climate model. In this study, the ECHAM5/MPI-OM (1.875 degree) A1B scenario simulation has been dynamically downscaled by using two different approaches within the framework of RegCM3 modeling system. First, a mosaic-type parameterization of subgrid-scale topography and land use (Sub-BATS) is applied over the European Alpine region. The Sub-BATS system is composed of 15 km coarse-grid cell and 3 km sub-grid cell. Second, we developed the RegCM3 one-way double-nested system, with the mother domain encompassing the eastern regions of Asia at 60 km grid spacing and the nested domain covering the Korean Peninsula at 20 km grid spacing. By comparing the regional climate model output and the driving global model ECHAM5/MPI-OM output, it is possible to estimate the added value of physically-based dynamical downscaling when for example impact studies at hydrological scale are performed.

Scaling properties of Arctic sea ice deformation in high-resolution viscous-plastic sea ice models and satellite observations

NASA Astrophysics Data System (ADS)

Hutter, Nils; Losch, Martin; Menemenlis, Dimitris

2017-04-01

Sea ice models with the traditional viscous-plastic (VP) rheology and very high grid resolution can resolve leads and deformation rates that are localised along Linear Kinematic Features (LKF). In a 1-km pan-Arctic sea ice-ocean simulation, the small scale sea-ice deformations in the Central Arctic are evaluated with a scaling analysis in relation to satellite observations of the Envisat Geophysical Processor System (EGPS). A new coupled scaling analysis for data on Eulerian grids determines the spatial and the temporal scaling as well as the coupling between temporal and spatial scales. The spatial scaling of the modelled sea ice deformation implies multi-fractality. The spatial scaling is also coupled to temporal scales and varies realistically by region and season. The agreement of the spatial scaling and its coupling to temporal scales with satellite observations and models with the modern elasto-brittle rheology challenges previous results with VP models at coarse resolution where no such scaling was found. The temporal scaling analysis, however, shows that the VP model does not fully resolve the intermittency of sea ice deformation that is observed in satellite data.

The Challenge of Simulating the Regional Climate over Florida

NASA Astrophysics Data System (ADS)

Misra, V.; Mishra, A. K.

2015-12-01

In this study we show that the unique geography of the peninsular Florida with close proximity to strong mesoscale surface ocean currents among other factors warrants the use of relatively high resolution climate models to project Florida's hydroclimate. In the absence of such high resolution climate models we highlight the deficiencies of two relatively coarse spatial resolution CMIP5 models with respect to the warm western boundary current of the Gulf Stream. As a consequence it affects the coastal SST and the land-ocean contrast, affecting the rainy summer seasonal precipitation accumulation over peninsular Florida. We also show this through two sensitivity studies conducted with a regional coupled ocean atmosphere model with different bathymetries that dislocate and modulate the strength of the Gulf Stream that locally affects the SST in the two simulations. These studies show that a stronger and more easterly displaced Gulf Stream produces warmer coastal SST's along the Atlantic coast of Florida that enhances the precipitation over peninsular Florida relative to the other regional climate model simulation. However the regional model simulations indicate that variability of wet season rainfall variability in peninsular Florida becomes less dependent on the land-ocean contrast with a stronger Gulf Stream current.

Simulation of monsoon intraseasonal oscillations in a coarse-resolution aquaplanet GCM

NASA Astrophysics Data System (ADS)

Ajayamohan, R. S.; Khouider, Boualem; Majda, Andrew J.

2014-08-01

The skill of the global climate models (GCMs) to realistically simulate the monsoon intraseasonal oscillations (MISOs) is related to the sensitivity of their convective parameterization schemes. Here we show that by coupling a simple multicloud parameterization to a coarse-resolution aquaplanet GCM, realistic MISOs can be simulated. We conduct three different simulations with a fixed nonhomogeneous sea surface temperature mimicking the Indian Ocean/western Pacific warm pool (WP) centered at the three latitudes 5°N, 10°N, and 15°N, respectively, to replicate the seasonal migration of the Tropical Convergence Zone (TCZ). This results in the generation of mean circulation resembling the monsoonal flow pattern in boreal summer. Succession of eastward propagating Madden-Julian Oscillation (MJO) disturbances with phase speed, amplitude, and structure similar to summer MJOs are simulated when the WP is at 5°N. When the WP is located over 10°N, northward and eastward propagating MISOs are simulated. This case captures the meridional seesaw of convection between continental and oceanic TCZ observed during boreal summer over South Asia. Westward propagating Rossby wave-like disturbances are simulated when the WP is over 15°N congruous with the synoptic disturbances seen over the monsoon trough. The initiation of intraseasonal oscillations in the model can occur internally through organization of convective events above the WP associated with internal dynamics.

A multi-temporal analysis approach for land cover mapping in support of nuclear incident response

NASA Astrophysics Data System (ADS)

Sah, Shagan; van Aardt, Jan A. N.; McKeown, Donald M.; Messinger, David W.

2012-06-01

Remote sensing can be used to rapidly generate land use maps for assisting emergency response personnel with resource deployment decisions and impact assessments. In this study we focus on constructing accurate land cover maps to map the impacted area in the case of a nuclear material release. The proposed methodology involves integration of results from two different approaches to increase classification accuracy. The data used included RapidEye scenes over Nine Mile Point Nuclear Power Station (Oswego, NY). The first step was building a coarse-scale land cover map from freely available, high temporal resolution, MODIS data using a time-series approach. In the case of a nuclear accident, high spatial resolution commercial satellites such as RapidEye or IKONOS can acquire images of the affected area. Land use maps from the two image sources were integrated using a probability-based approach. Classification results were obtained for four land classes - forest, urban, water and vegetation - using Euclidean and Mahalanobis distances as metrics. Despite the coarse resolution of MODIS pixels, acceptable accuracies were obtained using time series features. The overall accuracies using the fusion based approach were in the neighborhood of 80%, when compared with GIS data sets from New York State. The classifications were augmented using this fused approach, with few supplementary advantages such as correction for cloud cover and independence from time of year. We concluded that this method would generate highly accurate land maps, using coarse spatial resolution time series satellite imagery and a single date, high spatial resolution, multi-spectral image.

A PIXEL COMPOSITION-BASED REFERENCE DATA SET FOR THEMATIC ACCURACY ASSESSMENT

EPA Science Inventory

Developing reference data sets for accuracy assessment of land-cover classifications derived from coarse spatial resolution sensors such as MODIS can be difficult due to the large resolution differences between the image data and available reference data sources. Ideally, the spa...

Ozone Production in Global Tropospheric Models: Quantifying Errors due to Grid Resolution

NASA Astrophysics Data System (ADS)

Wild, O.; Prather, M. J.

2005-12-01

Ozone production in global chemical models is dependent on model resolution because ozone chemistry is inherently nonlinear, the timescales for chemical production are short, and precursors are artificially distributed over the spatial scale of the model grid. In this study we examine the sensitivity of ozone, its precursors, and its production to resolution by running a global chemical transport model at four different resolutions between T21 (5.6° × 5.6°) and T106 (1.1° × 1.1°) and by quantifying the errors in regional and global budgets. The sensitivity to vertical mixing through the parameterization of boundary layer turbulence is also examined. We find less ozone production in the boundary layer at higher resolution, consistent with slower chemical production in polluted emission regions and greater export of precursors. Agreement with ozonesonde and aircraft measurements made during the NASA TRACE-P campaign over the Western Pacific in spring 2001 is consistently better at higher resolution. We demonstrate that the numerical errors in transport processes at a given resolution converge geometrically for a tracer at successively higher resolutions. The convergence in ozone production on progressing from T21 to T42, T63 and T106 resolution is likewise monotonic but still indicates large errors at 120~km scales, suggesting that T106 resolution is still too coarse to resolve regional ozone production. Diagnosing the ozone production and precursor transport that follow a short pulse of emissions over East Asia in springtime allows us to quantify the impacts of resolution on both regional and global ozone. Production close to continental emission regions is overestimated by 27% at T21 resolution, by 13% at T42 resolution, and by 5% at T106 resolution, but subsequent ozone production in the free troposphere is less significantly affected.

Spatial imaging in the soft x-ray region (20--304 A) utilizing the astigmatism of a grazing incidence concave grating

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

Nudelfuden, A.; Solanki, R.; Moos, H.W.

1985-03-15

Soft x-ray (20--304--A) astigmatic line shapes were measured in order to evaluate the spatial imaging properties of a Rowland mounted concave grating in grazing incidence. The practicability of coarse 1-D spatial imaging in the soft x-ray region is demonstrated. Spatial resolution equivalent to approx.4 cm at a source distance of 2 m can be achieved with practical parameters (e.g., sensitivity and time resolution) for a fusion diagnostic spectrograph. The results are compared to computer-generated ray tracings and found to be in good agreement. The ray tracing program which models the grazing incidence optics is discussed.

[Intervention of coarse cereals on lipid metabolism in rats].

PubMed

Guo, Yanbo; Zhai, Chengkai; Wang, Yanli; Zhang, Qun; Ding, Zhoubo; Jin, Xin

2010-03-01

To observe the effect of coarse cereals on improving the disorder of lipid metabolism and the expression of PPARgamma mRNA in white adipose tissue in rats to investigate the mechanism of coarse cereals on lipid metabolism disorder. Forty four SPF rats were randomly divided into 4 groups: the negative control group was fed with normal diet and 3 experimental groups were fed with high-fat modeling diet for 6 weeks for model building. The 3 experimental groups, the coarse cereals group,rice-flour group and the hyperlipemia model group, were then fed with coarse cereals high-fat diet,rice-flour high-diet and high-fat modeling diet respectively for another 15 weeks. Compared with the hyperlipemia modeling group, serum TG, TC, IL-6 and TNF-alpha in the coarse cereals group were declined significantly (P < 0.05), serum HDL-C in coarse cereals group was higher than that in rice-flour group and hyperlipemia model group (P < 0.05), LPL, HL and TNF-alpha in coarse cereal group were close to the negative control group. Moreover, the expression of PPAR-gamma mRNA in white adipose tissue of the coarse cereals group was higher than other groups. The coarse cereals could activate PPARgamma and enhance the activity of key enzymes in lipids metabolism, so as to reduce the level of TG relieve inflammation and improve lipid dysmetabolism eventually.

Estimating Vegetation Rainfall Interception Using Remote Sensing Observations at Very High Resolution

NASA Astrophysics Data System (ADS)

Cui, Y.; Zhao, P.; Hong, Y.; Fan, W.; Yan, B.; Xie, H.

2017-12-01

Abstract: As an important compont of evapotranspiration, vegetation rainfall interception is the proportion of gross rainfall that is intercepted, stored and subsequently evaporated from all parts of vegetation during or following rainfall. Accurately quantifying the vegetation rainfall interception at a high resolution is critical for rainfall-runoff modeling and flood forecasting, and is also essential for understanding its further impact on local, regional, and even global water cycle dynamics. In this study, the Remote Sensing-based Gash model (RS-Gash model) is developed based on a modified Gash model for interception loss estimation using remote sensing observations at the regional scale, and has been applied and validated in the upper reach of the Heihe River Basin of China for different types of vegetation. To eliminate the scale error and the effect of mixed pixels, the RS-Gash model is applied at a fine scale of 30 m with the high resolution vegetation area index retrieved by using the unified model of bidirectional reflectance distribution function (BRDF-U) for the vegetation canopy. Field validation shows that the RMSE and R2 of the interception ratio are 3.7% and 0.9, respectively, indicating the model's strong stability and reliability at fine scale. The temporal variation of vegetation rainfall interception loss and its relationship with precipitation are further investigated. In summary, the RS-Gash model has demonstrated its effectiveness and reliability in estimating vegetation rainfall interception. When compared to the coarse resolution results, the application of this model at 30-m fine resolution is necessary to resolve the scaling issues as shown in this study. Keywords: rainfall interception; remote sensing; RS-Gash analytical model; high resolution

High resolution flow field prediction for tail rotor aeroacoustics

NASA Technical Reports Server (NTRS)

Quackenbush, Todd R.; Bliss, Donald B.

1989-01-01

The prediction of tail rotor noise due to the impingement of the main rotor wake poses a significant challenge to current analysis methods in rotorcraft aeroacoustics. This paper describes the development of a new treatment of the tail rotor aerodynamic environment that permits highly accurate resolution of the incident flow field with modest computational effort relative to alternative models. The new approach incorporates an advanced full-span free wake model of the main rotor in a scheme which reconstructs high-resolution flow solutions from preliminary, computationally inexpensive simulations with coarse resolution. The heart of the approach is a novel method for using local velocity correction terms to capture the steep velocity gradients characteristic of the vortex-dominated incident flow. Sample calculations have been undertaken to examine the principal types of interactions between the tail rotor and the main rotor wake and to examine the performance of the new method. The results of these sample problems confirm the success of this approach in capturing the high-resolution flows necessary for analysis of rotor-wake/rotor interactions with dramatically reduced computational cost. Computations of radiated sound are also carried out that explore the role of various portions of the main rotor wake in generating tail rotor noise.

Improved wetland classification using eight-band high-resolution satellite imagery and a hybrid approach

EPA Science Inventory

Although remote sensing technology has long been used in wetland inventory and monitoring, the accuracy and detail level of derived wetland maps were limited or often unsatisfactory largely due to the relatively coarse spatial resolution of conventional satellite imagery. This re...

Global Motions of the Nuclear Pore Complex: Insights from Elastic Network Models

PubMed Central

Lezon, Timothy R.; Sali, Andrej; Bahar, Ivet

2009-01-01

The nuclear pore complex (NPC) is the gate to the nucleus. Recent determination of the configuration of proteins in the yeast NPC at ∼5 nm resolution permits us to study the NPC global dynamics using coarse-grained structural models. We investigate these large-scale motions by using an extended elastic network model (ENM) formalism applied to several coarse-grained representations of the NPC. Two types of collective motions (global modes) are predicted by the ENMs to be intrinsically favored by the NPC architecture: global bending and extension/contraction from circular to elliptical shapes. These motions are shown to be robust against tested variations in the representation of the NPC, and are largely captured by a simple model of a toroid with axially varying mass density. We demonstrate that spoke multiplicity significantly affects the accessible number of symmetric low-energy modes of motion; the NPC-like toroidal structures composed of 8 spokes have access to highly cooperative symmetric motions that are inaccessible to toroids composed of 7 or 9 spokes. The analysis reveals modes of motion that may facilitate macromolecular transport through the NPC, consistent with previous experimental observations. PMID:19730674

Global motions of the nuclear pore complex: insights from elastic network models.

PubMed

Lezon, Timothy R; Sali, Andrej; Bahar, Ivet

2009-09-01

The nuclear pore complex (NPC) is the gate to the nucleus. Recent determination of the configuration of proteins in the yeast NPC at approximately 5 nm resolution permits us to study the NPC global dynamics using coarse-grained structural models. We investigate these large-scale motions by using an extended elastic network model (ENM) formalism applied to several coarse-grained representations of the NPC. Two types of collective motions (global modes) are predicted by the ENMs to be intrinsically favored by the NPC architecture: global bending and extension/contraction from circular to elliptical shapes. These motions are shown to be robust against tested variations in the representation of the NPC, and are largely captured by a simple model of a toroid with axially varying mass density. We demonstrate that spoke multiplicity significantly affects the accessible number of symmetric low-energy modes of motion; the NPC-like toroidal structures composed of 8 spokes have access to highly cooperative symmetric motions that are inaccessible to toroids composed of 7 or 9 spokes. The analysis reveals modes of motion that may facilitate macromolecular transport through the NPC, consistent with previous experimental observations.

Comparison of alternative spatial resolutions in the application of a spatially distributed biogeochemical model over complex terrain

USGS Publications Warehouse

Turner, D.P.; Dodson, R.; Marks, D.

1996-01-01

Spatially distributed biogeochemical models may be applied over grids at a range of spatial resolutions, however, evaluation of potential errors and loss of information at relatively coarse resolutions is rare. In this study, a georeferenced database at the 1-km spatial resolution was developed to initialize and drive a process-based model (Forest-BGC) of water and carbon balance over a gridded 54976 km2 area covering two river basins in mountainous western Oregon. Corresponding data sets were also prepared at 10-km and 50-km spatial resolutions using commonly employed aggregation schemes. Estimates were made at each grid cell for climate variables including daily solar radiation, air temperature, humidity, and precipitation. The topographic structure, water holding capacity, vegetation type and leaf area index were likewise estimated for initial conditions. The daily time series for the climatic drivers was developed from interpolations of meteorological station data for the water year 1990 (1 October 1989-30 September 1990). Model outputs at the 1-km resolution showed good agreement with observed patterns in runoff and productivity. The ranges for model inputs at the 10-km and 50-km resolutions tended to contract because of the smoothed topography. Estimates for mean evapotranspiration and runoff were relatively insensitive to changing the spatial resolution of the grid whereas estimates of mean annual net primary production varied by 11%. The designation of a vegetation type and leaf area at the 50-km resolution often subsumed significant heterogeneity in vegetation, and this factor accounted for much of the difference in the mean values for the carbon flux variables. Although area wide means for model outputs were generally similar across resolutions, difference maps often revealed large areas of disagreement. Relatively high spatial resolution analyses of biogeochemical cycling are desirable from several perspectives and may be particularly important in the study of the potential impacts of climate change.

Challenges of Representing Sub-Grid Physics in an Adaptive Mesh Refinement Atmospheric Model

NASA Astrophysics Data System (ADS)

O'Brien, T. A.; Johansen, H.; Johnson, J. N.; Rosa, D.; Benedict, J. J.; Keen, N. D.; Collins, W.; Goodfriend, E.

2015-12-01

Some of the greatest potential impacts from future climate change are tied to extreme atmospheric phenomena that are inherently multiscale, including tropical cyclones and atmospheric rivers. Extremes are challenging to simulate in conventional climate models due to existing models' coarse resolutions relative to the native length-scales of these phenomena. Studying the weather systems of interest requires an atmospheric model with sufficient local resolution, and sufficient performance for long-duration climate-change simulations. To this end, we have developed a new global climate code with adaptive spatial and temporal resolution. The dynamics are formulated using a block-structured conservative finite volume approach suitable for moist non-hydrostatic atmospheric dynamics. By using both space- and time-adaptive mesh refinement, the solver focuses computational resources only where greater accuracy is needed to resolve critical phenomena. We explore different methods for parameterizing sub-grid physics, such as microphysics, macrophysics, turbulence, and radiative transfer. In particular, we contrast the simplified physics representation of Reed and Jablonowski (2012) with the more complex physics representation used in the System for Atmospheric Modeling of Khairoutdinov and Randall (2003). We also explore the use of a novel macrophysics parameterization that is designed to be explicitly scale-aware.

Satellite-enhanced dynamical downscaling for the analysis of extreme events

NASA Astrophysics Data System (ADS)

Nunes, Ana M. B.

2016-09-01

The use of regional models in the downscaling of general circulation models provides a strategy to generate more detailed climate information. In that case, boundary-forcing techniques can be useful to maintain the large-scale features from the coarse-resolution global models in agreement with the inner modes of the higher-resolution regional models. Although those procedures might improve dynamics, downscaling via regional modeling still aims for better representation of physical processes. With the purpose of improving dynamics and physical processes in regional downscaling of global reanalysis, the Regional Spectral Model—originally developed at the National Centers for Environmental Prediction—employs a newly reformulated scale-selective bias correction, together with the 3-hourly assimilation of the satellite-based precipitation estimates constructed from the Climate Prediction Center morphing technique. The two-scheme technique for the dynamical downscaling of global reanalysis can be applied in analyses of environmental disasters and risk assessment, with hourly outputs, and resolution of about 25 km. Here the satellite-enhanced dynamical downscaling added value is demonstrated in simulations of the first reported hurricane in the western South Atlantic Ocean basin through comparisons with global reanalyses and satellite products available in ocean areas.

A Coarse-grained Model of Stratum Corneum Lipids: Free Fatty Acids and Ceramide NS

PubMed Central

Moore, Timothy C.; Iacovella, Christopher R.; Hartkamp, Remco; Bunge, Annette L.; McCabe, Clare

2017-01-01

Ceramide (CER)-based biological membranes are used both experimentally and in simulations as simplified model systems of the skin barrier. Molecular dynamics studies have generally focused on simulating preassembled structures using atomistically detailed models of CERs, which limit the system sizes and timescales that can practically be probed, rendering them ineffective for studying particular phenomena, including self-assembly into bilayer and lamellar superstructures. Here, we report on the development of a coarse-grained (CG) model for CER NS, the most abundant CER in human stratum corneum. Multistate iterative Boltzmann inversion is used to derive the intermolecular pair potentials, resulting in a force field that is applicable over a range of state points and suitable for studying ceramide self-assembly. The chosen CG mapping, which includes explicit interaction sites for hydroxyl groups, captures the directional nature of hydrogen bonding and allows for accurate predictions of several key structural properties of CER NS bilayers. Simulated wetting experiments allow the hydrophobicity of CG beads to be accurately tuned to match atomistic wetting behavior, which affects the whole system since inaccurate hydrophobic character is found to unphysically alter the lipid packing in hydrated lamellar states. We find that CER NS can self-assemble into multilamellar structures, enabling the study of lipid systems more representative of the multilamellar lipid structures present in the skin barrier. The coarse-grained force field derived herein represents an important step in using molecular dynamics to study the human skin barrier, which gives a resolution not available through experiment alone. PMID:27564869

Benchmarking urban flood models of varying complexity and scale using high resolution terrestrial LiDAR data

NASA Astrophysics Data System (ADS)

Fewtrell, Timothy J.; Duncan, Alastair; Sampson, Christopher C.; Neal, Jeffrey C.; Bates, Paul D.

2011-01-01

This paper describes benchmark testing of a diffusive and an inertial formulation of the de St. Venant equations implemented within the LISFLOOD-FP hydraulic model using high resolution terrestrial LiDAR data. The models are applied to a hypothetical flooding scenario in a section of Alcester, UK which experienced significant surface water flooding in the June and July floods of 2007 in the UK. The sensitivity of water elevation and velocity simulations to model formulation and grid resolution are analyzed. The differences in depth and velocity estimates between the diffusive and inertial approximations are within 10% of the simulated value but inertial effects persist at the wetting front in steep catchments. Both models portray a similar scale dependency between 50 cm and 5 m resolution which reiterates previous findings that errors in coarse scale topographic data sets are significantly larger than differences between numerical approximations. In particular, these results confirm the need to distinctly represent the camber and curbs of roads in the numerical grid when simulating surface water flooding events. Furthermore, although water depth estimates at grid scales coarser than 1 m appear robust, velocity estimates at these scales seem to be inconsistent compared to the 50 cm benchmark. The inertial formulation is shown to reduce computational cost by up to three orders of magnitude at high resolutions thus making simulations at this scale viable in practice compared to diffusive models. For the first time, this paper highlights the utility of high resolution terrestrial LiDAR data to inform small-scale flood risk management studies.

Thermodynamics of adaptive molecular resolution.

PubMed

Delgado-Buscalioni, R

2016-11-13

A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U (1) -U (0) The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al, J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as 'real' thermodynamic variablesThis article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

Scaling between reanalyses and high-resolution land-surface modelling in mountainous areas - enabling better application and testing of reanalyses in heterogeneous environments

NASA Astrophysics Data System (ADS)

Gruber, S.; Fiddes, J.

2013-12-01

In mountainous topography, the difference in scale between atmospheric reanalyses (typically tens of kilometres) and relevant processes and phenomena near the Earth surface, such as permafrost or snow cover (meters to tens of meters) is most obvious. This contrast of scales is one of the major obstacles to using reanalysis data for the simulation of surface phenomena and to confronting reanalyses with independent observation. At the example of modelling permafrost in mountain areas (but simple to generalise to other phenomena and heterogeneous environments), we present and test methods against measurements for (A) scaling atmospheric data from the reanalysis to the ground level and (B) smart sampling of the heterogeneous landscape in order to set up a lumped model simulation that represents the high-resolution land surface. TopoSCALE (Part A, see http://dx.doi.org/10.5194/gmdd-6-3381-2013) is a scheme, which scales coarse-grid climate fields to fine-grid topography using pressure level data. In addition, it applies necessary topographic corrections e.g. those variables required for computation of radiation fields. This provides the necessary driving fields to the LSM. Tested against independent ground data, this scheme has been shown to improve the scaling and distribution of meteorological parameters in complex terrain, as compared to conventional methods, e.g. lapse rate based approaches. TopoSUB (Part B, see http://dx.doi.org/10.5194/gmd-5-1245-2012) is a surface pre-processor designed to sample a fine-grid domain (defined by a digital elevation model) along important topographical (or other) dimensions through a clustering scheme. This allows constructing a lumped model representing the main sources of fine-grid variability and applying a 1D LSM efficiently over large areas. Results can processed to derive (i) summary statistics at coarse-scale re-analysis grid resolution, (ii) high-resolution data fields spatialized to e.g., the fine-scale digital elevation model grid, or (iii) validation products for locations at which measurements exist, only. The ability of TopoSUB to approximate results simulated by a 2D distributed numerical LSM at a factor of ~10,000 less computations is demonstrated by comparison of 2D and lumped simulations. Successful application of the combined scheme in the European Alps is reported and based on its results, open issues for future research are outlined.

Errors and improvements in the use of archived meteorological data for chemical transport modeling: an analysis using GEOS-Chem v11-01 driven by GEOS-5 meteorology

NASA Astrophysics Data System (ADS)

Yu, Karen; Keller, Christoph A.; Jacob, Daniel J.; Molod, Andrea M.; Eastham, Sebastian D.; Long, Michael S.

2018-01-01

Global simulations of atmospheric chemistry are commonly conducted with off-line chemical transport models (CTMs) driven by archived meteorological data from general circulation models (GCMs). The off-line approach has the advantages of simplicity and expediency, but it incurs errors due to temporal averaging in the meteorological archive and the inability to reproduce the GCM transport algorithms exactly. The CTM simulation is also often conducted at coarser grid resolution than the parent GCM. Here we investigate this cascade of CTM errors by using 222Rn-210Pb-7Be chemical tracer simulations off-line in the GEOS-Chem CTM at rectilinear 0.25° × 0.3125° (≈ 25 km) and 2° × 2.5° (≈ 200 km) resolutions and online in the parent GEOS-5 GCM at cubed-sphere c360 (≈ 25 km) and c48 (≈ 200 km) horizontal resolutions. The c360 GEOS-5 GCM meteorological archive, updated every 3 h and remapped to 0.25° × 0.3125°, is the standard operational product generated by the NASA Global Modeling and Assimilation Office (GMAO) and used as input by GEOS-Chem. We find that the GEOS-Chem 222Rn simulation at native 0.25° × 0.3125° resolution is affected by vertical transport errors of up to 20 % relative to the GEOS-5 c360 online simulation, in part due to loss of transient organized vertical motions in the GCM (resolved convection) that are temporally averaged out in the 3 h meteorological archive. There is also significant error caused by operational remapping of the meteorological archive from a cubed-sphere to a rectilinear grid. Decreasing the GEOS-Chem resolution from 0.25° × 0.3125° to 2° × 2.5° induces further weakening of vertical transport as transient vertical motions are averaged out spatially and temporally. The resulting 222Rn concentrations simulated by the coarse-resolution GEOS-Chem are overestimated by up to 40 % in surface air relative to the online c360 simulations and underestimated by up to 40 % in the upper troposphere, while the tropospheric lifetimes of 210Pb and 7Be against aerosol deposition are affected by 5-10 %. The lost vertical transport in the coarse-resolution GEOS-Chem simulation can be partly restored by recomputing the convective mass fluxes at the appropriate resolution to replace the archived convective mass fluxes and by correcting for bias in the spatial averaging of boundary layer mixing depths.

Eastern equatorial Pacific sea surface temperature annual cycle in the Kiel climate model: simulation benefits from enhancing atmospheric resolution

NASA Astrophysics Data System (ADS)

Wengel, C.; Latif, M.; Park, W.; Harlaß, J.; Bayr, T.

2018-05-01

A long-standing difficulty of climate models is to capture the annual cycle (AC) of eastern equatorial Pacific (EEP) sea surface temperature (SST). In this study, we first examine the EEP SST AC in a set of integrations of the coupled Kiel Climate Model, in which only atmosphere model resolution differs. When employing coarse horizontal and vertical atmospheric resolution, significant biases in the EEP SST AC are observed. These are reflected in an erroneous timing of the cold tongue's onset and termination as well as in an underestimation of the boreal spring warming amplitude. A large portion of these biases are linked to a wrong simulation of zonal surface winds, which can be traced back to precipitation biases on both sides of the equator and an erroneous low-level atmospheric circulation over land. Part of the SST biases also is related to shortwave radiation biases related to cloud cover biases. Both wind and cloud cover biases are inherent to the atmospheric component, as shown by companion uncoupled atmosphere model integrations forced by observed SSTs. Enhancing atmosphere model resolution, horizontal and vertical, markedly reduces zonal wind and cloud cover biases in coupled as well as uncoupled mode and generally improves simulation of the EEP SST AC. Enhanced atmospheric resolution reduces convection biases and improves simulation of surface winds over land. Analysis of a subset of models from the Coupled Model Intercomparison Project phase 5 (CMIP5) reveals that in these models, very similar mechanisms are at work in driving EEP SST AC biases.

The Impact of Infiltration Losses and Model Resolution on the Simulated Hydrometeorological Response of a Semi-Arid Catchment

NASA Astrophysics Data System (ADS)

Mitchell, M. F.; Goodrich, D. C.; Gochis, D. J.; Lahmers, T. M.

2017-12-01

In semi-arid environments with complex terrain, redistribution of moisture occurs through runoff, stream infiltration, and regional groundwater flow. In semi-arid regions, stream infiltration has been shown to account for 10-40% of total recharge in high runoff years. These processes can potentially significantly alter land-atmosphere interactions through changes in sensible and latent heat release. However, currently, their overall impact is still unclear as historical model simulations generally made use of a coarse grid resolution, where these smaller-scale processes were either parameterized or not accounted for. To improve our understanding on the importance of stream infiltration and our ability to represent them in a coupled land-atmosphere model, this study focuses on the Walnut Gulch Experimental Watershed (WGEW) and Long-Term Agro-ecosystem Research (LTAR) site, surrounding the city of Tombstone, AZ. High-resolution surface precipitation, meteorological forcing and distributed runoff measurements have been obtained in WGEW since the 1960s. These data will be used as input for the spatially distributed WRF-Hydro model, a spatially distributed hydrological model that uses the NOAH-MP land surface model. Recently, we have implemented an infiltration loss scheme to WRF-Hydro. We will present the performance of WRF-Hydro to account for stream infiltration by comparing model simulation with in-situ observations. More specifically, as the performance of the model simulations has been shown to depend on the used model grid resolution, in the current work results will present WRF-Hydro simulations obtained at different pixel resolution (10-1000m).

Downscaling SMAP Soil Moisture Using Geoinformation Data and Geostatistics

NASA Astrophysics Data System (ADS)

Xu, Y.; Wang, L.

2017-12-01

Soil moisture is important for agricultural and hydrological studies. However, ground truth soil moisture data for wide area is difficult to achieve. Microwave remote sensing such as Soil Moisture Active Passive (SMAP) can offer a solution for wide coverage. However, existing global soil moisture products only provide observations at coarse spatial resolutions, which often limit their applications in regional agricultural and hydrological studies. This paper therefore aims to generate fine scale soil moisture information and extend soil moisture spatial availability. A statistical downscaling scheme is presented that incorporates multiple fine scale geoinformation data into the downscaling of coarse scale SMAP data in the absence of ground measurement data. Geoinformation data related to soil moisture patterns including digital elevation model (DEM), land surface temperature (LST), land use and normalized difference vegetation index (NDVI) at a fine scale are used as auxiliary environmental variables for downscaling SMAP data. Generalized additive model (GAM) and regression tree are first conducted to derive statistical relationships between SMAP data and auxiliary geoinformation data at an original coarse scale, and residuals are then downscaled to a finer scale via area-to-point kriging (ATPK) by accounting for the spatial correlation information of the input residuals. The results from standard validation scores as well as the triple collocation (TC) method against soil moisture in-situ measurements show that the downscaling method can significantly improve the spatial details of SMAP soil moisture while maintain the accuracy.

POLARIS: A 30-meter probabilistic soil series map of the contiguous United States

USGS Publications Warehouse

Chaney, Nathaniel W; Wood, Eric F; McBratney, Alexander B; Hempel, Jonathan W; Nauman, Travis; Brungard, Colby W.; Odgers, Nathan P

2016-01-01

A new complete map of soil series probabilities has been produced for the contiguous United States at a 30 m spatial resolution. This innovative database, named POLARIS, is constructed using available high-resolution geospatial environmental data and a state-of-the-art machine learning algorithm (DSMART-HPC) to remap the Soil Survey Geographic (SSURGO) database. This 9 billion grid cell database is possible using available high performance computing resources. POLARIS provides a spatially continuous, internally consistent, quantitative prediction of soil series. It offers potential solutions to the primary weaknesses in SSURGO: 1) unmapped areas are gap-filled using survey data from the surrounding regions, 2) the artificial discontinuities at political boundaries are removed, and 3) the use of high resolution environmental covariate data leads to a spatial disaggregation of the coarse polygons. The geospatial environmental covariates that have the largest role in assembling POLARIS over the contiguous United States (CONUS) are fine-scale (30 m) elevation data and coarse-scale (~ 2 km) estimates of the geographic distribution of uranium, thorium, and potassium. A preliminary validation of POLARIS using the NRCS National Soil Information System (NASIS) database shows variable performance over CONUS. In general, the best performance is obtained at grid cells where DSMART-HPC is most able to reduce the chance of misclassification. The important role of environmental covariates in limiting prediction uncertainty suggests including additional covariates is pivotal to improving POLARIS' accuracy. This database has the potential to improve the modeling of biogeochemical, water, and energy cycles in environmental models; enhance availability of data for precision agriculture; and assist hydrologic monitoring and forecasting to ensure food and water security.

Segmented Domain Decomposition Multigrid For 3-D Turbomachinery Flows

NASA Technical Reports Server (NTRS)

Celestina, M. L.; Adamczyk, J. J.; Rubin, S. G.

2001-01-01

A Segmented Domain Decomposition Multigrid (SDDMG) procedure was developed for three-dimensional viscous flow problems as they apply to turbomachinery flows. The procedure divides the computational domain into a coarse mesh comprised of uniformly spaced cells. To resolve smaller length scales such as the viscous layer near a surface, segments of the coarse mesh are subdivided into a finer mesh. This is repeated until adequate resolution of the smallest relevant length scale is obtained. Multigrid is used to communicate information between the different grid levels. To test the procedure, simulation results will be presented for a compressor and turbine cascade. These simulations are intended to show the ability of the present method to generate grid independent solutions. Comparisons with data will also be presented. These comparisons will further demonstrate the usefulness of the present work for they allow an estimate of the accuracy of the flow modeling equations independent of error attributed to numerical discretization.

Toward daily monitoring of vegetation conditions at field scale through fusing data from multiple sensors

USDA-ARS?s Scientific Manuscript database

Vegetation monitoring requires remote sensing data at fine spatial and temporal resolution. While imagery from coarse resolution sensors such as MODIS/VIIRS can provide daily observations, they lack spatial detail to capture surface features for crop and rangeland monitoring. The Landsat satellite s...

Improving crop condition monitoring at field scale by using optimal Landsat and MODIS images

USDA-ARS?s Scientific Manuscript database

Satellite remote sensing data at coarse resolution (kilometers) have been widely used in monitoring crop condition for decades. However, crop condition monitoring at field scale requires high resolution data in both time and space. Although a large number of remote sensing instruments with different...

Daily monitoring of vegetation conditions and evapotranspiration at field scale by fusing multi-satellite images

USDA-ARS?s Scientific Manuscript database

Vegetation monitoring requires frequent remote sensing observations. While imagery from coarse resolution sensors such as MODIS/VIIRS can provide daily observations, they lack spatial detail to capture surface features for vegetation monitoring. The medium spatial resolution (10-100m) sensors are su...

Calibration and validation of coarse-grained models of atomic systems: application to semiconductor manufacturing

NASA Astrophysics Data System (ADS)

Farrell, Kathryn; Oden, J. Tinsley

2014-07-01

Coarse-grained models of atomic systems, created by aggregating groups of atoms into molecules to reduce the number of degrees of freedom, have been used for decades in important scientific and technological applications. In recent years, interest in developing a more rigorous theory for coarse graining and in assessing the predictivity of coarse-grained models has arisen. In this work, Bayesian methods for the calibration and validation of coarse-grained models of atomistic systems in thermodynamic equilibrium are developed. For specificity, only configurational models of systems in canonical ensembles are considered. Among major challenges in validating coarse-grained models are (1) the development of validation processes that lead to information essential in establishing confidence in the model's ability predict key quantities of interest and (2), above all, the determination of the coarse-grained model itself; that is, the characterization of the molecular architecture, the choice of interaction potentials and thus parameters, which best fit available data. The all-atom model is treated as the "ground truth," and it provides the basis with respect to which properties of the coarse-grained model are compared. This base all-atom model is characterized by an appropriate statistical mechanics framework in this work by canonical ensembles involving only configurational energies. The all-atom model thus supplies data for Bayesian calibration and validation methods for the molecular model. To address the first challenge, we develop priors based on the maximum entropy principle and likelihood functions based on Gaussian approximations of the uncertainties in the parameter-to-observation error. To address challenge (2), we introduce the notion of model plausibilities as a means for model selection. This methodology provides a powerful approach toward constructing coarse-grained models which are most plausible for given all-atom data. We demonstrate the theory and methods through applications to representative atomic structures and we discuss extensions to the validation process for molecular models of polymer structures encountered in certain semiconductor nanomanufacturing processes. The powerful method of model plausibility as a means for selecting interaction potentials for coarse-grained models is discussed in connection with a coarse-grained hexane molecule. Discussions of how all-atom information is used to construct priors are contained in an appendix.

Predicting mesh density for adaptive modelling of the global atmosphere.

PubMed

Weller, Hilary

2009-11-28

The shallow water equations are solved using a mesh of polygons on the sphere, which adapts infrequently to the predicted future solution. Infrequent mesh adaptation reduces the cost of adaptation and load-balancing and will thus allow for more accurate mapping on adaptation. We simulate the growth of a barotropically unstable jet adapting the mesh every 12 h. Using an adaptation criterion based largely on the gradient of the vorticity leads to a mesh with around 20 per cent of the cells of a uniform mesh that gives equivalent results. This is a similar proportion to previous studies of the same test case with mesh adaptation every 1-20 min. The prediction of the mesh density involves solving the shallow water equations on a coarse mesh in advance of the locally refined mesh in order to estimate where features requiring higher resolution will grow, decay or move to. The adaptation criterion consists of two parts: that resolved on the coarse mesh, and that which is not resolved and so is passively advected on the coarse mesh. This combination leads to a balance between resolving features controlled by the large-scale dynamics and maintaining fine-scale features.

A Study on the Effects of Spatial Scale on Snow Process in Hyper-Resolution Hydrological Modelling over Mountainous Areas

NASA Astrophysics Data System (ADS)

Garousi Nejad, I.; He, S.; Tang, Q.; Ogden, F. L.; Steinke, R. C.; Frazier, N.; Tarboton, D. G.; Ohara, N.; Lin, H.

2017-12-01

Spatial scale is one of the main considerations in hydrological modeling of snowmelt in mountainous areas. The size of model elements controls the degree to which variability can be explicitly represented versus what needs to be parameterized using effective properties such as averages or other subgrid variability parameterizations that may degrade the quality of model simulations. For snowmelt modeling terrain parameters such as slope, aspect, vegetation and elevation play an important role in the timing and quantity of snowmelt that serves as an input to hydrologic runoff generation processes. In general, higher resolution enhances the accuracy of the simulation since fine meshes represent and preserve the spatial variability of atmospheric and surface characteristics better than coarse resolution. However, this increases computational cost and there may be a scale beyond which the model response does not improve due to diminishing sensitivity to variability and irreducible uncertainty associated with the spatial interpolation of inputs. This paper examines the influence of spatial resolution on the snowmelt process using simulations of and data from the Animas River watershed, an alpine mountainous area in Colorado, USA, using an unstructured distributed physically based hydrological model developed for a parallel computing environment, ADHydro. Five spatial resolutions (30 m, 100 m, 250 m, 500 m, and 1 km) were used to investigate the variations in hydrologic response. This study demonstrated the importance of choosing the appropriate spatial scale in the implementation of ADHydro to obtain a balance between representing spatial variability and the computational cost. According to the results, variation in the input variables and parameters due to using different spatial resolution resulted in changes in the obtained hydrological variables, especially snowmelt, both at the basin-scale and distributed across the model mesh.

Statistical Downscaling of WRF-Chem Model: An Air Quality Analysis over Bogota, Colombia

NASA Astrophysics Data System (ADS)

Kumar, Anikender; Rojas, Nestor

2015-04-01

Statistical downscaling is a technique that is used to extract high-resolution information from regional scale variables produced by coarse resolution models such as Chemical Transport Models (CTMs). The fully coupled WRF-Chem (Weather Research and Forecasting with Chemistry) model is used to simulate air quality over Bogota. Bogota is a tropical Andean megacity located over a high-altitude plateau in the middle of very complex terrain. The WRF-Chem model was adopted for simulating the hourly ozone concentrations. The computational domains were chosen of 120x120x32, 121x121x32 and 121x121x32 grid points with horizontal resolutions of 27, 9 and 3 km respectively. The model was initialized with real boundary conditions using NCAR-NCEP's Final Analysis (FNL) and a 1ox1o (~111 km x 111 km) resolution. Boundary conditions were updated every 6 hours using reanalysis data. The emission rates were obtained from global inventories, namely the REanalysis of the TROpospheric (RETRO) chemical composition and the Emission Database for Global Atmospheric Research (EDGAR). Multiple linear regression and artificial neural network techniques are used to downscale the model output at each monitoring stations. The results confirm that the statistically downscaled outputs reduce simulated errors by up to 25%. This study provides a general overview of statistical downscaling of chemical transport models and can constitute a reference for future air quality modeling exercises over Bogota and other Colombian cities.

High resolution simulations of aerosol microphysics in a global and regionally nested chemical transport model

NASA Astrophysics Data System (ADS)

Adams, P. J.; Marks, M.

2015-12-01

The aerosol indirect effect is the largest source of forcing uncertainty in current climate models. This effect arises from the influence of aerosols on the reflective properties and lifetimes of clouds, and its magnitude depends on how many particles can serve as cloud droplet formation sites. Assessing levels of this subset of particles (cloud condensation nuclei, or CCN) requires knowledge of aerosol levels and their global distribution, size distributions, and composition. A key tool necessary to advance our understanding of CCN is the use of global aerosol microphysical models, which simulate the processes that control aerosol size distributions: nucleation, condensation/evaporation, and coagulation. Previous studies have found important differences in CO (Chen, D. et al., 2009) and ozone (Jang, J., 1995) modeled at different spatial resolutions, and it is reasonable to believe that short-lived, spatially-variable aerosol species will be similarly - or more - susceptible to model resolution effects. The goal of this study is to determine how CCN levels and spatial distributions change as simulations are run at higher spatial resolution - specifically, to evaluate how sensitive the model is to grid size, and how this affects comparisons against observations. Higher resolution simulations are necessary supports for model/measurement synergy. Simulations were performed using the global chemical transport model GEOS-Chem (v9-02). The years 2008 and 2009 were simulated at 4ox5o and 2ox2.5o globally and at 0.5ox0.667o over Europe and North America. Results were evaluated against surface-based particle size distribution measurements from the European Supersites for Atmospheric Aerosol Research project. The fine-resolution model simulates more spatial and temporal variability in ultrafine levels, and better resolves topography. Results suggest that the coarse model predicts systematically lower ultrafine levels than does the fine-resolution model. Significant differences are also evident with respect to model-measurement comparisons, and will be discussed.

Effect of elevation resolution on evapotranspiration simulations using MODFLOW.

PubMed

Kambhammettu, B V N P; Schmid, Wolfgang; King, James P; Creel, Bobby J

2012-01-01

Surface elevations represented in MODFLOW head-dependent packages are usually derived from digital elevation models (DEMs) that are available at much high resolution. Conventional grid refinement techniques to simulate the model at DEM resolution increases computational time, input file size, and in many cases are not feasible for regional applications. This research aims at utilizing the increasingly available high resolution DEMs for effective simulation of evapotranspiration (ET) in MODFLOW as an alternative to grid refinement techniques. The source code of the evapotranspiration package is modified by considering for a fixed MODFLOW grid resolution and for different DEM resolutions, the effect of variability in elevation data on ET estimates. Piezometric head at each DEM cell location is corrected by considering the gradient along row and column directions. Applicability of the research is tested for the lower Rio Grande (LRG) Basin in southern New Mexico. The DEM at 10 m resolution is aggregated to resampled DEM grid resolutions which are integer multiples of MODFLOW grid resolution. Cumulative outflows and ET rates are compared at different coarse resolution grids. Results of the analysis conclude that variability in depth-to-groundwater within the MODFLOW cell is a major contributing parameter to ET outflows in shallow groundwater regions. DEM aggregation methods for the LRG Basin have resulted in decreased volumetric outflow due to the formation of a smoothing error, which lowered the position of water table to a level below the extinction depth. © 2011, The Author(s). Ground Water © 2011, National Ground Water Association.

Extended-Range High-Resolution Dynamical Downscaling over a Continental-Scale Domain

NASA Astrophysics Data System (ADS)

Husain, S. Z.; Separovic, L.; Yu, W.; Fernig, D.

2014-12-01

High-resolution mesoscale simulations, when applied for downscaling meteorological fields over large spatial domains and for extended time periods, can provide valuable information for many practical application scenarios including the weather-dependent renewable energy industry. In the present study, a strategy has been proposed to dynamically downscale coarse-resolution meteorological fields from Environment Canada's regional analyses for a period of multiple years over the entire Canadian territory. The study demonstrates that a continuous mesoscale simulation over the entire domain is the most suitable approach in this regard. Large-scale deviations in the different meteorological fields pose the biggest challenge for extended-range simulations over continental scale domains, and the enforcement of the lateral boundary conditions is not sufficient to restrict such deviations. A scheme has therefore been developed to spectrally nudge the simulated high-resolution meteorological fields at the different model vertical levels towards those embedded in the coarse-resolution driving fields derived from the regional analyses. A series of experiments were carried out to determine the optimal nudging strategy including the appropriate nudging length scales, nudging vertical profile and temporal relaxation. A forcing strategy based on grid nudging of the different surface fields, including surface temperature, soil-moisture, and snow conditions, towards their expected values obtained from a high-resolution offline surface scheme was also devised to limit any considerable deviation in the evolving surface fields due to extended-range temporal integrations. The study shows that ensuring large-scale atmospheric similarities helps to deliver near-surface statistical scores for temperature, dew point temperature and horizontal wind speed that are better or comparable to the operational regional forecasts issued by Environment Canada. Furthermore, the meteorological fields resulting from the proposed downscaling strategy have significantly improved spatiotemporal variance compared to those from the operational forecasts, and any time series generated from the downscaled fields do not suffer from discontinuities due to switching between the consecutive forecasts.

A sequence-dependent rigid-base model of DNA

NASA Astrophysics Data System (ADS)

Gonzalez, O.; Petkevičiutė, D.; Maddocks, J. H.

2013-02-01

A novel hierarchy of coarse-grain, sequence-dependent, rigid-base models of B-form DNA in solution is introduced. The hierarchy depends on both the assumed range of energetic couplings, and the extent of sequence dependence of the model parameters. A significant feature of the models is that they exhibit the phenomenon of frustration: each base cannot simultaneously minimize the energy of all of its interactions. As a consequence, an arbitrary DNA oligomer has an intrinsic or pre-existing stress, with the level of this frustration dependent on the particular sequence of the oligomer. Attention is focussed on the particular model in the hierarchy that has nearest-neighbor interactions and dimer sequence dependence of the model parameters. For a Gaussian version of this model, a complete coarse-grain parameter set is estimated. The parameterized model allows, for an oligomer of arbitrary length and sequence, a simple and explicit construction of an approximation to the configuration-space equilibrium probability density function for the oligomer in solution. The training set leading to the coarse-grain parameter set is itself extracted from a recent and extensive database of a large number of independent, atomic-resolution molecular dynamics (MD) simulations of short DNA oligomers immersed in explicit solvent. The Kullback-Leibler divergence between probability density functions is used to make several quantitative assessments of our nearest-neighbor, dimer-dependent model, which is compared against others in the hierarchy to assess various assumptions pertaining both to the locality of the energetic couplings and to the level of sequence dependence of its parameters. It is also compared directly against all-atom MD simulation to assess its predictive capabilities. The results show that the nearest-neighbor, dimer-dependent model can successfully resolve sequence effects both within and between oligomers. For example, due to the presence of frustration, the model can successfully predict the nonlocal changes in the minimum energy configuration of an oligomer that are consequent upon a local change of sequence at the level of a single point mutation.

A sequence-dependent rigid-base model of DNA.

PubMed

Gonzalez, O; Petkevičiūtė, D; Maddocks, J H

2013-02-07

A novel hierarchy of coarse-grain, sequence-dependent, rigid-base models of B-form DNA in solution is introduced. The hierarchy depends on both the assumed range of energetic couplings, and the extent of sequence dependence of the model parameters. A significant feature of the models is that they exhibit the phenomenon of frustration: each base cannot simultaneously minimize the energy of all of its interactions. As a consequence, an arbitrary DNA oligomer has an intrinsic or pre-existing stress, with the level of this frustration dependent on the particular sequence of the oligomer. Attention is focussed on the particular model in the hierarchy that has nearest-neighbor interactions and dimer sequence dependence of the model parameters. For a Gaussian version of this model, a complete coarse-grain parameter set is estimated. The parameterized model allows, for an oligomer of arbitrary length and sequence, a simple and explicit construction of an approximation to the configuration-space equilibrium probability density function for the oligomer in solution. The training set leading to the coarse-grain parameter set is itself extracted from a recent and extensive database of a large number of independent, atomic-resolution molecular dynamics (MD) simulations of short DNA oligomers immersed in explicit solvent. The Kullback-Leibler divergence between probability density functions is used to make several quantitative assessments of our nearest-neighbor, dimer-dependent model, which is compared against others in the hierarchy to assess various assumptions pertaining both to the locality of the energetic couplings and to the level of sequence dependence of its parameters. It is also compared directly against all-atom MD simulation to assess its predictive capabilities. The results show that the nearest-neighbor, dimer-dependent model can successfully resolve sequence effects both within and between oligomers. For example, due to the presence of frustration, the model can successfully predict the nonlocal changes in the minimum energy configuration of an oligomer that are consequent upon a local change of sequence at the level of a single point mutation.

Conservative and dissipative force field for simulation of coarse-grained alkane molecules: A bottom-up approach

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

Trément, Sébastien; Rousseau, Bernard, E-mail: bernard.rousseau@u-psud.fr; Schnell, Benoît

2014-04-07

We apply operational procedures available in the literature to the construction of coarse-grained conservative and friction forces for use in dissipative particle dynamics (DPD) simulations. The full procedure rely on a bottom-up approach: large molecular dynamics trajectories of n-pentane and n-decane modeled with an anisotropic united atom model serve as input for the force field generation. As a consequence, the coarse-grained model is expected to reproduce at least semi-quantitatively structural and dynamical properties of the underlying atomistic model. Two different coarse-graining levels are studied, corresponding to five and ten carbon atoms per DPD bead. The influence of the coarse-graining levelmore » on the generated force fields contributions, namely, the conservative and the friction part, is discussed. It is shown that the coarse-grained model of n-pentane correctly reproduces self-diffusion and viscosity coefficients of real n-pentane, while the fully coarse-grained model for n-decane at ambient temperature over-predicts diffusion by a factor of 2. However, when the n-pentane coarse-grained model is used as a building block for larger molecule (e.g., n-decane as a two blobs model), a much better agreement with experimental data is obtained, suggesting that the force field constructed is transferable to large macro-molecular systems.« less

Detecting population-environmental interactions with mismatched time series data.

PubMed

Ferguson, Jake M; Reichert, Brian E; Fletcher, Robert J; Jager, Henriëtte I

2017-11-01

Time series analysis is an essential method for decomposing the influences of density and exogenous factors such as weather and climate on population regulation. However, there has been little work focused on understanding how well commonly collected data can reconstruct the effects of environmental factors on population dynamics. We show that, analogous to similar scale issues in spatial data analysis, coarsely sampled temporal data can fail to detect covariate effects when interactions occur on timescales that are fast relative to the survey period. We propose a method for modeling mismatched time series data that couples high-resolution environmental data to low-resolution abundance data. We illustrate our approach with simulations and by applying it to Florida's southern Snail kite population. Our simulation results show that our method can reliably detect linear environmental effects and that detecting nonlinear effects requires high-resolution covariate data even when the population turnover rate is slow. In the Snail kite analysis, our approach performed among the best in a suite of previously used environmental covariates explaining Snail kite dynamics and was able to detect a potential phenological shift in the environmental dependence of Snail kites. Our work provides a statistical framework for reliably detecting population-environment interactions from coarsely surveyed time series. An important implication of this work is that the low predictability of animal population growth by weather variables found in previous studies may be due, in part, to how these data are utilized as covariates. © 2017 by the Ecological Society of America.

Detecting population–environmental interactions with mismatched time series data

PubMed Central

Ferguson, Jake M.; Reichert, Brian E.; Fletcher, Robert J.; Jager, Henriëtte I.

2017-01-01

Time series analysis is an essential method for decomposing the influences of density and exogenous factors such as weather and climate on population regulation. However, there has been little work focused on understanding how well commonly collected data can reconstruct the effects of environmental factors on population dynamics. We show that, analogous to similar scale issues in spatial data analysis, coarsely sampled temporal data can fail to detect covariate effects when interactions occur on timescales that are fast relative to the survey period. We propose a method for modeling mismatched time series data that couples high-resolution environmental data to low-resolution abundance data. We illustrate our approach with simulations and by applying it to Florida’s southern Snail kite population. Our simulation results show that our method can reliably detect linear environmental effects and that detecting nonlinear effects requires high-resolution covariate data even when the population turnover rate is slow. In the Snail kite analysis, our approach performed among the best in a suite of previously used environmental covariates explaining Snail kite dynamics and was able to detect a potential phenological shift in the environmental dependence of Snail kites. Our work provides a statistical framework for reliably detecting population–environment interactions from coarsely surveyed time series. An important implication of this work is that the low predictability of animal population growth by weather variables found in previous studies may be due, in part, to how these data are utilized as covariates. PMID:28759123

CABS-fold: Server for the de novo and consensus-based prediction of protein structure.

PubMed

Blaszczyk, Maciej; Jamroz, Michal; Kmiecik, Sebastian; Kolinski, Andrzej

2013-07-01

The CABS-fold web server provides tools for protein structure prediction from sequence only (de novo modeling) and also using alternative templates (consensus modeling). The web server is based on the CABS modeling procedures ranked in previous Critical Assessment of techniques for protein Structure Prediction competitions as one of the leading approaches for de novo and template-based modeling. Except for template data, fragmentary distance restraints can also be incorporated into the modeling process. The web server output is a coarse-grained trajectory of generated conformations, its Jmol representation and predicted models in all-atom resolution (together with accompanying analysis). CABS-fold can be freely accessed at http://biocomp.chem.uw.edu.pl/CABSfold.

CABS-fold: server for the de novo and consensus-based prediction of protein structure

PubMed Central

Blaszczyk, Maciej; Jamroz, Michal; Kmiecik, Sebastian; Kolinski, Andrzej

2013-01-01

The CABS-fold web server provides tools for protein structure prediction from sequence only (de novo modeling) and also using alternative templates (consensus modeling). The web server is based on the CABS modeling procedures ranked in previous Critical Assessment of techniques for protein Structure Prediction competitions as one of the leading approaches for de novo and template-based modeling. Except for template data, fragmentary distance restraints can also be incorporated into the modeling process. The web server output is a coarse-grained trajectory of generated conformations, its Jmol representation and predicted models in all-atom resolution (together with accompanying analysis). CABS-fold can be freely accessed at http://biocomp.chem.uw.edu.pl/CABSfold. PMID:23748950

Monitoring forest dynamics with multi-scale and time series imagery.

PubMed

Huang, Chunbo; Zhou, Zhixiang; Wang, Di; Dian, Yuanyong

2016-05-01

To learn the forest dynamics and evaluate the ecosystem services of forest effectively, a timely acquisition of spatial and quantitative information of forestland is very necessary. Here, a new method was proposed for mapping forest cover changes by combining multi-scale satellite remote-sensing imagery with time series data. Using time series Normalized Difference Vegetation Index products derived from the Moderate Resolution Imaging Spectroradiometer images (MODIS-NDVI) and Landsat Thematic Mapper/Enhanced Thematic Mapper Plus (TM/ETM+) images as data source, a hierarchy stepwise analysis from coarse scale to fine scale was developed for detecting the forest change area. At the coarse scale, MODIS-NDVI data with 1-km resolution were used to detect the changes in land cover types and a land cover change map was constructed using NDVI values at vegetation growing seasons. At the fine scale, based on the results at the coarse scale, Landsat TM/ETM+ data with 30-m resolution were used to precisely detect the forest change location and forest change trend by analyzing time series forest vegetation indices (IFZ). The method was tested using the data for Hubei Province, China. The MODIS-NDVI data from 2001 to 2012 were used to detect the land cover changes, and the overall accuracy was 94.02 % at the coarse scale. At the fine scale, the available TM/ETM+ images at vegetation growing seasons between 2001 and 2012 were used to locate and verify forest changes in the Three Gorges Reservoir Area, and the overall accuracy was 94.53 %. The accuracy of the two layer hierarchical monitoring results indicated that the multi-scale monitoring method is feasible and reliable.

Weather extremes in very large, high-resolution ensembles: the weatherathome experiment

NASA Astrophysics Data System (ADS)

Allen, M. R.; Rosier, S.; Massey, N.; Rye, C.; Bowery, A.; Miller, J.; Otto, F.; Jones, R.; Wilson, S.; Mote, P.; Stone, D. A.; Yamazaki, Y. H.; Carrington, D.

2011-12-01

Resolution and ensemble size are often seen as alternatives in climate modelling. Models with sufficient resolution to simulate many classes of extreme weather cannot normally be run often enough to assess the statistics of rare events, still less how these statistics may be changing. As a result, assessments of the impact of external forcing on regional climate extremes must be based either on statistical downscaling from relatively coarse-resolution models, or statistical extrapolation from 10-year to 100-year events. Under the weatherathome experiment, part of the climateprediction.net initiative, we have compiled the Met Office Regional Climate Model HadRM3P to run on personal computer volunteered by the general public at 25 and 50km resolution, embedded within the HadAM3P global atmosphere model. With a global network of about 50,000 volunteers, this allows us to run time-slice ensembles of essentially unlimited size, exploring the statistics of extreme weather under a range of scenarios for surface forcing and atmospheric composition, allowing for uncertainty in both boundary conditions and model parameters. Current experiments, developed with the support of Microsoft Research, focus on three regions, the Western USA, Europe and Southern Africa. We initially simulate the period 1959-2010 to establish which variables are realistically simulated by the model and on what scales. Our next experiments are focussing on the Event Attribution problem, exploring how the probability of various types of extreme weather would have been different over the recent past in a world unaffected by human influence, following the design of Pall et al (2011), but extended to a longer period and higher spatial resolution. We will present the first results of the unique, global, participatory experiment and discuss the implications for the attribution of recent weather events to anthropogenic influence on climate.

Modeling Future Fire danger over North America in a Changing Climate

NASA Astrophysics Data System (ADS)

Jain, P.; Paimazumder, D.; Done, J.; Flannigan, M.

2016-12-01

Fire danger ratings are used to determine wildfire potential due to weather and climate factors. The Fire Weather Index (FWI), part of the Canadian Forest Fire Danger Rating System (CFFDRS), incorporates temperature, relative humidity, windspeed and precipitation to give a daily fire danger rating that is used by wildfire management agencies in an operational context. Studies using GCM output have shown that future wildfire danger will increase in a warming climate. However, these studies are somewhat limited by the coarse spatial resolution (typically 100-400km) and temporal resolution (typically 6-hourly to monthly) of the model output. Future wildfire potential over North America based on FWI is calculated using output from the Weather, Research and Forecasting (WRF) model, which is used to downscale future climate scenarios from the bias-corrected Community Climate System Model (CCSM) under RCP8.5 scenarios at a spatial resolution of 36km. We consider five eleven year time slices: 1990-2000, 2020-2030, 2030-2040, 2050-2060 and 2080-2090. The dynamically downscaled simulation improves determination of future extreme weather by improving both spatial and temporal resolution over most GCM models. To characterize extreme fire weather we calculate annual numbers of spread days (days for which FWI > 19) and annual 99th percentile of FWI. Additionally, an extreme value analysis based on the peaks-over-threshold method allows us to calculate the return values for extreme FWI values.

Reconciling Structural and Thermodynamic Predictions Using All-Atom and Coarse-Grain Force Fields: The Case of Charged Oligo-Arginine Translocation into DMPC Bilayers

PubMed Central

2015-01-01

Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide–water and peptide–membrane interactions allow prediction of free energy minima at the bilayer–water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are −2.51, −4.28, and −5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are −0.83, −3.33, and −3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of configurations generated using the all-atom and coarse-grain force fields. Both resolutions show that oligo-arginine peptides adopt preferential orientations as they translocate into the bilayer. The guiding theme centers on charged groups maintaining coordination with polar and charged bilayer components as well as local water. We also observe similar behaviors related with membrane deformations. PMID:25290376

Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.

PubMed

Hu, Yuan; Sinha, Sudipta Kumar; Patel, Sandeep

2014-10-16

Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide-water and peptide-membrane interactions allow prediction of free energy minima at the bilayer-water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are -2.51, -4.28, and -5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are -0.83, -3.33, and -3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of configurations generated using the all-atom and coarse-grain force fields. Both resolutions show that oligo-arginine peptides adopt preferential orientations as they translocate into the bilayer. The guiding theme centers on charged groups maintaining coordination with polar and charged bilayer components as well as local water. We also observe similar behaviors related with membrane deformations.

Evaluation of MODFLOW-LGR in connection with a synthetic regional-scale model

USGS Publications Warehouse

Vilhelmsen, T.N.; Christensen, S.; Mehl, S.W.

2012-01-01

This work studies costs and benefits of utilizing local-grid refinement (LGR) as implemented in MODFLOW-LGR to simulate groundwater flow in a buried tunnel valley interacting with a regional aquifer. Two alternative LGR methods were used: the shared-node (SN) method and the ghost-node (GN) method. To conserve flows the SN method requires correction of sources and sinks in cells at the refined/coarse-grid interface. We found that the optimal correction method is case dependent and difficult to identify in practice. However, the results showed little difference and suggest that identifying the optimal method was of minor importance in our case. The GN method does not require corrections at the models' interface, and it uses a simpler head interpolation scheme than the SN method. The simpler scheme is faster but less accurate so that more iterations may be necessary. However, the GN method solved our flow problem more efficiently than the SN method. The MODFLOW-LGR results were compared with the results obtained using a globally coarse (GC) grid. The LGR simulations required one to two orders of magnitude longer run times than the GC model. However, the improvements of the numerical resolution around the buried valley substantially increased the accuracy of simulated heads and flows compared with the GC simulation. Accuracy further increased locally around the valley flanks when improving the geological resolution using the refined grid. Finally, comparing MODFLOW-LGR simulation with a globally refined (GR) grid showed that the refinement proportion of the model should not exceed 10% to 15% in order to secure method efficiency. ?? 2011, The Author(s). Ground Water ?? 2011, National Ground Water Association.

Moving towards Hyper-Resolution Hydrologic Modeling

NASA Astrophysics Data System (ADS)

Rouf, T.; Maggioni, V.; Houser, P.; Mei, Y.

2017-12-01

Developing a predictive capability for terrestrial hydrology across landscapes, with water, energy and nutrients as the drivers of these dynamic systems, faces the challenge of scaling meter-scale process understanding to practical modeling scales. Hyper-resolution land surface modeling can provide a framework for addressing science questions that we are not able to answer with coarse modeling scales. In this study, we develop a hyper-resolution forcing dataset from coarser resolution products using a physically based downscaling approach. These downscaling techniques rely on correlations with landscape variables, such as topography, roughness, and land cover. A proof-of-concept has been implemented over the Oklahoma domain, where high-resolution observations are available for validation purposes. Hourly NLDAS (North America Land Data Assimilation System) forcing data (i.e., near-surface air temperature, pressure, and humidity) have been downscaled to 500m resolution over the study area for 2015-present. Results show that correlation coefficients between the downscaled temperature dataset and ground observations are consistently higher than the ones between the NLDAS temperature data at their native resolution and ground observations. Not only correlation coefficients are higher, but also the deviation around the 1:1 line in the density scatterplots is smaller for the downscaled dataset than the original one with respect to the ground observations. Results are therefore encouraging as they demonstrate that the 500m temperature dataset has a good agreement with the ground information and can be adopted to force the land surface model for soil moisture estimation. The study has been expanded to wind speed and direction, incident longwave and shortwave radiation, pressure, and precipitation. Precipitation is well known to vary dramatically with elevation and orography. Therefore, we are pursuing a downscaling technique based on both topographical and vegetation characteristics.

Parameterizing deep convection using the assumed probability density function method

DOE PAGES

Storer, R. L.; Griffin, B. M.; Höft, J.; ...

2014-06-11

Due to their coarse horizontal resolution, present-day climate models must parameterize deep convection. This paper presents single-column simulations of deep convection using a probability density function (PDF) parameterization. The PDF parameterization predicts the PDF of subgrid variability of turbulence, clouds, and hydrometeors. That variability is interfaced to a prognostic microphysics scheme using a Monte Carlo sampling method. The PDF parameterization is used to simulate tropical deep convection, the transition from shallow to deep convection over land, and mid-latitude deep convection. These parameterized single-column simulations are compared with 3-D reference simulations. The agreement is satisfactory except when the convective forcing ismore » weak. The same PDF parameterization is also used to simulate shallow cumulus and stratocumulus layers. The PDF method is sufficiently general to adequately simulate these five deep, shallow, and stratiform cloud cases with a single equation set. This raises hopes that it may be possible in the future, with further refinements at coarse time step and grid spacing, to parameterize all cloud types in a large-scale model in a unified way.« less

Parameterizing deep convection using the assumed probability density function method

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

Storer, R. L.; Griffin, B. M.; Höft, J.

2015-01-06

Due to their coarse horizontal resolution, present-day climate models must parameterize deep convection. This paper presents single-column simulations of deep convection using a probability density function (PDF) parameterization. The PDF parameterization predicts the PDF of subgrid variability of turbulence, clouds, and hydrometeors. That variability is interfaced to a prognostic microphysics scheme using a Monte Carlo sampling method.The PDF parameterization is used to simulate tropical deep convection, the transition from shallow to deep convection over land, and midlatitude deep convection. These parameterized single-column simulations are compared with 3-D reference simulations. The agreement is satisfactory except when the convective forcing is weak.more » The same PDF parameterization is also used to simulate shallow cumulus and stratocumulus layers. The PDF method is sufficiently general to adequately simulate these five deep, shallow, and stratiform cloud cases with a single equation set. This raises hopes that it may be possible in the future, with further refinements at coarse time step and grid spacing, to parameterize all cloud types in a large-scale model in a unified way.« less

Parameterizing deep convection using the assumed probability density function method

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

Storer, R. L.; Griffin, B. M.; Hoft, Jan

2015-01-06

Due to their coarse horizontal resolution, present-day climate models must parameterize deep convection. This paper presents single-column simulations of deep convection using a probability density function (PDF) parameterization. The PDF parameterization predicts the PDF of subgrid variability of turbulence, clouds, and hydrometeors. That variability is interfaced to a prognostic microphysics scheme using a Monte Carlo sampling method.The PDF parameterization is used to simulate tropical deep convection, the transition from shallow to deep convection over land, and mid-latitude deep convection.These parameterized single-column simulations are compared with 3-D reference simulations. The agreement is satisfactory except when the convective forcing is weak. Themore » same PDF parameterization is also used to simulate shallow cumulus and stratocumulus layers. The PDF method is sufficiently general to adequately simulate these five deep, shallow, and stratiform cloud cases with a single equation set. This raises hopes that it may be possible in the future, with further refinements at coarse time step and grid spacing, to parameterize all cloud types in a large-scale model in a unified way.« less

Impacts of precipitation and potential evapotranspiration patterns on downscaling soil moisture in regions with large topographic relief

USDA-ARS?s Scientific Manuscript database

Mapping of soil moisture is important for many applications such as flood forecasting, soil protection, and crop management. Soil moisture can be estimated at coarse resolutions (>1 km) using satellite remote sensing, but that resolution is poorly suited for many applications. The Equilibrium Mois...

Towards a High-Resolution Global Inundation Delineation Dataset

NASA Astrophysics Data System (ADS)

Fluet-Chouinard, E.; Lehner, B.

2011-12-01

Although their importance for biodiversity, flow regulation and ecosystem service provision is widely recognized, wetlands and temporarily inundated landscapes remain poorly mapped globally because of their inherent elusive nature. Inventorying of wetland resources has been identified in international agreements as an essential component of appropriate conservation efforts and management initiatives of these threatened ecosystems. However, despite recent advances in remote sensing surface water monitoring, current inventories of surface water variations remain incomplete at the regional-to-global scale due to methodological limitations restricting truly global application. Remote sensing wetland applications such as SAR L-band are particularly constrained by image availability and heterogeneity of acquisition dates, while coarse resolution passive microwave and multi-sensor methods cannot discriminate distinct surface water bodies. As a result, the most popular global wetland dataset remains to this day the Global Lake & Wetland Database (Lehner and Doll, 2004) a spatially inconsistent database assembled from various existing data sources. The approach taken in this project circumvents the limitations of current global wetland monitoring methods by combining globally available topographic and hydrographic data to downscale coarse resolution global inundation data (Prigent et al., 2007) and thus create a superior inundation delineation map product. The developed procedure downscales inundation data from the coarse resolution (~27km) of current passive microwave sensors to the finer spatial resolution (~500m) of the topographic and hydrographic layers of HydroSHEDS' data suite (Lehner et al., 2006), while retaining the high temporal resolution of the multi-sensor inundation dataset. From the downscaling process emerges new information on the specific location of inundation, but also on its frequency and duration. The downscaling algorithm employs a decision tree classifier trained on regional remote sensing wetland maps, to derive inundation probability followed by a seeded region growing segmentation process to redistribute the inundated area at the finer resolution. Assessment of the algorithm's performance is accomplished by evaluating the level of agreement between its outputted downscaled inundation maps and existing regional remote sensing inundation delineation. Upon completion, this project's will offer a dynamic globally seamless inundation map at an unprecedented spatial and temporal scale, which will provide the baseline inventory long requested by the research community, and will open the door to a wide array of possible conservation and hydrological modeling applications which were until now data-restricted. Literature Lehner, B., K. Verdin, and A. Jarvis. 2008. New global hydrography derived from spaceborne elevation data. Eos 89, no. 10. Lehner, B, and P Doll. 2004. Development and validation of a global database of lakes, reservoirs and wetlands. Journal of Hydrology 296, no. 1-4: 1-22. Prigent, C., F. Papa, F. Aires, W. B. Rossow, and E. Matthews. 2007. Global inundation dynamics inferred from multiple satellite observations, 1993-2000. Journal of Geophysical Research 112, no. D12: 1-13.

Evaluating hourly rainfall characteristics over the U.S. Great Plains in dynamically downscaled climate model simulations using NASA-Unified WRF

NASA Astrophysics Data System (ADS)

Lee, Huikyo; Waliser, Duane E.; Ferraro, Robert; Iguchi, Takamichi; Peters-Lidard, Christa D.; Tian, Baijun; Loikith, Paul C.; Wright, Daniel B.

2017-07-01

Accurate simulation of extreme precipitation events remains a challenge in climate models. This study utilizes hourly precipitation data from ground stations and satellite instruments to evaluate rainfall characteristics simulated by the NASA-Unified Weather Research and Forecasting (NU-WRF) regional climate model at horizontal resolutions of 4, 12, and 24 km over the Great Plains of the United States. We also examined the sensitivity of the simulated precipitation to different spectral nudging approaches and the cumulus parameterizations. The rainfall characteristics in the observations and simulations were defined as an hourly diurnal cycle of precipitation and a joint probability distribution function (JPDF) between duration and peak intensity of precipitation events over the Great Plains in summer. We calculated a JPDF for each data set and the overlapping area between observed and simulated JPDFs to measure the similarity between the two JPDFs. Comparison of the diurnal precipitation cycles between observations and simulations does not reveal the added value of high-resolution simulations. However, the performance of NU-WRF simulations measured by the JPDF metric strongly depends on horizontal resolution. The simulation with the highest resolution of 4 km shows the best agreement with the observations in simulating duration and intensity of wet spells. Spectral nudging does not affect the JPDF significantly. The effect of cumulus parameterizations on the JPDFs is considerable but smaller than that of horizontal resolution. The simulations with lower resolutions of 12 and 24 km show reasonable agreement but only with the high-resolution observational data that are aggregated into coarse resolution and spatially averaged.

Sub-grid drag models for horizontal cylinder arrays immersed in gas-particle multiphase flows

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

Sarkar, Avik; Sun, Xin; Sundaresan, Sankaran

2013-09-08

Immersed cylindrical tube arrays often are used as heat exchangers in gas-particle fluidized beds. In multiphase computational fluid dynamics (CFD) simulations of large fluidized beds, explicit resolution of small cylinders is computationally infeasible. Instead, the cylinder array may be viewed as an effective porous medium in coarse-grid simulations. The cylinders' influence on the suspension as a whole, manifested as an effective drag force, and on the relative motion between gas and particles, manifested as a correction to the gas-particle drag, must be modeled via suitable sub-grid constitutive relationships. In this work, highly resolved unit-cell simulations of flow around an arraymore » of horizontal cylinders, arranged in a staggered configuration, are filtered to construct sub-grid, or `filtered', drag models, which can be implemented in coarse-grid simulations. The force on the suspension exerted by the cylinders is comprised of, as expected, a buoyancy contribution, and a kinetic component analogous to fluid drag on a single cylinder. Furthermore, the introduction of tubes also is found to enhance segregation at the scale of the cylinder size, which, in turn, leads to a reduction in the filtered gas-particle drag.« less

A generalized formulation for downscaling data based on Fourier Transform and inversion: Mathematical rationale and application to the Max-Planck-Institute aerosol climatology data

NASA Astrophysics Data System (ADS)

Zhang, Taiping; Stackhouse, Paul W.; Gupta, Shashi K.; Cox, Stephen J.; Mikovitz, J. Colleen

2017-02-01

Occasionally, a need arises to downscale a time series of data from a coarse temporal resolution to a finer one, a typical example being from monthly means to daily means. For this case, daily means derived as such are used as inputs of climatic or atmospheric models so that the model results may exhibit variance on the daily time scale and retain the monthly mean of the original data set without an abrupt change from the end of one month to the beginning of the next. Different methods have been developed which often need assumptions, free parameters and the solution of simultaneous equations. Here we derive a generalized formulation by means of Fourier transform and inversion so that it can be used to directly compute daily means from a series of an arbitrary number of monthly means. The formulation can be used to transform any coarse temporal resolution to a finer one. From the derived results, the original data can be recovered almost identically. As a real application, we use this method to derive the daily counterpart of the MAC-v1 aerosol climatology that provides monthly mean aerosol properties for 18 shortwave bands and 12 longwave bands for the years from 1860 to 2100. The derived daily means are to be used as inputs of the shortwave and longwave algorithms of the NASA GEWEX SRB project.

Using Bayes' theorem for free energy calculations

NASA Astrophysics Data System (ADS)

Rogers, David M.

Statistical mechanics is fundamentally based on calculating the probabilities of molecular-scale events. Although Bayes' theorem has generally been recognized as providing key guiding principals for setup and analysis of statistical experiments [83], classical frequentist models still predominate in the world of computational experimentation. As a starting point for widespread application of Bayesian methods in statistical mechanics, we investigate the central quantity of free energies from this perspective. This dissertation thus reviews the basics of Bayes' view of probability theory, and the maximum entropy formulation of statistical mechanics before providing examples of its application to several advanced research areas. We first apply Bayes' theorem to a multinomial counting problem in order to determine inner shell and hard sphere solvation free energy components of Quasi-Chemical Theory [140]. We proceed to consider the general problem of free energy calculations from samples of interaction energy distributions. From there, we turn to spline-based estimation of the potential of mean force [142], and empirical modeling of observed dynamics using integrator matching. The results of this research are expected to advance the state of the art in coarse-graining methods, as they allow a systematic connection from high-resolution (atomic) to low-resolution (coarse) structure and dynamics. In total, our work on these problems constitutes a critical starting point for further application of Bayes' theorem in all areas of statistical mechanics. It is hoped that the understanding so gained will allow for improvements in comparisons between theory and experiment.

Downscaling Thermal Infrared Radiance for Subpixel Land Surface Temperature Retrieval

PubMed Central

Liu, Desheng; Pu, Ruiliang

2008-01-01

Land surface temperature (LST) retrieved from satellite thermal sensors often consists of mixed temperature components. Retrieving subpixel LST is therefore needed in various environmental and ecological studies. In this paper, we developed two methods for downscaling coarse resolution thermal infrared (TIR) radiance for the purpose of subpixel temperature retrieval. The first method was developed on the basis of a scale-invariant physical model on TIR radiance. The second method was based on a statistical relationship between TIR radiance and land cover fraction at high spatial resolution. The two methods were applied to downscale simulated 990-m ASTER TIR data to 90-m resolution. When validated against the original 90-m ASTER TIR data, the results revealed that both downscaling methods were successful in capturing the general patterns of the original data and resolving considerable spatial details. Further quantitative assessments indicated a strong agreement between the true values and the estimated values by both methods. PMID:27879844

Downscaling Thermal Infrared Radiance for Subpixel Land Surface Temperature Retrieval.

PubMed

Liu, Desheng; Pu, Ruiliang

2008-04-06

Land surface temperature (LST) retrieved from satellite thermal sensors often consists of mixed temperature components. Retrieving subpixel LST is therefore needed in various environmental and ecological studies. In this paper, we developed two methods for downscaling coarse resolution thermal infrared (TIR) radiance for the purpose of subpixel temperature retrieval. The first method was developed on the basis of a scale-invariant physical model on TIR radiance. The second method was based on a statistical relationship between TIR radiance and land cover fraction at high spatial resolution. The two methods were applied to downscale simulated 990-m ASTER TIR data to 90-m resolution. When validated against the original 90-m ASTER TIR data, the results revealed that both downscaling methods were successful in capturing the general patterns of the original data and resolving considerable spatial details. Further quantitative assessments indicated a strong agreement between the true values and the estimated values by both methods.

Predictive coarse-graining

NASA Astrophysics Data System (ADS)

Schöberl, Markus; Zabaras, Nicholas; Koutsourelakis, Phaedon-Stelios

2017-03-01

We propose a data-driven, coarse-graining formulation in the context of equilibrium statistical mechanics. In contrast to existing techniques which are based on a fine-to-coarse map, we adopt the opposite strategy by prescribing a probabilistic coarse-to-fine map. This corresponds to a directed probabilistic model where the coarse variables play the role of latent generators of the fine scale (all-atom) data. From an information-theoretic perspective, the framework proposed provides an improvement upon the relative entropy method [1] and is capable of quantifying the uncertainty due to the information loss that unavoidably takes place during the coarse-graining process. Furthermore, it can be readily extended to a fully Bayesian model where various sources of uncertainties are reflected in the posterior of the model parameters. The latter can be used to produce not only point estimates of fine-scale reconstructions or macroscopic observables, but more importantly, predictive posterior distributions on these quantities. Predictive posterior distributions reflect the confidence of the model as a function of the amount of data and the level of coarse-graining. The issues of model complexity and model selection are seamlessly addressed by employing a hierarchical prior that favors the discovery of sparse solutions, revealing the most prominent features in the coarse-grained model. A flexible and parallelizable Monte Carlo - Expectation-Maximization (MC-EM) scheme is proposed for carrying out inference and learning tasks. A comparative assessment of the proposed methodology is presented for a lattice spin system and the SPC/E water model.

Predictive coarse-graining

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

Schöberl, Markus, E-mail: m.schoeberl@tum.de; Zabaras, Nicholas; Department of Aerospace and Mechanical Engineering, University of Notre Dame, 365 Fitzpatrick Hall, Notre Dame, IN 46556

We propose a data-driven, coarse-graining formulation in the context of equilibrium statistical mechanics. In contrast to existing techniques which are based on a fine-to-coarse map, we adopt the opposite strategy by prescribing a probabilistic coarse-to-fine map. This corresponds to a directed probabilistic model where the coarse variables play the role of latent generators of the fine scale (all-atom) data. From an information-theoretic perspective, the framework proposed provides an improvement upon the relative entropy method and is capable of quantifying the uncertainty due to the information loss that unavoidably takes place during the coarse-graining process. Furthermore, it can be readily extendedmore » to a fully Bayesian model where various sources of uncertainties are reflected in the posterior of the model parameters. The latter can be used to produce not only point estimates of fine-scale reconstructions or macroscopic observables, but more importantly, predictive posterior distributions on these quantities. Predictive posterior distributions reflect the confidence of the model as a function of the amount of data and the level of coarse-graining. The issues of model complexity and model selection are seamlessly addressed by employing a hierarchical prior that favors the discovery of sparse solutions, revealing the most prominent features in the coarse-grained model. A flexible and parallelizable Monte Carlo – Expectation–Maximization (MC-EM) scheme is proposed for carrying out inference and learning tasks. A comparative assessment of the proposed methodology is presented for a lattice spin system and the SPC/E water model.« less

Theory of wavelet-based coarse-graining hierarchies for molecular dynamics.

PubMed

Rinderspacher, Berend Christopher; Bardhan, Jaydeep P; Ismail, Ahmed E

2017-07-01

We present a multiresolution approach to compressing the degrees of freedom and potentials associated with molecular dynamics, such as the bond potentials. The approach suggests a systematic way to accelerate large-scale molecular simulations with more than two levels of coarse graining, particularly applications of polymeric materials. In particular, we derive explicit models for (arbitrarily large) linear (homo)polymers and iterative methods to compute large-scale wavelet decompositions from fragment solutions. This approach does not require explicit preparation of atomistic-to-coarse-grained mappings, but instead uses the theory of diffusion wavelets for graph Laplacians to develop system-specific mappings. Our methodology leads to a hierarchy of system-specific coarse-grained degrees of freedom that provides a conceptually clear and mathematically rigorous framework for modeling chemical systems at relevant model scales. The approach is capable of automatically generating as many coarse-grained model scales as necessary, that is, to go beyond the two scales in conventional coarse-grained strategies; furthermore, the wavelet-based coarse-grained models explicitly link time and length scales. Furthermore, a straightforward method for the reintroduction of omitted degrees of freedom is presented, which plays a major role in maintaining model fidelity in long-time simulations and in capturing emergent behaviors.

Modeling disease transmission near eradication: An equation free approach

NASA Astrophysics Data System (ADS)

Williams, Matthew O.; Proctor, Joshua L.; Kutz, J. Nathan

2015-01-01

Although disease transmission in the near eradication regime is inherently stochastic, deterministic quantities such as the probability of eradication are of interest to policy makers and researchers. Rather than running large ensembles of discrete stochastic simulations over long intervals in time to compute these deterministic quantities, we create a data-driven and deterministic "coarse" model for them using the Equation Free (EF) framework. In lieu of deriving an explicit coarse model, the EF framework approximates any needed information, such as coarse time derivatives, by running short computational experiments. However, the choice of the coarse variables (i.e., the state of the coarse system) is critical if the resulting model is to be accurate. In this manuscript, we propose a set of coarse variables that result in an accurate model in the endemic and near eradication regimes, and demonstrate this on a compartmental model representing the spread of Poliomyelitis. When combined with adaptive time-stepping coarse projective integrators, this approach can yield over a factor of two speedup compared to direct simulation, and due to its lower dimensionality, could be beneficial when conducting systems level tasks such as designing eradication or monitoring campaigns.

Proposed Standard For Variable Format Picture Processing And A Codec Approach To Match Diverse Imaging Devices

NASA Astrophysics Data System (ADS)

Wendler, Th.; Meyer-Ebrecht, D.

1982-01-01

Picture archiving and communication systems, especially those for medical applications, will offer the potential to integrate the various image sources of different nature. A major problem, however, is the incompatibility of the different matrix sizes and data formats. This may be overcome by a novel hierarchical coding process, which could lead to a unified picture format standard. A picture coding scheme is described, which decomposites a given (2n)2 picture matrix into a basic (2m)2 coarse information matrix (representing lower spatial frequencies) and a set of n-m detail matrices, containing information of increasing spatial resolution. Thus, the picture is described by an ordered set of data blocks rather than by a full resolution matrix of pixels. The blocks of data are transferred and stored using data formats, which have to be standardized throughout the system. Picture sources, which produce pictures of different resolution, will provide the coarse-matrix datablock and additionally only those detail matrices that correspond to their required resolution. Correspondingly, only those detail-matrix blocks need to be retrieved from the picture base, that are actually required for softcopy or hardcopy output. Thus, picture sources and retrieval terminals of diverse nature and retrieval processes for diverse purposes are easily made compatible. Furthermore this approach will yield an economic use of storage space and transmission capacity: In contrast to fixed formats, redundand data blocks are always skipped. The user will get a coarse representation even of a high-resolution picture almost instantaneously with gradually added details, and may abort transmission at any desired detail level. The coding scheme applies the S-transform, which is a simple add/substract algorithm basically derived from the Hadamard Transform. Thus, an additional data compression can easily be achieved especially for high-resolution pictures by applying appropriate non-linear and/or adaptive quantizing.

On the intrinsic flexibility of the opioid receptor through multiscale modeling approaches

NASA Astrophysics Data System (ADS)

Vercauteren, Daniel; FosséPré, Mathieu; Leherte, Laurence; Laaksonen, Aatto

Numerous releases of G protein-coupled receptors crystalline structures created the opportunity for computational methods to widely explore their dynamics. Here, we study the biological implication of the intrinsic flexibility properties of opioid receptor OR. First, one performed classical all-atom (AA) Molecular Dynamics (MD) simulations of OR in its apo-form. We highlighted that the various degrees of bendability of the α-helices present important consequences on the plasticity of the binding site. Hence, this latter adopts a wide diversity of shape and volume, explaining why OR interacts with very diverse ligands. Then, one introduces a new strategy for parameterizing purely mechanical but precise coarse-grained (CG) elastic network models (ENMs). The CG ENMs reproduced in a high accurate way the flexibility properties of OR versus the AA simulations. At last, one uses network modularization to design multi-grained (MG) models. They represent a novel type of low resolution models, different in nature versus CG models as being true multi-resolution models, i . e ., each MG grouping a different number of residues. The three parts constitute hierarchical and multiscale approach for tackling the flexibility of OR.

Multi-scale modeling of diffusion-controlled reactions in polymers: renormalisation of reactivity parameters.

PubMed

Everaers, Ralf; Rosa, Angelo

2012-01-07

The quantitative description of polymeric systems requires hierarchical modeling schemes, which bridge the gap between the atomic scale, relevant to chemical or biomolecular reactions, and the macromolecular scale, where the longest relaxation modes occur. Here, we use the formalism for diffusion-controlled reactions in polymers developed by Wilemski, Fixman, and Doi to discuss the renormalisation of the reactivity parameters in polymer models with varying spatial resolution. In particular, we show that the adjustments are independent of chain length. As a consequence, it is possible to match reactions times between descriptions with different resolution for relatively short reference chains and to use the coarse-grained model to make quantitative predictions for longer chains. We illustrate our results by a detailed discussion of the classical problem of chain cyclization in the Rouse model, which offers the simplest example of a multi-scale descriptions, if we consider differently discretized Rouse models for the same physical system. Moreover, we are able to explore different combinations of compact and non-compact diffusion in the local and large-scale dynamics by varying the embedding dimension.

A novel capacitive absolute positioning sensor based on time grating with nanometer resolution

NASA Astrophysics Data System (ADS)

Pu, Hongji; Liu, Hongzhong; Liu, Xiaokang; Peng, Kai; Yu, Zhicheng

2018-05-01

The present work proposes a novel capacitive absolute positioning sensor based on time grating. The sensor includes a fine incremental-displacement measurement component combined with a coarse absolute-position measurement component to obtain high-resolution absolute positioning measurements. A single row type sensor was proposed to achieve fine displacement measurement, which combines the two electrode rows of a previously proposed double-row type capacitive displacement sensor based on time grating into a single row. To achieve absolute positioning measurement, the coarse measurement component is designed as a single-row type displacement sensor employing a single spatial period over the entire measurement range. In addition, this component employs a rectangular induction electrode and four groups of orthogonal discrete excitation electrodes with half-sinusoidal envelope shapes, which were formed by alternately extending the rectangular electrodes of the fine measurement component. The fine and coarse measurement components are tightly integrated to form a compact absolute positioning sensor. A prototype sensor was manufactured using printed circuit board technology for testing and optimization of the design in conjunction with simulations. Experimental results show that the prototype sensor achieves a ±300 nm measurement accuracy with a 1 nm resolution over a displacement range of 200 mm when employing error compensation. The proposed sensor is an excellent alternative to presently available long-range absolute nanometrology sensors owing to its low cost, simple structure, and ease of manufacturing.

X-ray structure determination using low-resolution electron microscopy maps for molecular replacement

DOE PAGES

Jackson, Ryan N.; McCoy, Airlie J.; Terwilliger, Thomas C.; ...

2015-07-30

Structures of multi-subunit macromolecular machines are primarily determined by either electron microscopy (EM) or X-ray crystallography. In many cases, a structure for a complex can be obtained at low resolution (at a coarse level of detail) with EM and at higher resolution (with finer detail) by X-ray crystallography. The integration of these two structural techniques is becoming increasingly important for generating atomic models of macromolecular complexes. A low-resolution EM image can be a powerful tool for obtaining the "phase" information that is missing from an X-ray crystallography experiment, however integration of EM and X-ray diffraction data has been technically challenging.more » Here we show a step-by-step protocol that explains how low-resolution EM maps can be placed in the crystallographic unit cell by molecular replacement, and how initial phases computed from the placed EM density are extended to high resolution by averaging maps over non-crystallographic symmetry. As the resolution gap between EM and Xray crystallography continues to narrow, the use of EM maps to help with X-ray crystal structure determination, as described in this protocol, will become increasingly effective.« less

Dynamics of the Glycophorin A Dimer in Membranes of Native-Like Composition Uncovered by Coarse-Grained Molecular Dynamics Simulations.

PubMed

Flinner, Nadine; Schleiff, Enrico

2015-01-01

Membranes are central for cells as borders to the environment or intracellular organelle definition. They are composed of and harbor different molecules like various lipid species and sterols, and they are generally crowded with proteins. The membrane system is very dynamic and components show lateral, rotational and translational diffusion. The consequence of the latter is that phase separation can occur in membranes in vivo and in vitro. It was documented that molecular dynamics simulations of an idealized plasma membrane model result in formation of membrane areas where either saturated lipids and cholesterol (liquid-ordered character, Lo) or unsaturated lipids (liquid-disordered character, Ld) were enriched. Furthermore, current discussions favor the idea that proteins are sorted into the liquid-disordered phase of model membranes, but experimental support for the behavior of isolated proteins in native membranes is sparse. To gain insight into the protein behavior we built a model of the red blood cell membrane with integrated glycophorin A dimer. The sorting and the dynamics of the dimer were subsequently explored by coarse-grained molecular dynamics simulations. In addition, we inspected the impact of lipid head groups and the presence of cholesterol within the membrane on the dynamics of the dimer within the membrane. We observed that cholesterol is important for the formation of membrane areas with Lo and Ld character. Moreover, it is an important factor for the reproduction of the dynamic behavior of the protein found in its native environment. The protein dimer was exclusively sorted into the domain of Ld character in the model red blood cell plasma membrane. Therefore, we present structural information on the glycophorin A dimer distribution in the plasma membrane in the absence of other factors like e.g. lipid anchors in a coarse grain resolution.

Encoding of Natural Sounds at Multiple Spectral and Temporal Resolutions in the Human Auditory Cortex

PubMed Central

Santoro, Roberta; Moerel, Michelle; De Martino, Federico; Goebel, Rainer; Ugurbil, Kamil; Yacoub, Essa; Formisano, Elia

2014-01-01

Functional neuroimaging research provides detailed observations of the response patterns that natural sounds (e.g. human voices and speech, animal cries, environmental sounds) evoke in the human brain. The computational and representational mechanisms underlying these observations, however, remain largely unknown. Here we combine high spatial resolution (3 and 7 Tesla) functional magnetic resonance imaging (fMRI) with computational modeling to reveal how natural sounds are represented in the human brain. We compare competing models of sound representations and select the model that most accurately predicts fMRI response patterns to natural sounds. Our results show that the cortical encoding of natural sounds entails the formation of multiple representations of sound spectrograms with different degrees of spectral and temporal resolution. The cortex derives these multi-resolution representations through frequency-specific neural processing channels and through the combined analysis of the spectral and temporal modulations in the spectrogram. Furthermore, our findings suggest that a spectral-temporal resolution trade-off may govern the modulation tuning of neuronal populations throughout the auditory cortex. Specifically, our fMRI results suggest that neuronal populations in posterior/dorsal auditory regions preferably encode coarse spectral information with high temporal precision. Vice-versa, neuronal populations in anterior/ventral auditory regions preferably encode fine-grained spectral information with low temporal precision. We propose that such a multi-resolution analysis may be crucially relevant for flexible and behaviorally-relevant sound processing and may constitute one of the computational underpinnings of functional specialization in auditory cortex. PMID:24391486

Landsat and Sentinel-2A Surface Albedo Estimation and Evaluation Against In Situ Measurements Across the US SURFRAD Network

NASA Astrophysics Data System (ADS)

Franch, B.; Skakun, S.; Vermote, E.; Roger, J. C.

2017-12-01

Surface albedo is an essential parameter not only for developing climate models, but also for most energy balance studies. While climate models are usually applied at coarse resolution, the energy balance studies, which are mainly focused on agricultural applications, require a high spatial resolution. The albedo, estimated through the angular integration of the BRDF, requires an appropriate angular sampling of the surface. However, Sentinel-2A sampling characteristics, with nearly constant observation geometry and low illumination variation, prevent from deriving a surface albedo product. In this work, we apply an algorithm developed to derive a Landsat surface albedo to Sentinel-2A. It is based on the BRDF parameters estimated from the MODerate Resolution Imaging Spectroradiometer (MODIS) CMG surface reflectance product (M{O,Y}D09) using the VJB method (Vermote et al., 2009). Sentinel-2A unsupervised classification images are used to disaggregate the BRDF parameters to the Sentinel-2 spatial resolution. We test the results over five different sites of the US SURFRAD network and plot the results versus albedo field measurements. Additionally, we also test this methodology using Landsat-8 images.

The optical properties, physical properties and direct radiative forcing of urban columnar aerosols in the Yangtze River Delta, China

NASA Astrophysics Data System (ADS)

Zhuang, Bingliang; Wang, Tijian; Liu, Jane; Che, Huizheng; Han, Yong; Fu, Yu; Li, Shu; Xie, Min; Li, Mengmeng; Chen, Pulong; Chen, Huimin; Yang, Xiu-qun; Sun, Jianning

2018-02-01

The optical and physical properties as well as the direct radiative forcings (DRFs) of fractionated aerosols in the urban area of the western Yangtze River Delta (YRD) are investigated with measurements from a Cimel sun photometer combined with a radiation transfer model. Ground-based observations of aerosols have much higher temporal resolutions than satellite retrievals. An initial analysis reveals the characteristics of the optical properties of different types of fractionated aerosols in the western YRD. The total aerosols, mostly composed of scattering components (93.8 %), have mean optical depths of 0.65 at 550 nm and refractive index of 1.44 + 0.0084i at 440 nm. The fine aerosols are approximately four times more abundant and have very different compositions from coarse aerosols. The absorbing components account for only ˜ 4.6 % of fine aerosols and 15.5 % of coarse aerosols and have smaller sizes than the scattering aerosols within the same mode. Therefore, fine particles have stronger scattering than coarse ones, simultaneously reflecting the different size distributions between the absorbing and scattering aerosols. The relationships among the optical properties quantify the aerosol mixing and imply that approximately 15 and 27.5 % of the total occurrences result in dust- and black-carbon-dominating mixing aerosols, respectively, in the western YRD. Unlike the optical properties, the size distributions of aerosols in the western YRD are similar to those found at other sites over eastern China on a climatological scale, peaking at radii of 0.148 and 2.94 µm. However, further analysis reveals that the coarse-dominated particles can also lead to severe haze pollution over the YRD. Observation-based estimations indicate that both fine and coarse aerosols in the western YRD exert negative DRFs, and this is especially true for fine aerosols (-11.17 W m-2 at the top of atmosphere, TOA). A higher absorption fraction leads directly to the negative DRF being further offset for coarse aerosols (-0.33 W m-2) at the TOA. Similarly, the coarse-mode DRF contributes to only 13.3 % of the total scattering aerosols but > 33.7 % to the total absorbing aerosols. A sensitivity analysis states that aerosol DRFs are not highly sensitive to their profiles in clear-sky conditions. Most of the aerosol properties and DRFs have substantial seasonality in the western YRD. The results further reveal the contributions of each component of the different size particles to the total aerosol optical depths (AODs) and DRFs. Additionally, these results can be used to improve aerosol modelling performance and the modelling of aerosol effects in the eastern regions of China.

Evaluating the influence of spatial resolution of Landsat predictors on the accuracy of biomass models for large-area estimation across the eastern USA

NASA Astrophysics Data System (ADS)

Deo, Ram K.; Domke, Grant M.; Russell, Matthew B.; Woodall, Christopher W.; Andersen, Hans-Erik

2018-05-01

Aboveground biomass (AGB) estimates for regional-scale forest planning have become cost-effective with the free access to satellite data from sensors such as Landsat and MODIS. However, the accuracy of AGB predictions based on passive optical data depends on spatial resolution and spatial extent of target area as fine resolution (small pixels) data are associated with smaller coverage and longer repeat cycles compared to coarse resolution data. This study evaluated various spatial resolutions of Landsat-derived predictors on the accuracy of regional AGB models at three different sites in the eastern USA: Maine, Pennsylvania-New Jersey, and South Carolina. We combined national forest inventory data with Landsat-derived predictors at spatial resolutions ranging from 30–1000 m to understand the optimal spatial resolution of optical data for large-area (regional) AGB estimation. Ten generic models were developed using the data collected in 2014, 2015 and 2016, and the predictions were evaluated (i) at the county-level against the estimates of the USFS Forest Inventory and Analysis Program which relied on EVALIDator tool and national forest inventory data from the 2009–2013 cycle and (ii) within a large number of strips (~1 km wide) predicted via LiDAR metrics at 30 m spatial resolution. The county-level estimates by the EVALIDator and Landsat models were highly related (R 2 > 0.66), although the R 2 varied significantly across sites and resolution of predictors. The mean and standard deviation of county-level estimates followed increasing and decreasing trends, respectively, with models of coarser resolution. The Landsat-based total AGB estimates were larger than the LiDAR-based total estimates within the strips, however the mean of AGB predictions by LiDAR were mostly within one-standard deviations of the mean predictions obtained from the Landsat-based model at any of the resolutions. We conclude that satellite data at resolutions up to 1000 m provide acceptable accuracy for continental scale analysis of AGB.

Frontiers in Atmospheric Chemistry Modelling

NASA Astrophysics Data System (ADS)

Colette, Augustin; Bessagnet, Bertrand; Meleux, Frederik; Rouïl, Laurence

2013-04-01

The first pan-European kilometre-scale atmospheric chemistry simulation is introduced. The continental-scale air pollution episode of January 2009 is modelled with the CHIMERE offline chemistry-transport model with a massive grid of 2 million horizontal points, performed on 2000 CPU of a high performance computing system hosted by the Research and Technology Computing Center at the French Alternative Energies and Atomic Energy Commission (CCRT/CEA). Besides the technical challenge, which demonstrated the robustness of the selected air quality model, we discuss the added value in terms of air pollution modelling and decision support. The comparison with in-situ observations shows that model biases are significantly improved despite some spurious added spatial variability attributed to shortcomings in the emission downscaling process and coarse resolution of the meteorological fields. The increased spatial resolution is clearly beneficial for the detection of exceedances and exposure modelling. We reveal small scale air pollution patterns that highlight the contribution of city plumes to background air pollution levels. Up to a factor 5 underestimation of the fraction of population exposed to detrimental levels of pollution can be obtained with a coarse simulation if subgrid scale correction such as urban increments are ignored. This experiment opens new perspectives for environmental decision making. After two decades of efforts to reduce air pollutant emissions across Europe, the challenge is now to find the optimal trade-off between national and local air quality management strategies. While the first approach is based on sectoral strategies and energy policies, the later builds upon new alternatives such as urban development. The strategies, the decision pathways and the involvement of individual citizen differ, and a compromise based on cost and efficiency must be found. We illustrated how high performance computing in atmospheric science can contribute to this aim. Although further developments are still needed to secure the results for routine policy use, the door is now open...

GlobalSoilMap France: High-resolution spatial modelling the soils of France up to two meter depth.

PubMed

Mulder, V L; Lacoste, M; Richer-de-Forges, A C; Arrouays, D

2016-12-15

This work presents the first GlobalSoilMap (GSM) products for France. We developed an automatic procedure for mapping the primary soil properties (clay, silt, sand, coarse elements, pH, soil organic carbon (SOC), cation exchange capacity (CEC) and soil depth). The procedure employed a data-mining technique and a straightforward method for estimating the 90% confidence intervals (CIs). The most accurate models were obtained for pH, sand and silt. Next, CEC, clay and SOC were found reasonably accurate predicted. Coarse elements and soil depth were the least accurate of all models. Overall, all models were considered robust; important indicators for this were 1) the small difference in model diagnostics between the calibration and cross-validation set, 2) the unbiased mean predictions, 3) the smaller spatial structure of the prediction residuals in comparison to the observations and 4) the similar performance compared to other developed GlobalSoilMap products. Nevertheless, the confidence intervals (CIs) were rather wide for all soil properties. The median predictions became less reliable with increasing depth, as indicated by the increase of CIs with depth. In addition, model accuracy and the corresponding CIs varied depending on the soil variable of interest, soil depth and geographic location. These findings indicated that the CIs are as informative as the model diagnostics. In conclusion, the presented method resulted in reasonably accurate predictions for the majority of the soil properties. End users can employ the products for different purposes, as was demonstrated with some practical examples. The mapping routine is flexible for cloud-computing and provides ample opportunity to be further developed when desired by its users. This allows regional and international GSM partners with fewer resources to develop their own products or, otherwise, to improve the current routine and work together towards a robust high-resolution digital soil map of the world. Copyright © 2016 Elsevier B.V. All rights reserved.

Diesel engine emissions and combustion predictions using advanced mixing models applicable to fuel sprays

NASA Astrophysics Data System (ADS)

Abani, Neerav; Reitz, Rolf D.

2010-09-01

An advanced mixing model was applied to study engine emissions and combustion with different injection strategies ranging from multiple injections, early injection and grouped-hole nozzle injection in light and heavy duty diesel engines. The model was implemented in the KIVA-CHEMKIN engine combustion code and simulations were conducted at different mesh resolutions. The model was compared with the standard KIVA spray model that uses the Lagrangian-Drop and Eulerian-Fluid (LDEF) approach, and a Gas Jet spray model that improves predictions of liquid sprays. A Vapor Particle Method (VPM) is introduced that accounts for sub-grid scale mixing of fuel vapor and more accurately and predicts the mixing of fuel-vapor over a range of mesh resolutions. The fuel vapor is transported as particles until a certain distance from nozzle is reached where the local jet half-width is adequately resolved by the local mesh scale. Within this distance the vapor particle is transported while releasing fuel vapor locally, as determined by a weighting factor. The VPM model more accurately predicts fuel-vapor penetrations for early cycle injections and flame lift-off lengths for late cycle injections. Engine combustion computations show that as compared to the standard KIVA and Gas Jet spray models, the VPM spray model improves predictions of in-cylinder pressure, heat released rate and engine emissions of NOx, CO and soot with coarse mesh resolutions. The VPM spray model is thus a good tool for efficiently investigating diesel engine combustion with practical mesh resolutions, thereby saving computer time.

Unraveling the martian water cycle with high-resolution global climate simulations

NASA Astrophysics Data System (ADS)

Pottier, Alizée; Forget, François; Montmessin, Franck; Navarro, Thomas; Spiga, Aymeric; Millour, Ehouarn; Szantai, André; Madeleine, Jean-Baptiste

2017-07-01

Global climate modeling of the Mars water cycle is usually performed at relatively coarse resolution (200 - 300km), which may not be sufficient to properly represent the impact of waves, fronts, topography effects on the detailed structure of clouds and surface ice deposits. Here, we present new numerical simulations of the annual water cycle performed at a resolution of 1° × 1° (∼ 60 km in latitude). The model includes the radiative effects of clouds, whose influence on the thermal structure and atmospheric dynamics is significant, thus we also examine simulations with inactive clouds to distinguish the direct impact of resolution on circulation and winds from the indirect impact of resolution via water ice clouds. To first order, we find that the high resolution does not dramatically change the behavior of the system, and that simulations performed at ∼ 200 km resolution capture well the behavior of the simulated water cycle and Mars climate. Nevertheless, a detailed comparison between high and low resolution simulations, with reference to observations, reveal several significant changes that impact our understanding of the water cycle active today on Mars. The key northern cap edge dynamics are affected by an increase in baroclinic wave strength, with a complication of northern summer dynamics. South polar frost deposition is modified, with a westward longitudinal shift, since southern dynamics are also influenced. Baroclinic wave mode transitions are observed. New transient phenomena appear, like spiral and streak clouds, already documented in the observations. Atmospheric circulation cells in the polar region exhibit a large variability and are fine structured, with slope winds. Most modeled phenomena affected by high resolution give a picture of a more turbulent planet, inducing further variability. This is challenging for long-period climate studies.

Assimilation of GRACE Terrestrial Water Storage Data into a Land Surface Model: Results for the Mississippi River Basin

NASA Technical Reports Server (NTRS)

Zaitchik, Benjamin F.; Rodell, Matthew; Reichle, Rolf H.

2007-01-01

NASA's GRACE mission has the potential to be extremely valuable for water resources applications and global water cycle research. What makes GRACE unique among Earth Science satellite systems is that it is able to monitor variations in water stored in all forms, from snow and surface water to soil moisture to groundwater in the deepest aquifers. However, the space and time resolutions of GRACE observations are coarse. GRACE typically resolves water storage changes over regions the size of Nebraska on a monthly basis, while city-scale, daily observations would be more useful for water management, agriculture, and weather prediction. High resolution numerical (computer) hydrology models have been developed, which predict the fates of water and energy after they strike the land surface as precipitation and sunlight. These are similar to weather and climate forecast models, which simulate atmospheric processes. We integrated the GRACE observations into a hydrology model using an advanced technique called data assimilation. The results were new estimates of groundwater, soil moisture, and snow variations, which combined the veracity of GRACE with the high resolution of the model. We tested the technique over the Mississippi River basin, but it will be even more valuable in parts of the world which lack reliable data on water availability.

Tunable, mixed-resolution modeling using library-based Monte Carlo and graphics processing units

PubMed Central

Mamonov, Artem B.; Lettieri, Steven; Ding, Ying; Sarver, Jessica L.; Palli, Rohith; Cunningham, Timothy F.; Saxena, Sunil; Zuckerman, Daniel M.

2012-01-01

Building on our recently introduced library-based Monte Carlo (LBMC) approach, we describe a flexible protocol for mixed coarse-grained (CG)/all-atom (AA) simulation of proteins and ligands. In the present implementation of LBMC, protein side chain configurations are pre-calculated and stored in libraries, while bonded interactions along the backbone are treated explicitly. Because the AA side chain coordinates are maintained at minimal run-time cost, arbitrary sites and interaction terms can be turned on to create mixed-resolution models. For example, an AA region of interest such as a binding site can be coupled to a CG model for the rest of the protein. We have additionally developed a hybrid implementation of the generalized Born/surface area (GBSA) implicit solvent model suitable for mixed-resolution models, which in turn was ported to a graphics processing unit (GPU) for faster calculation. The new software was applied to study two systems: (i) the behavior of spin labels on the B1 domain of protein G (GB1) and (ii) docking of randomly initialized estradiol configurations to the ligand binding domain of the estrogen receptor (ERα). The performance of the GPU version of the code was also benchmarked in a number of additional systems. PMID:23162384

Influence of grid resolution, parcel size and drag models on bubbling fluidized bed simulation

DOE PAGES

Lu, Liqiang; Konan, Arthur; Benyahia, Sofiane

2017-06-02

Here in this paper, a bubbling fluidized bed is simulated with different numerical parameters, such as grid resolution and parcel size. We examined also the effect of using two homogeneous drag correlations and a heterogeneous drag based on the energy minimization method. A fast and reliable bubble detection algorithm was developed based on the connected component labeling. The radial and axial solids volume fraction profiles are compared with experiment data and previous simulation results. These results show a significant influence of drag models on bubble size and voidage distributions and a much less dependence on numerical parameters. With a heterogeneousmore » drag model that accounts for sub-scale structures, the void fraction in the bubbling fluidized bed can be well captured with coarse grid and large computation parcels. Refining the CFD grid and reducing the parcel size can improve the simulation results but with a large increase in computation cost.« less

COARSEMAP: synthesis of observations and models for coarse-mode aerosols

NASA Astrophysics Data System (ADS)

Wiedinmyer, C.; Lihavainen, H.; Mahowald, N. M.; Alastuey, A.; Albani, S.; Artaxo, P.; Bergametti, G.; Batterman, S.; Brahney, J.; Duce, R. A.; Feng, Y.; Buck, C.; Ginoux, P. A.; Chen, Y.; Guieu, C.; Cohen, D.; Hand, J. L.; Harrison, R. M.; Herut, B.; Ito, A.; Losno, R.; Gomez, D.; Kanakidou, M.; Landing, W. M.; Laurent, B.; Mihalopoulos, N.; Mackey, K.; Maenhaut, W.; Hueglin, C.; Milando, C.; Miller, R. L.; Myriokefaitakis, S.; Neff, J. C.; Pandolfi, M.; Paytan, A.; Perez Garcia-Pando, C.; Prank, M.; Prospero, J. M.; Tamburo, E.; Varrica, D.; Wong, M.; Zhang, Y.

2017-12-01

Coarse mode aerosols influence Earth's climate and biogeochemistry by interacting with long-wave radiation, promoting ice nucleation, and contributing important elements to biogeochemical cycles during deposition. Yet coarse mode aerosols have received less emphasis in the scientific literature. Here we present first efforts to globally synthesize available mass concentration, composition and optical depth data and modeling for the coarse mode aerosols (<10 µm) in a new project called "COARSEMAP" (http://www.geo.cornell.edu/eas/PeoplePlaces/Faculty/mahowald/COARSEMAP/). We seek more collaborators who have observational data, especially including elemental or composition data, and/or who are interested in detailed modeling of the coarse mode. The goal will be publications synthesizing data with models, as well as providing synthesized results to the wider community.

Wave ensemble forecast system for tropical cyclones in the Australian region

NASA Astrophysics Data System (ADS)

Zieger, Stefan; Greenslade, Diana; Kepert, Jeffrey D.

2018-05-01

Forecasting of waves under extreme conditions such as tropical cyclones is vitally important for many offshore industries, but there remain many challenges. For Northwest Western Australia (NW WA), wave forecasts issued by the Australian Bureau of Meteorology have previously been limited to products from deterministic operational wave models forced by deterministic atmospheric models. The wave models are run over global (resolution 1/4∘) and regional (resolution 1/10∘) domains with forecast ranges of + 7 and + 3 day respectively. Because of this relatively coarse resolution (both in the wave models and in the forcing fields), the accuracy of these products is limited under tropical cyclone conditions. Given this limited accuracy, a new ensemble-based wave forecasting system for the NW WA region has been developed. To achieve this, a new dedicated 8-km resolution grid was nested in the global wave model. Over this grid, the wave model is forced with winds from a bias-corrected European Centre for Medium Range Weather Forecast atmospheric ensemble that comprises 51 ensemble members to take into account the uncertainties in location, intensity and structure of a tropical cyclone system. A unique technique is used to select restart files for each wave ensemble member. The system is designed to operate in real time during the cyclone season providing + 10-day forecasts. This paper will describe the wave forecast components of this system and present the verification metrics and skill for specific events.

Projected changes over western Canada using convection-permitting regional climate model and the pseudo-global warming method

NASA Astrophysics Data System (ADS)

Li, Y.; Kurkute, S.; Chen, L.

2017-12-01

Results from the General Circulation Models (GCMs) suggest more frequent and more severe extreme rain events in a climate warmer than the present. However, current GCMs cannot accurately simulate extreme rainfall events of short duration due to their coarse model resolutions and parameterizations. This limitation makes it difficult to provide the detailed quantitative information for the development of regional adaptation and mitigation strategies. Dynamical downscaling using nested Regional Climate Models (RCMs) are able to capture key regional and local climate processes with an affordable computational cost. Recent studies have demonstrated that the downscaling of GCM results with weather-permitting mesoscale models, such as the pseudo-global warming (PGW) technique, could be a viable and economical approach of obtaining valuable climate change information on regional scales. We have conducted a regional climate 4-km Weather Research and Forecast Model (WRF) simulation with one domain covering the whole western Canada, for a historic run (2000-2015) and a 15-year future run to 2100 and beyond with the PGW forcing. The 4-km resolution allows direct use of microphysics and resolves the convection explicitly, thus providing very convincing spatial detail. With this high-resolution simulation, we are able to study the convective mechanisms, specifically the control of convections over the Prairies, the projected changes of rainfall regimes, and the shift of the convective mechanisms in a warming climate, which has never been examined before numerically at such large scale with such high resolution.

Development and evaluation of a local grid refinement method for block-centered finite-difference groundwater models using shared nodes

USGS Publications Warehouse

Mehl, S.; Hill, M.C.

2002-01-01

A new method of local grid refinement for two-dimensional block-centered finite-difference meshes is presented in the context of steady-state groundwater-flow modeling. The method uses an iteration-based feedback with shared nodes to couple two separate grids. The new method is evaluated by comparison with results using a uniform fine mesh, a variably spaced mesh, and a traditional method of local grid refinement without a feedback. Results indicate: (1) The new method exhibits quadratic convergence for homogeneous systems and convergence equivalent to uniform-grid refinement for heterogeneous systems. (2) Coupling the coarse grid with the refined grid in a numerically rigorous way allowed for improvement in the coarse-grid results. (3) For heterogeneous systems, commonly used linear interpolation of heads from the large model onto the boundary of the refined model produced heads that are inconsistent with the physics of the flow field. (4) The traditional method works well in situations where the better resolution of the locally refined grid has little influence on the overall flow-system dynamics, but if this is not true, lack of a feedback mechanism produced errors in head up to 3.6% and errors in cell-to-cell flows up to 25%. ?? 2002 Elsevier Science Ltd. All rights reserved.

High-resolution radiography by means of a hodoscope

DOEpatents

De Volpi, Alexander

1978-01-01

The fast neutron hodoscope, a device that produces neutron radiographs with coarse space resolution in a short time, is modified to produce neutron or gamma radiographs of relatively thick samples and with high space resolution. The modification comprises motorizing a neutron and gamma collimator to permit a controlled scanning pattern, simultaneous collection of data in a number of hodoscope channels over a period of time, and computerized image reconstruction of the data thus gathered.

Fine resolution probabilistic land cover classification of landscapes in the southeastern United States

Treesearch

Joseph St. Peter; John Hogland; Nathaniel Anderson; Jason Drake; Paul Medley

2018-01-01

Land cover classification provides valuable information for prioritizing management and conservation operations across large landscapes. Current regional scale land cover geospatial products within the United States have a spatial resolution that is too coarse to provide the necessary information for operations at the local and project scales. This paper describes a...

Deriving a global land surface albedo product from Landsat MSS, TM, ETM+, and OLI data based on the unified direct estimation approach

USDA-ARS?s Scientific Manuscript database

Surface albedo is widely used in climate and environment applications as an important parameter for controlling the surface energy budget. There is an increasing need for fine resolution (< 100 m) albedo data for use in small scale applications and for validating coarse-resolution datasets; however,...

Evaluating the effect of remote sensing image spatial resolution on soil exchangeable potassium prediction models in smallholder farm settings.

PubMed

Xu, Yiming; Smith, Scot E; Grunwald, Sabine; Abd-Elrahman, Amr; Wani, Suhas P

2017-09-15

Major end users of Digital Soil Mapping (DSM) such as policy makers and agricultural extension workers are faced with choosing the appropriate remote sensing data. The objective of this research is to analyze the spatial resolution effects of different remote sensing images on soil prediction models in two smallholder farms in Southern India called Kothapally (Telangana State), and Masuti (Karnataka State), and provide empirical guidelines to choose the appropriate remote sensing images in DSM. Bayesian kriging (BK) was utilized to characterize the spatial pattern of exchangeable potassium (K ex ) in the topsoil (0-15 cm) at different spatial resolutions by incorporating spectral indices from Landsat 8 (30 m), RapidEye (5 m), and WorldView-2/GeoEye-1/Pleiades-1A images (2 m). Some spectral indices such as band reflectances, band ratios, Crust Index and Atmospherically Resistant Vegetation Index from multiple images showed relatively strong correlations with soil K ex in two study areas. The research also suggested that fine spatial resolution WorldView-2/GeoEye-1/Pleiades-1A-based and RapidEye-based soil prediction models would not necessarily have higher prediction performance than coarse spatial resolution Landsat 8-based soil prediction models. The end users of DSM in smallholder farm settings need select the appropriate spectral indices and consider different factors such as the spatial resolution, band width, spectral resolution, temporal frequency, cost, and processing time of different remote sensing images. Overall, remote sensing-based Digital Soil Mapping has potential to be promoted to smallholder farm settings all over the world and help smallholder farmers implement sustainable and field-specific soil nutrient management scheme. Copyright © 2017 Elsevier Ltd. All rights reserved.

Seismo-acoustic imaging of marine hard substrate habitats: a case study from the German Bight (SE North Sea)

NASA Astrophysics Data System (ADS)

Papenmeier, Svenja; Hass, H. Christian

2016-04-01

The detection of hard substrate habitats in sublittoral environments is a considerable challenge in spite of modern high resolution hydroacoustic techniques. In offshore areas those habitats are mainly represented by either cobbles and boulders (stones) often located in wide areas of soft sediments or by glacial relict sediments (heterogeneous mixture of medium sand to gravel size with cobbles and boulders). Sediment classification and object detection is commonly done on the basis of hydroacoustic backscatter intensities recorded with e.g. sidescan sonar (SSS) and multibeam echo sounder (MBES). Single objects lying on the sediment such as stones can generally be recognized by the acoustic shadow behind the object. However, objects close to the sonar's nadir may remain undetected because their shadows are below the data resolution. Further limitation in the detection of objects is caused by sessile communities that thrive on the objects. The bio-cover tends to absorb most of the acoustic signal. Automated identification based on the backscatter signal is often not satisfactory, especially when stones are present in a setting with glacial deposits. Areas characterized by glacial relict sediments are hardly differentiable in their backscatter characteristics from rippled coarse sand and fine gravel (rippled coarse sediments) without an intensive ground-truthing program. From the ecological point of view the relict and rippled coarse sediments are completely different habitats and need to be distinguished. The case study represents a seismo-acoustic approach in which SSS and nonlinear sediment echo sounder (SES) data are combined to enable a reliable and reproducible differentiation between relict sediments (with stones and coarse gravels) and rippled coarse sediments. Elevated objects produce hyperbola signatures at the sediment surface in the echo data which can be used to complement the SSS data. The nonlinear acoustic propagation of the SES sound pulses produces a comparably small foot print which results in high spatial resolution (decimeter in the xyz directions) and hence allows a more precise demarcation of hard substrate areas. Data for this study were recorded in the "Sylt Outer Reef" (German Bight, North Sea) in May 2013 and March 2015. The investigated area is characterized by heterogeneously distributed moraine deposits and rippled coarse sediments partly draped with Holocene fine sands. The relict sediments and the rippled coarse sediments indicate both high backscatter intensities but can be distinguished by means of the hyperbola locations. The northeast of the study area is dominated by rippled coarse sediments (without hyperbolas) and the southwestern part by relict sediments with a high amount of stones represented by hyperbolas which is also proven by extensive ground-truthing (grab sampling and high quality underwater videos). An automated procedure to identify and export the hyperbola positions makes the demarcation of hard substrate grounds (here: relict sediments) reproducible, faster and less complex in comparison to the visual-manual identification on the basis of sidescan sonar data.

Southern Ocean eddy compensation in a forced eddy-resolving GCM

NASA Astrophysics Data System (ADS)

Bruun Poulsen, Mads; Jochum, Markus; Eden, Carsten; Nuterman, Roman

2017-04-01

Contemporary eddy-resolving model studies have demonstrated that the common parameterisation of isopycnal mixing in the ocean is subject to limitations in the Southern Ocean where the mesoscale eddies are of leading order importance to the dynamics. We here present forced simulations from the Community Earth System Model on a global {1/10}° and 1° horizontal grid, the latter employing an eddy parameterisation, where the strength of the zonal wind stress south of 25°S has been varied. With a 50% zonally symmetric increase of the wind stress, we show that the two models arrive at two radically different solutions in terms of the large-scale circulation, with an increase of the deep inflow of water to the Southern Ocean at 40°S by 50% in the high resolution model against 20% at coarse resolution. Together with a weaker vertical displacement of the pycnocline in the 1° model, these results suggest that the parameterised eddies have an overly strong compensating effect on the water mass transformation compared to the explicit eddies. Implications for eddy mixing parameterisations will be discussed.

Simulations of Hurricane Katrina (2005) with the 0.125 degree finite-volume General Circulation Model on the NASA Columbia Supercomputer

NASA Technical Reports Server (NTRS)

Shen, B.-W.; Atlas, R.; Reale, O.; Lin, S.-J.; Chern, J.-D.; Chang, J.; Henze, C.

2006-01-01

Hurricane Katrina was the sixth most intense hurricane in the Atlantic. Katrina's forecast poses major challenges, the most important of which is its rapid intensification. Hurricane intensity forecast with General Circulation Models (GCMs) is difficult because of their coarse resolution. In this article, six 5-day simulations with the ultra-high resolution finite-volume GCM are conducted on the NASA Columbia supercomputer to show the effects of increased resolution on the intensity predictions of Katrina. It is found that the 0.125 degree runs give comparable tracks to the 0.25 degree, but provide better intensity forecasts, bringing the center pressure much closer to observations with differences of only plus or minus 12 hPa. In the runs initialized at 1200 UTC 25 AUG, the 0.125 degree simulates a more realistic intensification rate and better near-eye wind distributions. Moreover, the first global 0.125 degree simulation without convection parameterization (CP) produces even better intensity evolution and near-eye winds than the control run with CP.

NASCAP simulation of PIX 2 experiments

NASA Technical Reports Server (NTRS)

Roche, J. C.; Mandell, M. J.

1985-01-01

The latest version of the NASCAP/LEO digital computer code used to simulate the PIX 2 experiment is discussed. NASCAP is a finite-element code and previous versions were restricted to a single fixed mesh size. As a consequence the resolution was dictated by the largest physical dimension to be modeled. The latest version of NASCAP/LEO can subdivide selected regions. This permitted the modeling of the overall Delta launch vehicle in the primary computational grid at a coarse resolution, with subdivided regions at finer resolution being used to pick up the details of the experiment module configuration. Langmuir probe data from the flight were used to estimate the space plasma density and temperature and the Delta ground potential relative to the space plasma. This information is needed for input to NASCAP. Because of the uncertainty or variability in the values of these parameters, it was necessary to explore a range around the nominal value in order to determine the variation in current collection. The flight data from PIX 2 were also compared with the results of the NASCAP simulation.

Aerosols in the CALIOPE air quality modelling system: validation and analysis of PM levels, optical depths and chemical composition over Europe

NASA Astrophysics Data System (ADS)

Basart, S.; Pay, M. T.; Jorba, O.; Pérez, C.; Jiménez-Guerrero, P.; Schulz, M.; Baldasano, J. M.

2011-07-01

The CALIOPE high-resolution air quality modelling system is developed and applied to Europe (12 km × 12 km, 1 h). The modelled daily to seasonal aerosol variability over Europe in 2004 have been evaluated and analysed. The aerosols are estimated from two models, CMAQv4.5 (AERO4) and BSC-DREAM8b. CMAQv4.5 calculates biogenic, anthropogenic and sea salt aerosol and BSC-DREAM8b provides the natural mineral dust contribution from North African deserts. For the evaluation, we use daily PM10/PM2.5 and chemical composition data from 54 stations of the EMEP/CREATE network and coarse and fine aerosol optical depth (AOD) data from 35 stations of the AERONET sun photometer network. The model achieves daily PM10 and PM2.5 correlations of 0.57 and 0.47, respectively, and total, coarse and fine AOD correlations of 0.51, 0.63, and 0.53, respectively. The higher correlations of the PM10 and the coarse mode AOD are largely due to the accurate representation of the African dust influence in the forecasting system. Overall PM and AOD levels are underestimated. The evaluation of the chemical composition highlights underestimations of the modelled fine fractions particularly for carbonaceous matter (EC and OC) and secondary inorganic aerosols (SIA; i.e. nitrates, sulphates and ammonium). The scores of the bulk parameters are significantly improved after applying a simple model bias correction based on the chemical composition observations. SIA are dominant in the fine fractions representing up to 80 % of the aerosol budget in latitudes beyond 40° N. The highest aerosol concentrations are found over the industrialized and populated areas of the Po Valley and the Benelux regions. High values in southern Europe are linked to the transport of coarse particles from the Sahara desert which contributes up to 40 % of the total aerosol mass. Close to the surface, maxima dust seasonal concentrations (>30 μg m-3) are found between spring and early autumn. We estimate that desert dust causes daily exceedances of the PM10 European air quality threshold (50 μg m-3) in large areas south of 45° N reaching up to more than 75 days per year in the southernmost regions.

The Canadian Hydrological Model (CHM): A multi-scale, variable-complexity hydrological model for cold regions

NASA Astrophysics Data System (ADS)

Marsh, C.; Pomeroy, J. W.; Wheater, H. S.

2016-12-01

There is a need for hydrological land surface schemes that can link to atmospheric models, provide hydrological prediction at multiple scales and guide the development of multiple objective water predictive systems. Distributed raster-based models suffer from an overrepresentation of topography, leading to wasted computational effort that increases uncertainty due to greater numbers of parameters and initial conditions. The Canadian Hydrological Model (CHM) is a modular, multiphysics, spatially distributed modelling framework designed for representing hydrological processes, including those that operate in cold-regions. Unstructured meshes permit variable spatial resolution, allowing coarse resolutions at low spatial variability and fine resolutions as required. Model uncertainty is reduced by lessening the necessary computational elements relative to high-resolution rasters. CHM uses a novel multi-objective approach for unstructured triangular mesh generation that fulfills hydrologically important constraints (e.g., basin boundaries, water bodies, soil classification, land cover, elevation, and slope/aspect). This provides an efficient spatial representation of parameters and initial conditions, as well as well-formed and well-graded triangles that are suitable for numerical discretization. CHM uses high-quality open source libraries and high performance computing paradigms to provide a framework that allows for integrating current state-of-the-art process algorithms. The impact of changes to model structure, including individual algorithms, parameters, initial conditions, driving meteorology, and spatial/temporal discretization can be easily tested. Initial testing of CHM compared spatial scales and model complexity for a spring melt period at a sub-arctic mountain basin. The meshing algorithm reduced the total number of computational elements and preserved the spatial heterogeneity of predictions.

Parareal in time 3D numerical solver for the LWR Benchmark neutron diffusion transient model

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

Baudron, Anne-Marie, E-mail: anne-marie.baudron@cea.fr; CEA-DRN/DMT/SERMA, CEN-Saclay, 91191 Gif sur Yvette Cedex; Lautard, Jean-Jacques, E-mail: jean-jacques.lautard@cea.fr

2014-12-15

In this paper we present a time-parallel algorithm for the 3D neutrons calculation of a transient model in a nuclear reactor core. The neutrons calculation consists in numerically solving the time dependent diffusion approximation equation, which is a simplified transport equation. The numerical resolution is done with finite elements method based on a tetrahedral meshing of the computational domain, representing the reactor core, and time discretization is achieved using a θ-scheme. The transient model presents moving control rods during the time of the reaction. Therefore, cross-sections (piecewise constants) are taken into account by interpolations with respect to the velocity ofmore » the control rods. The parallelism across the time is achieved by an adequate use of the parareal in time algorithm to the handled problem. This parallel method is a predictor corrector scheme that iteratively combines the use of two kinds of numerical propagators, one coarse and one fine. Our method is made efficient by means of a coarse solver defined with large time step and fixed position control rods model, while the fine propagator is assumed to be a high order numerical approximation of the full model. The parallel implementation of our method provides a good scalability of the algorithm. Numerical results show the efficiency of the parareal method on large light water reactor transient model corresponding to the Langenbuch–Maurer–Werner benchmark.« less

A test of systematic coarse-graining of molecular dynamics simulations: Thermodynamic properties

NASA Astrophysics Data System (ADS)

Fu, Chia-Chun; Kulkarni, Pandurang M.; Scott Shell, M.; Gary Leal, L.

2012-10-01

Coarse-graining (CG) techniques have recently attracted great interest for providing descriptions at a mesoscopic level of resolution that preserve fluid thermodynamic and transport behaviors with a reduced number of degrees of freedom and hence less computational effort. One fundamental question arises: how well and to what extent can a "bottom-up" developed mesoscale model recover the physical properties of a molecular scale system? To answer this question, we explore systematically the properties of a CG model that is developed to represent an intermediate mesoscale model between the atomistic and continuum scales. This CG model aims to reduce the computational cost relative to a full atomistic simulation, and we assess to what extent it is possible to preserve both the thermodynamic and transport properties of an underlying reference all-atom Lennard-Jones (LJ) system. In this paper, only the thermodynamic properties are considered in detail. The transport properties will be examined in subsequent work. To coarse-grain, we first use the iterative Boltzmann inversion (IBI) to determine a CG potential for a (1-ϕ)N mesoscale particle system, where ϕ is the degree of coarse-graining, so as to reproduce the radial distribution function (RDF) of an N atomic particle system. Even though the uniqueness theorem guarantees a one to one relationship between the RDF and an effective pairwise potential, we find that RDFs are insensitive to the long-range part of the IBI-determined potentials, which provides some significant flexibility in further matching other properties. We then propose a reformulation of IBI as a robust minimization procedure that enables simultaneous matching of the RDF and the fluid pressure. We find that this new method mainly changes the attractive tail region of the CG potentials, and it improves the isothermal compressibility relative to pure IBI. We also find that there are optimal interaction cutoff lengths for the CG system, as a function of ϕ, that are required to attain an adequate potential while maintaining computational speedup. To demonstrate the universality of the method, we test a range of state points for the LJ liquid as well as several LJ chain fluids.

Cryogenic scanning tunneling microscope with a magnetic coarse approach

NASA Astrophysics Data System (ADS)

Davydov, D. N.; Deltour, R.; Horii, N.; Timofeev, V. A.; Grokholski, A. S.

1993-11-01

A compact, rigid, and reliable cryogenic scanning tunneling microscope (CSTM) with a vertical electromagnetic coarse approach system was developed. This device can be used for topographic and local tunneling spectroscopy studies at liquid nitrogen and helium temperatures. Minimal step sizes of 28 nm for the electromagnetic translation device were achieved. The additional possibility of a coarse approach operation in the inertial slip-stick mode, without electromagnets, was successfully tested, making this STM compatible with external magnetic fields. A simple technique for characterizing the STM rigidity has been developed. Preliminary data, taken with this instrument are presented, demonstrating the achievement, at liquid helium temperature, of atomic resolution for topographic studies, and also the possibility of measuring simultaneously superconducting energy gap spectra.

From Global Climate Model Projections to Local Impacts Assessments: Analyses in Support of Planning for Climate Change

NASA Astrophysics Data System (ADS)

Snover, A. K.; Littell, J. S.; Mantua, N. J.; Salathe, E. P.; Hamlet, A. F.; McGuire Elsner, M.; Tohver, I.; Lee, S.

2010-12-01

Assessing and planning for the impacts of climate change require regionally-specific information. Information is required not only about projected changes in climate but also the resultant changes in natural and human systems at the temporal and spatial scales of management and decision making. Therefore, climate impacts assessment typically results in a series of analyses, in which relatively coarse-resolution global climate model projections of changes in regional climate are downscaled to provide appropriate input to local impacts models. This talk will describe recent examples in which coarse-resolution (~150 to 300km) GCM output was “translated” into information requested by decision makers at relatively small (watershed) and large (multi-state) scales using regional climate modeling, statistical downscaling, hydrologic modeling, and sector-specific impacts modeling. Projected changes in local air temperature, precipitation, streamflow, and stream temperature were developed to support Seattle City Light’s assessment of climate change impacts on hydroelectric operations, future electricity load, and resident fish populations. A state-wide assessment of climate impacts on eight sectors (agriculture, coasts, energy, forests, human health, hydrology and water resources, salmon, and urban stormwater infrastructure) was developed for Washington State to aid adaptation planning. Hydro-climate change scenarios for approximately 300 streamflow locations in the Columbia River basin and selected coastal drainages west of the Cascades were developed in partnership with major water management agencies in the Pacific Northwest to allow planners to consider how hydrologic changes may affect management objectives. Treatment of uncertainty in these assessments included: using “bracketing” scenarios to describe a range of impacts, using ensemble averages to characterize the central estimate of future conditions (given an emissions scenario), and explicitly assessing the impacts of multiple GCM ensemble members. The implications of various approaches to dealing with uncertainty, such as these, must be carefully communicated to decision makers in order for projected climate impacts to be viewed as credible and used appropriately.

Multiscale geometric modeling of macromolecules II: Lagrangian representation

PubMed Central

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

2013-01-01

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

Towards multi-resolution global climate modeling with ECHAM6-FESOM. Part II: climate variability

NASA Astrophysics Data System (ADS)

Rackow, T.; Goessling, H. F.; Jung, T.; Sidorenko, D.; Semmler, T.; Barbi, D.; Handorf, D.

2018-04-01

This study forms part II of two papers describing ECHAM6-FESOM, a newly established global climate model with a unique multi-resolution sea ice-ocean component. While part I deals with the model description and the mean climate state, here we examine the internal climate variability of the model under constant present-day (1990) conditions. We (1) assess the internal variations in the model in terms of objective variability performance indices, (2) analyze variations in global mean surface temperature and put them in context to variations in the observed record, with particular emphasis on the recent warming slowdown, (3) analyze and validate the most common atmospheric and oceanic variability patterns, (4) diagnose the potential predictability of various climate indices, and (5) put the multi-resolution approach to the test by comparing two setups that differ only in oceanic resolution in the equatorial belt, where one ocean mesh keeps the coarse 1° resolution applied in the adjacent open-ocean regions and the other mesh is gradually refined to 0.25°. Objective variability performance indices show that, in the considered setups, ECHAM6-FESOM performs overall favourably compared to five well-established climate models. Internal variations of the global mean surface temperature in the model are consistent with observed fluctuations and suggest that the recent warming slowdown can be explained as a once-in-one-hundred-years event caused by internal climate variability; periods of strong cooling in the model (`hiatus' analogs) are mainly associated with ENSO-related variability and to a lesser degree also to PDO shifts, with the AMO playing a minor role. Common atmospheric and oceanic variability patterns are simulated largely consistent with their real counterparts. Typical deficits also found in other models at similar resolutions remain, in particular too weak non-seasonal variability of SSTs over large parts of the ocean and episodic periods of almost absent deep-water formation in the Labrador Sea, resulting in overestimated North Atlantic SST variability. Concerning the influence of locally (isotropically) increased resolution, the ENSO pattern and index statistics improve significantly with higher resolution around the equator, illustrating the potential of the novel unstructured-mesh method for global climate modeling.

Stochasticity and organization of tropical convection: Role of stratiform heating in the simulation of MJO in an aquaplanet coarse resolution GCM using a stochastic multicloud parameterization

NASA Astrophysics Data System (ADS)

Khouider, B.; Majda, A.; Deng, Q.; Ravindran, A. M.

2015-12-01

Global climate models (GCMs) are large computer codes based on the discretization of the equations of atmospheric and oceanic motions coupled to various processes of transfer of heat, moisture and other constituents between land, atmosphere, and oceans. Because of computing power limitations, typical GCM grid resolution is on the order of 100 km and the effects of many physical processes, occurring on smaller scales, on the climate system are represented through various closure recipes known as parameterizations. The parameterization of convective motions and many processes associated with cumulus clouds such as the exchange of latent heat and cloud radiative forcing are believed to be behind much of uncertainty in GCMs. Based on a lattice particle interacting system, the stochastic multicloud model (SMCM) provide a novel and efficient representation of the unresolved variability in GCMs due to organized tropical convection and the cloud cover. It is widely recognized that stratiform heating contributes significantly to tropical rainfall and to the dynamics of tropical convective systems by inducing a front-to-rear tilt in the heating profile. Stratiform anvils forming in the wake of deep convection play a central role in the dynamics of tropical mesoscale convective systems. Here, aquaplanet simulations with a warm pool like surface forcing, based on a coarse-resolution GCM , of ˜170 km grid mesh, coupled with SMCM, are used to demonstrate the importance of stratiform heating for the organization of convection on planetary and intraseasonal scales. When some key model parameters are set to produce higher stratiform heating fractions, the model produces low-frequency and planetary-scale Madden Julian oscillation (MJO)-like wave disturbances while lower to moderate stratiform heating fractions yield mainly synoptic-scale convectively coupled Kelvin-like waves. Rooted from the stratiform instability, it is conjectured here that the strength and extent of stratiform downdrafts are key contributors to the scale selection of convective organizations perhaps with mechanisms that are in essence similar to those of mesoscale convective systems.

Ecology and space: A case study in mapping harmful invasive species

USGS Publications Warehouse

David T. Barnett,; Jarnevich, Catherine S.; Chong, Geneva W.; Stohlgren, Thomas J.; Sunil Kumar,; Holcombe, Tracy R.; Brunn, Stanley D.; Dodge, Martin

2017-01-01

The establishment and invasion of non-native plant species have the ability to alter the composition of native species and functioning of ecological systems with financial costs resulting from mitigation and loss of ecological services. Spatially documenting invasions has applications for management and theory, but the utility of maps is challenged by availability and uncertainty of data, and the reliability of extrapolating mapped data in time and space. The extent and resolution of projections also impact the ability to inform invasive species science and management. Early invasive species maps were coarse-grained representations that underscored the phenomena, but had limited capacity to direct management aside from development of watch lists for priorities for prevention and containment. Integrating mapped data sets with fine-resolution environmental variables in the context of species-distribution models allows a description of species-environment relationships and an understanding of how, why, and where invasions may occur. As with maps, the extent and resolution of models impact the resulting insight. Models of cheatgrass (Bromus tectorum) across a variety of spatial scales and grain result in divergent species-environment relationships. New data can improve models and efficiently direct further inventories. Mapping can target areas of greater model uncertainty or the bounds of modeled distribution to efficiently refine models and maps. This iterative process results in dynamic, living maps capable of describing the ongoing process of species invasions.

Simulations and Evaluation of Mesoscale Convective Systems in a Multi-scale Modeling Framework (MMF)

NASA Astrophysics Data System (ADS)

Chern, J. D.; Tao, W. K.

2017-12-01

It is well known that the mesoscale convective systems (MCS) produce more than 50% of rainfall in most tropical regions and play important roles in regional and global water cycles. Simulation of MCSs in global and climate models is a very challenging problem. Typical MCSs have horizontal scale of a few hundred kilometers. Models with a domain of several hundred kilometers and fine enough resolution to properly simulate individual clouds are required to realistically simulate MCSs. The multiscale modeling framework (MMF), which replaces traditional cloud parameterizations with cloud-resolving models (CRMs) within a host atmospheric general circulation model (GCM), has shown some capabilities of simulating organized MCS-like storm signals and propagations. However, its embedded CRMs typically have small domain (less than 128 km) and coarse resolution ( 4 km) that cannot realistically simulate MCSs and individual clouds. In this study, a series of simulations were performed using the Goddard MMF. The impacts of the domain size and model grid resolution of the embedded CRMs on simulating MCSs are examined. The changes of cloud structure, occurrence, and properties such as cloud types, updraft and downdraft, latent heating profile, and cold pool strength in the embedded CRMs are examined in details. The simulated MCS characteristics are evaluated against satellite measurements using the Goddard Satellite Data Simulator Unit. The results indicate that embedded CRMs with large domain and fine resolution tend to produce better simulations compared to those simulations with typical MMF configuration (128 km domain size and 4 km model grid spacing).

How does dynamical downscaling affect model biases and future projections of explosive extratropical cyclones along North America's Atlantic coast?

NASA Astrophysics Data System (ADS)

Seiler, C.; Zwiers, F. W.; Hodges, K. I.; Scinocca, J. F.

2018-01-01

Explosive extratropical cyclones (EETCs) are rapidly intensifying low pressure systems that generate severe weather along North America's Atlantic coast. Global climate models (GCMs) tend to simulate too few EETCs, perhaps partly due to their coarse horizontal resolution and poorly resolved moist diabatic processes. This study explores whether dynamical downscaling can reduce EETC frequency biases, and whether this affects future projections of storms along North America's Atlantic coast. A regional climate model (CanRCM4) is forced with the CanESM2 GCM for the periods 1981 to 2000 and 2081 to 2100. EETCs are tracked from relative vorticity using an objective feature tracking algorithm. CanESM2 simulates 38% fewer EETC tracks compared to reanalysis data, which is consistent with a negative Eady growth rate bias (-0.1 day^{-1}). Downscaling CanESM2 with CanRCM4 increases EETC frequency by one third, which reduces the frequency bias to -22%, and increases maximum EETC precipitation by 22%. Anthropogenic greenhouse gas forcing is projected to decrease EETC frequency (-15%, -18%) and Eady growth rate (-0.2 day^{-1}, -0.2 day^{-1}), and increase maximum EETC precipitation (46%, 52%) in CanESM2 and CanRCM4, respectively. The limited effect of dynamical downscaling on EETC frequency projections is consistent with the lack of impact on the maximum Eady growth rate. The coarse spatial resolution of GCMs presents an important limitation for simulating extreme ETCs, but Eady growth rate biases are likely just as relevant. Further bias reductions could be achieved by addressing processes that lead to an underestimation of lower tropospheric meridional temperature gradients.

Uncertainty in predicting soil hydraulic properties at the hillslope scale with indirect methods

NASA Astrophysics Data System (ADS)

Chirico, G. B.; Medina, H.; Romano, N.

2007-02-01

SummarySeveral hydrological applications require the characterisation of the soil hydraulic properties at large spatial scales. Pedotransfer functions (PTFs) are being developed as simplified methods to estimate soil hydraulic properties as an alternative to direct measurements, which are unfeasible for most practical circumstances. The objective of this study is to quantify the uncertainty in PTFs spatial predictions at the hillslope scale as related to the sampling density, due to: (i) the error in estimated soil physico-chemical properties and (ii) PTF model error. The analysis is carried out on a 2-km-long experimental hillslope in South Italy. The method adopted is based on a stochastic generation of patterns of soil variables using sequential Gaussian simulation, conditioned to the observed sample data. The following PTFs are applied: Vereecken's PTF [Vereecken, H., Diels, J., van Orshoven, J., Feyen, J., Bouma, J., 1992. Functional evaluation of pedotransfer functions for the estimation of soil hydraulic properties. Soil Sci. Soc. Am. J. 56, 1371-1378] and HYPRES PTF [Wösten, J.H.M., Lilly, A., Nemes, A., Le Bas, C., 1999. Development and use of a database of hydraulic properties of European soils. Geoderma 90, 169-185]. The two PTFs estimate reliably the soil water retention characteristic even for a relatively coarse sampling resolution, with prediction uncertainties comparable to the uncertainties in direct laboratory or field measurements. The uncertainty of soil water retention prediction due to the model error is as much as or more significant than the uncertainty associated with the estimated input, even for a relatively coarse sampling resolution. Prediction uncertainties are much more important when PTF are applied to estimate the saturated hydraulic conductivity. In this case model error dominates the overall prediction uncertainties, making negligible the effect of the input error.

Hamiltonian adaptive resolution molecular dynamics simulation of infrared dielectric functions of liquids

NASA Astrophysics Data System (ADS)

Wang, C. C.; Tan, J. Y.; Liu, L. H.

2018-05-01

Hamiltonian adaptive resolution scheme (H-AdResS), which allows to simulate materials by treating different domains of the system at different levels of resolution, is a recently proposed atomistic/coarse-grained multiscale model. In this work, a scheme to calculate the dielectric functions of liquids on account of H-AdResS is presented. In the proposed H-AdResS dielectric-function calculation scheme (DielectFunctCalS), the corrected molecular dipole moments are calculated by multiplying molecular dipole moment by the weighting fraction of the molecular mapping point. As the widths of all-atom and hybrid regions show different degrees of influence on the dielectric functions, a prefactor is multiplied to eliminate the effects of all-atom and hybrid region widths. Since one goal of using the H-AdResS method is to reduce computational costs, widths of the all-atom region and the hybrid region can be reduced considering that the coarse-grained simulation is much more timesaving compared to atomistic simulation. Liquid water and ethanol are taken as test cases to validate the DielectFunctCalS. The H-AdResS DielectFunctCalS results are in good agreement with all-atom molecular dynamics simulations. The accuracy of the H-AdResS results, together with all-atom molecular dynamics results, depends heavily on the choice of the force field and force field parameters. The H-AdResS DielectFunctCalS allows us to calculate the dielectric functions of macromolecule systems with high efficiency and makes the dielectric function calculations of large biomolecular systems possible.

Impacts of spatial resolution and representation of flow connectivity on large-scale simulation of floods

NASA Astrophysics Data System (ADS)

Mateo, Cherry May R.; Yamazaki, Dai; Kim, Hyungjun; Champathong, Adisorn; Vaze, Jai; Oki, Taikan

2017-10-01

Global-scale river models (GRMs) are core tools for providing consistent estimates of global flood hazard, especially in data-scarce regions. Due to former limitations in computational power and input datasets, most GRMs have been developed to use simplified representations of flow physics and run at coarse spatial resolutions. With increasing computational power and improved datasets, the application of GRMs to finer resolutions is becoming a reality. To support development in this direction, the suitability of GRMs for application to finer resolutions needs to be assessed. This study investigates the impacts of spatial resolution and flow connectivity representation on the predictive capability of a GRM, CaMa-Flood, in simulating the 2011 extreme flood in Thailand. Analyses show that when single downstream connectivity (SDC) is assumed, simulation results deteriorate with finer spatial resolution; Nash-Sutcliffe efficiency coefficients decreased by more than 50 % between simulation results at 10 km resolution and 1 km resolution. When multiple downstream connectivity (MDC) is represented, simulation results slightly improve with finer spatial resolution. The SDC simulations result in excessive backflows on very flat floodplains due to the restrictive flow directions at finer resolutions. MDC channels attenuated these effects by maintaining flow connectivity and flow capacity between floodplains in varying spatial resolutions. While a regional-scale flood was chosen as a test case, these findings should be universal and may have significant impacts on large- to global-scale simulations, especially in regions where mega deltas exist.These results demonstrate that a GRM can be used for higher resolution simulations of large-scale floods, provided that MDC in rivers and floodplains is adequately represented in the model structure.

Simulation of heat and mass transfer in turbulent channel flow using the spectral-element method: effect of spatial resolution

NASA Astrophysics Data System (ADS)

Ryzhenkov, V.; Ivashchenko, V.; Vinuesa, R.; Mullyadzhanov, R.

2016-10-01

We use the open-source code nek5000 to assess the accuracy of high-order spectral element large-eddy simulations (LES) of a turbulent channel flow depending on the spatial resolution compared to the direct numerical simulation (DNS). The Reynolds number Re = 6800 is considered based on the bulk velocity and half-width of the channel. The filtered governing equations are closed with the dynamic Smagorinsky model for subgrid stresses and heat flux. The results show very good agreement between LES and DNS for time-averaged velocity and temperature profiles and their fluctuations. Even the coarse LES grid which contains around 30 times less points than the DNS one provided predictions of the friction velocity within 2.0% accuracy interval.

Object-Based Paddy Rice Mapping Using HJ-1A/B Data and Temporal Features Extracted from Time Series MODIS NDVI Data

PubMed Central

Singha, Mrinal; Wu, Bingfang; Zhang, Miao

2016-01-01

Accurate and timely mapping of paddy rice is vital for food security and environmental sustainability. This study evaluates the utility of temporal features extracted from coarse resolution data for object-based paddy rice classification of fine resolution data. The coarse resolution vegetation index data is first fused with the fine resolution data to generate the time series fine resolution data. Temporal features are extracted from the fused data and added with the multi-spectral data to improve the classification accuracy. Temporal features provided the crop growth information, while multi-spectral data provided the pattern variation of paddy rice. The achieved overall classification accuracy and kappa coefficient were 84.37% and 0.68, respectively. The results indicate that the use of temporal features improved the overall classification accuracy of a single-date multi-spectral image by 18.75% from 65.62% to 84.37%. The minimum sensitivity (MS) of the paddy rice classification has also been improved. The comparison showed that the mapped paddy area was analogous to the agricultural statistics at the district level. This work also highlighted the importance of feature selection to achieve higher classification accuracies. These results demonstrate the potential of the combined use of temporal and spectral features for accurate paddy rice classification. PMID:28025525

Object-Based Paddy Rice Mapping Using HJ-1A/B Data and Temporal Features Extracted from Time Series MODIS NDVI Data.

PubMed

Singha, Mrinal; Wu, Bingfang; Zhang, Miao

2016-12-22

Accurate and timely mapping of paddy rice is vital for food security and environmental sustainability. This study evaluates the utility of temporal features extracted from coarse resolution data for object-based paddy rice classification of fine resolution data. The coarse resolution vegetation index data is first fused with the fine resolution data to generate the time series fine resolution data. Temporal features are extracted from the fused data and added with the multi-spectral data to improve the classification accuracy. Temporal features provided the crop growth information, while multi-spectral data provided the pattern variation of paddy rice. The achieved overall classification accuracy and kappa coefficient were 84.37% and 0.68, respectively. The results indicate that the use of temporal features improved the overall classification accuracy of a single-date multi-spectral image by 18.75% from 65.62% to 84.37%. The minimum sensitivity (MS) of the paddy rice classification has also been improved. The comparison showed that the mapped paddy area was analogous to the agricultural statistics at the district level. This work also highlighted the importance of feature selection to achieve higher classification accuracies. These results demonstrate the potential of the combined use of temporal and spectral features for accurate paddy rice classification.

Statistical Examination of the Resolution of a Block-Scale Urban Drainage Model

NASA Astrophysics Data System (ADS)

Goldstein, A.; Montalto, F. A.; Digiovanni, K. A.

2009-12-01

Stormwater drainage models are utilized by cities in order to plan retention systems to prevent combined sewage overflows and design for development. These models aggregate subcatchments and ignore small pipelines providing a coarse representation of a sewage network. This study evaluates the importance of resolution by comparing two models developed on a neighborhood scale for predicting the total quantity and peak flow of runoff to observed runoff measured at the site. The low and high resolution models were designed for a 2.6 ha block in Bronx, NYC in EPA Stormwater Management Model (SWMM) using a single catchment and separate subcatchments based on surface cover, respectively. The surface covers represented included sidewalks, street, buildings, and backyards. Characteristics for physical surfaces and the infrastructure in the high resolution mode were determined from site visits, sewer pipe maps, aerial photographs, and GIS data-sets provided by the NYC Department of City Planning. Since the low resolution model was depicted at a coarser scale, generalizations were assumed about the overall average characteristics of the catchment. Rainfall and runoff data were monitored over a four month period during the summer rainy season. A total of 53 rain fall events were recorded but only 29 storms produced significant amount of runoffs to be evaluated in the simulations. To determine which model was more accurate at predicting the observed runoff, three characteristics for each storm were compared: peak runoff, total runoff, and time to peak. Two statistical tests were used to determine the significance of the results: the percent difference for each storm and the overall Chi-squared Goodness of Fit distribution for both the low and high resolution model. These tests will evaluate if there is a statistical difference depending on the resolution of scale of the stormwater model. The scale of representation is being evaluated because it could have a profound impact on how low-impact development strategies are assessed. Rerouting flows to delay the time of entry into the combined sewage is the primary goal of stormwater source controls which may be better differentiated in a high resolution as opposed to low resolution model. The preliminary hypothesis is that the low resolution model simplifies watershed by defining attributes uniformly across the watershed. In the high resolution model, the physical flow can be more accurate depicted by connected the various subcatchments. For example, the runoff from buildings can directly be routed to the backyard. The main drawback to the high resolution model is the risk of adding uncertainty due to the number of parameters.

The Use of Coarse Resolution Satellite Imagery to Predict Human Puumala Virus Epidemics in Sweden.

DTIC Science & Technology

1992-09-11

the adverse effects on NDVI data quality can occur in both the spatial and temporal dimension. In other words, a specific pixel value recorded in...are compared to the land-oriented systems.22 On the other hand, the very course spatial resolution has the advantage of greatly reducing the volume...necessary on the scale of individual fields, in which case LANDSAT-TM has higher spatial resolution ; and secondly, when specific

Seltzer_et_al_2016

EPA Pesticide Factsheets

This dataset supports the modeling study of Seltzer et al. (2016) published in Atmospheric Environment. In this study, techniques typically used for future air quality projections are applied to a historical 11-year period to assess the performance of the modeling system when the driving meteorological conditions are obtained using dynamical downscaling of coarse-scale fields without correcting toward higher resolution observations. The Weather Research and Forecasting model and the Community Multiscale Air Quality model are used to simulate regional climate and air quality over the contiguous United States for 2000-2010. The air quality simulations for that historical period are then compared to observations from four national networks. Comparisons are drawn between defined performance metrics and other published modeling results for predicted ozone, fine particulate matter, and speciated fine particulate matter. The results indicate that the historical air quality simulations driven by dynamically downscaled meteorology are typically within defined modeling performance benchmarks and are consistent with results from other published modeling studies using finer-resolution meteorology. This indicates that the regional climate and air quality modeling framework utilized here does not introduce substantial bias, which provides confidence in the method??s use for future air quality projections.This dataset is associated with the following publication:Seltzer, K., C

Weather Research and Forecasting Model Wind Sensitivity Study at Edwards Air Force Base, CA

NASA Technical Reports Server (NTRS)

Watson, Leela R.; Bauman, William H., III

2008-01-01

NASA prefers to land the space shuttle at Kennedy Space Center (KSC). When weather conditions violate Flight Rules at KSC, NASA will usually divert the shuttle landing to Edwards Air Force Base (EAFB) in Southern California. But forecasting surface winds at EAFB is a challenge for the Spaceflight Meteorology Group (SMG) forecasters due to the complex terrain that surrounds EAFB, One particular phenomena identified by SMG is that makes it difficult to forecast the EAFB surface winds is called "wind cycling". This occurs when wind speeds and directions oscillate among towers near the EAFB runway leading to a challenging deorbit bum forecast for shuttle landings. The large-scale numerical weather prediction models cannot properly resolve the wind field due to their coarse horizontal resolutions, so a properly tuned high-resolution mesoscale model is needed. The Weather Research and Forecasting (WRF) model meets this requirement. The AMU assessed the different WRF model options to determine which configuration best predicted surface wind speed and direction at EAFB, To do so, the AMU compared the WRF model performance using two hot start initializations with the Advanced Research WRF and Non-hydrostatic Mesoscale Model dynamical cores and compared model performance while varying the physics options.

In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force

NASA Astrophysics Data System (ADS)

Menichetti, Roberto; Kanekal, Kiran H.; Kremer, Kurt; Bereau, Tristan

2017-09-01

The partitioning of small molecules in cell membranes—a key parameter for pharmaceutical applications—typically relies on experimentally available bulk partitioning coefficients. Computer simulations provide a structural resolution of the insertion thermodynamics via the potential of mean force but require significant sampling at the atomistic level. Here, we introduce high-throughput coarse-grained molecular dynamics simulations to screen thermodynamic properties. This application of physics-based models in a large-scale study of small molecules establishes linear relationships between partitioning coefficients and key features of the potential of mean force. This allows us to predict the structure of the insertion from bulk experimental measurements for more than 400 000 compounds. The potential of mean force hereby becomes an easily accessible quantity—already recognized for its high predictability of certain properties, e.g., passive permeation. Further, we demonstrate how coarse graining helps reduce the size of chemical space, enabling a hierarchical approach to screening small molecules.

A framework for global river flood risk assessment

NASA Astrophysics Data System (ADS)

Winsemius, H. C.; Van Beek, L. P. H.; Bouwman, A.; Ward, P. J.; Jongman, B.

2012-04-01

There is an increasing need for strategic global assessments of flood risks. Such assessments may be required by: (a) International Financing Institutes and Disaster Management Agencies to evaluate where, when, and which investments in flood risk mitigation are most required; (b) (re-)insurers, who need to determine their required coverage capital; and (c) large companies to account for risks of regional investments. In this contribution, we propose a framework for global river flood risk assessment. The framework combines coarse scale resolution hazard probability distributions, derived from global hydrological model runs (typical scale about 0.5 degree resolution) with high resolution estimates of exposure indicators. The high resolution is required because floods typically occur at a much smaller scale than the typical resolution of global hydrological models, and exposure indicators such as population, land use and economic value generally are strongly variable in space and time. The framework therefore estimates hazard at a high resolution ( 1 km2) by using a) global forcing data sets of the current (or in scenario mode, future) climate; b) a global hydrological model; c) a global flood routing model, and d) importantly, a flood spatial downscaling routine. This results in probability distributions of annual flood extremes as an indicator of flood hazard, at the appropriate resolution. A second component of the framework combines the hazard probability distribution with classical flood impact models (e.g. damage, affected GDP, affected population) to establish indicators for flood risk. The framework can be applied with a large number of datasets and models and sensitivities of such choices can be evaluated by the user. The framework is applied using the global hydrological model PCR-GLOBWB, combined with a global flood routing model. Downscaling of the hazard probability distributions to 1 km2 resolution is performed with a new downscaling algorithm, applied on a number of target regions. We demonstrate the use of impact models in these regions based on global GDP, population, and land use maps. In this application, we show sensitivities of the estimated risks with regard to the use of different climate input datasets, decisions made in the downscaling algorithm, and different approaches to establish distributed estimates of GDP and asset exposure to flooding.

Sensitivity of chemical transport model simulations to the duration of chemical and transport operators: a case study with GEOS-Chem v10-01

NASA Astrophysics Data System (ADS)

Philip, S.; Martin, R. V.; Keller, C. A.

2015-11-01

Chemical transport models involve considerable computational expense. Fine temporal resolution offers accuracy at the expense of computation time. Assessment is needed of the sensitivity of simulation accuracy to the duration of chemical and transport operators. We conduct a series of simulations with the GEOS-Chem chemical transport model at different temporal and spatial resolutions to examine the sensitivity of simulated atmospheric composition to temporal resolution. Subsequently, we compare the tracers simulated with operator durations from 10 to 60 min as typically used by global chemical transport models, and identify the timesteps that optimize both computational expense and simulation accuracy. We found that longer transport timesteps increase concentrations of emitted species such as nitrogen oxides and carbon monoxide since a more homogeneous distribution reduces loss through chemical reactions and dry deposition. The increased concentrations of ozone precursors increase ozone production at longer transport timesteps. Longer chemical timesteps decrease sulfate and ammonium but increase nitrate due to feedbacks with in-cloud sulfur dioxide oxidation and aerosol thermodynamics. The simulation duration decreases by an order of magnitude from fine (5 min) to coarse (60 min) temporal resolution. We assess the change in simulation accuracy with resolution by comparing the root mean square difference in ground-level concentrations of nitrogen oxides, ozone, carbon monoxide and secondary inorganic aerosols with a finer temporal or spatial resolution taken as truth. Simulation error for these species increases by more than a factor of 5 from the shortest (5 min) to longest (60 min) temporal resolution. Chemical timesteps twice that of the transport timestep offer more simulation accuracy per unit computation. However, simulation error from coarser spatial resolution generally exceeds that from longer timesteps; e.g. degrading from 2° × 2.5° to 4° × 5° increases error by an order of magnitude. We recommend prioritizing fine spatial resolution before considering different temporal resolutions in offline chemical transport models. We encourage the chemical transport model users to specify in publications the durations of operators due to their effects on simulation accuracy.

Mapping day-of-burning with coarse-resolution satellite fire-detection data

Treesearch

Sean A. Parks

2014-01-01

Evaluating the influence of observed daily weather on observed fire-related effects (e.g. smoke production, carbon emissions and burn severity) often involves knowing exactly what day any given area has burned. As such, several studies have used fire progression maps ­ in which the perimeter of an actively burning fire is mapped at a fairly high temporal resolution -...

Resolving Properties of Polymers and Nanoparticle Assembly through Coarse-Grained Computational Studies.

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

Grest, Gary S.

2017-09-01

Coupled length and time scales determine the dynamic behavior of polymers and polymer nanocomposites and underlie their unique properties. To resolve the properties over large time and length scales it is imperative to develop coarse grained models which retain the atomistic specificity. Here we probe the degree of coarse graining required to simultaneously retain significant atomistic details a nd access large length and time scales. The degree of coarse graining in turn sets the minimum length scale instrumental in defining polymer properties and dynamics. Using polyethylene as a model system, we probe how the coarse - graining scale affects themore » measured dynamics with different number methylene group s per coarse - grained beads. Using these models we simulate polyethylene melts for times over 500 ms to study the viscoelastic properties of well - entangled polymer melts and large nanoparticle assembly as the nanoparticles are driven close enough to form nanostructures.« less

High resolution global flood hazard map from physically-based hydrologic and hydraulic models.

NASA Astrophysics Data System (ADS)

Begnudelli, L.; Kaheil, Y.; McCollum, J.

2017-12-01

The global flood map published online at http://www.fmglobal.com/research-and-resources/global-flood-map at 90m resolution is being used worldwide to understand flood risk exposure, exercise certain measures of mitigation, and/or transfer the residual risk financially through flood insurance programs. The modeling system is based on a physically-based hydrologic model to simulate river discharges, and 2D shallow-water hydrodynamic model to simulate inundation. The model can be applied to large-scale flood hazard mapping thanks to several solutions that maximize its efficiency and the use of parallel computing. The hydrologic component of the modeling system is the Hillslope River Routing (HRR) hydrologic model. HRR simulates hydrological processes using a Green-Ampt parameterization, and is calibrated against observed discharge data from several publicly-available datasets. For inundation mapping, we use a 2D Finite-Volume Shallow-Water model with wetting/drying. We introduce here a grid Up-Scaling Technique (UST) for hydraulic modeling to perform simulations at higher resolution at global scale with relatively short computational times. A 30m SRTM is now available worldwide along with higher accuracy and/or resolution local Digital Elevation Models (DEMs) in many countries and regions. UST consists of aggregating computational cells, thus forming a coarser grid, while retaining the topographic information from the original full-resolution mesh. The full-resolution topography is used for building relationships between volume and free surface elevation inside cells and computing inter-cell fluxes. This approach almost achieves computational speed typical of the coarse grids while preserving, to a significant extent, the accuracy offered by the much higher resolution available DEM. The simulations are carried out along each river of the network by forcing the hydraulic model with the streamflow hydrographs generated by HRR. Hydrographs are scaled so that the peak corresponds to the return period corresponding to the hazard map being produced (e.g. 100 years, 500 years). Each numerical simulation models one river reach, except for the longest reaches which are split in smaller parts. Here we show results for selected river basins worldwide.

A review of spatial downscaling of satellite remotely sensed soil moisture

NASA Astrophysics Data System (ADS)

Peng, Jian; Loew, Alexander; Merlin, Olivier; Verhoest, Niko E. C.

2017-06-01

Satellite remote sensing technology has been widely used to estimate surface soil moisture. Numerous efforts have been devoted to develop global soil moisture products. However, these global soil moisture products, normally retrieved from microwave remote sensing data, are typically not suitable for regional hydrological and agricultural applications such as irrigation management and flood predictions, due to their coarse spatial resolution. Therefore, various downscaling methods have been proposed to improve the coarse resolution soil moisture products. The purpose of this paper is to review existing methods for downscaling satellite remotely sensed soil moisture. These methods are assessed and compared in terms of their advantages and limitations. This review also provides the accuracy level of these methods based on published validation studies. In the final part, problems and future trends associated with these methods are analyzed.

Process-based model predictions of hurricane induced morphodynamic change on low-lying barrier islands

USGS Publications Warehouse

Plant, Nathaniel G.; Thompson, David M.; Elias, Edwin; Wang, Ping; Rosati, Julie D.; Roberts, Tiffany M.

2011-01-01

Using Delft3D, a Chandeleur Island model was constructed to examine the sediment-transport patterns and morphodynamic change caused by Hurricane Katrina and similar storm events. The model setup included a coarse Gulf of Mexico domain and a nested finer-resolution Chandeleur Island domain. The finer-resolution domain resolved morphodynamic processes driven by storms and tides. A sensitivity analysis of the simulated morphodynamic response was performed to investigate the effects of variations in surge levels. The Chandeleur morphodynamic model reproduced several important features that matched observed morphodynamic changes. A simulation of bathymetric change driven by storm surge alone (no waves) along the central portion of the Chandeleur Islands showed (1) a general landward retreat and lowering of the island chain and (2) multiple breaches that increased the degree of island dissection. The locations of many of the breaches correspond with the low-lying or narrow sections of the initial bathymetry. The major part of the morphological change occurred prior to the peak of the surge when overtopping of the islands produced a strong water-level gradient and induced significant flow velocities.

Uncertainties in estimates of mortality attributable to ambient PM2.5 in Europe

NASA Astrophysics Data System (ADS)

Kushta, Jonilda; Pozzer, Andrea; Lelieveld, Jos

2018-06-01

The assessment of health impacts associated with airborne particulate matter smaller than 2.5 μm in diameter (PM2.5) relies on aerosol concentrations derived either from monitoring networks, satellite observations, numerical models, or a combination thereof. When global chemistry-transport models are used for estimating PM2.5, their relatively coarse resolution has been implied to lead to underestimation of health impacts in densely populated and industrialized areas. In this study the role of spatial resolution and of vertical layering of a regional air quality model, used to compute PM2.5 impacts on public health and mortality, is investigated. We utilize grid spacings of 100 km and 20 km to calculate annual mean PM2.5 concentrations over Europe, which are in turn applied to the estimation of premature mortality by cardiovascular and respiratory diseases. Using model results at a 100 km grid resolution yields about 535 000 annual premature deaths over the extended European domain (242 000 within the EU-28), while numbers approximately 2.4% higher are derived by using the 20 km resolution. Using the surface (i.e. lowest) layer of the model for PM2.5 yields about 0.6% higher mortality rates compared with PM2.5 averaged over the first 200 m above ground. Further, the calculation of relative risks (RR) from PM2.5, using 0.1 μg m‑3 size resolution bins compared to the commonly used 1 μg m‑3, is associated with ±0.8% uncertainty in estimated deaths. We conclude that model uncertainties contribute a small part of the overall uncertainty expressed by the 95% confidence intervals, which are of the order of ±30%, mostly related to the RR calculations based on epidemiological data.

Reduction of uncertainty in global black carbon direct radiative forcing constrained by observations

NASA Astrophysics Data System (ADS)

Wang, R.; Balkanski, Y.; Boucher, O.; Ciais, P.; Schuster, G. L.; Chevallier, F.; Samset, B. H.; Valari, M.; Liu, J.; Tao, S.

2017-12-01

Black carbon (BC) absorbs sunlight and contributes to global warming. However, the size of this effect, namely the direct radiative forcing (DRF), ranges from +0.1 to +1.0 W m-2, largely due to discrepancies between modeled and observed BC radiation absorption. Studies that adjusted emissions to correct biases of models resulted in a revised upward estimate of the BC DRF. However, the observation-based BC RF was not optimized against observations in a rigorous mathematical manner, because uncertainties in emissions and the representativeness errors due to use of coarse-resolution models were not fully assessed. Here we simulated the absorption of solar radiation by BC from all sources at the 10-km resolution by combining a nested aerosol model with a downscaling method. The normalized mean bias in BC radiation absorption was reduced from -51% to -24% in Asia and from -57% to -50% elsewhere. We applied a Bayesian method that account for model, representativeness and observational uncertainties to estimate the BC RF and its uncertainty. Using the high-resolution model reduces uncertainty in BC DRF from -101%/+152% to -70%/+71% over Asia and from -83%/+108% to -64%/+68% over other continental regions. We derived an observation-based BC DRF of 0.61 Wm-2 (0.16 to 1.40 as 90% confidence) as our best estimate.

An Improved GRACE Terrestrial Water Storage Assimilation System For Estimating Large-Scale Soil Moisture and Shallow Groundwater

NASA Astrophysics Data System (ADS)

Girotto, M.; De Lannoy, G. J. M.; Reichle, R. H.; Rodell, M.

2015-12-01

The Gravity Recovery And Climate Experiment (GRACE) mission is unique because it provides highly accurate column integrated estimates of terrestrial water storage (TWS) variations. Major limitations of GRACE-based TWS observations are related to their monthly temporal and coarse spatial resolution (around 330 km at the equator), and to the vertical integration of the water storage components. These challenges can be addressed through data assimilation. To date, it is still not obvious how best to assimilate GRACE-TWS observations into a land surface model, in order to improve hydrological variables, and many details have yet to be worked out. This presentation discusses specific recent features of the assimilation of gridded GRACE-TWS data into the NASA Goddard Earth Observing System (GEOS-5) Catchment land surface model to improve soil moisture and shallow groundwater estimates at the continental scale. The major recent advancements introduced by the presented work with respect to earlier systems include: 1) the assimilation of gridded GRACE-TWS data product with scaling factors that are specifically derived for data assimilation purposes only; 2) the assimilation is performed through a 3D assimilation scheme, in which reasonable spatial and temporal error standard deviations and correlations are exploited; 3) the analysis step uses an optimized calculation and application of the analysis increments; 4) a poor-man's adaptive estimation of a spatially variable measurement error. This work shows that even if they are characterized by a coarse spatial and temporal resolution, the observed column integrated GRACE-TWS data have potential for improving our understanding of soil moisture and shallow groundwater variations.

Fine-Resolution Modeling of the Santa Cruz and San Pedro River Basins for Climate Change and Riparian System Studies

NASA Astrophysics Data System (ADS)

Robles-Morua, A.; Vivoni, E. R.; Volo, T. J.; Rivera, E. R.; Dominguez, F.; Meixner, T.

2011-12-01

This project is part of a multidisciplinary effort aimed at understanding the impacts of climate variability and change on the ecological services provided by riparian ecosystems in semiarid watersheds of the southwestern United States. Valuing the environmental and recreational services provided by these ecosystems in the future requires a numerical simulation approach to estimate streamflow in ungauged tributaries as well as diffuse and direct recharge to groundwater basins. In this work, we utilize a distributed hydrologic model known as the TIN-based Real-time Integrated Basin Simulator (tRIBS) in the upper Santa Cruz and San Pedro basins with the goal of generating simulated hydrological fields that will be coupled to a riparian groundwater model. With the distributed model, we will evaluate a set of climate change and population scenarios to quantify future conditions in these two river systems and their impacts on flood peaks, recharge events and low flows. Here, we present a model confidence building exercise based on high performance computing (HPC) runs of the tRIBS model in both basins during the period of 1990-2000. Distributed model simulations utilize best-available data across the US-Mexico border on topography, land cover and soils obtained from analysis of remotely-sensed imagery and government databases. Meteorological forcing over the historical period is obtained from a combination of sparse ground networks and weather radar rainfall estimates. We then focus on a comparison between simulation runs using ground-based forcing to cases where the Weather Research Forecast (WRF) model is used to specify the historical conditions. Two spatial resolutions are considered from the WRF model fields - a coarse (35-km) and a downscaled (10- km) forcing. Comparisons will focus on the distribution of precipitation, soil moisture, runoff generation and recharge and assess the value of the WRF coarse and downscaled products. These results provide confidence in the model application and a measure of modeling uncertainty that will help set the foundation for forthcoming climate change studies.

Francis-99 turbine numerical flow simulation of steady state operation using RANS and RANS/LES turbulence model

NASA Astrophysics Data System (ADS)

Minakov, A.; Platonov, D.; Sentyabov, A.; Gavrilov, A.

2017-01-01

We performed numerical simulation of flow in a laboratory model of a Francis hydroturbine at three regimes, using two eddy-viscosity- (EVM) and a Reynolds stress (RSM) RANS models (realizable k-ɛ, k-ω SST, LRR) and detached-eddy-simulations (DES), as well as large-eddy simulations (LES). Comparison of calculation results with the experimental data was carried out. Unlike the linear EVMs, the RSM, DES, and LES reproduced well the mean velocity components, and pressure pulsations in the diffusor draft tube. Despite relatively coarse meshes and insufficient resolution of the near-wall region, LES, DES also reproduced well the intrinsic flow unsteadiness and the dominant flow structures and the associated pressure pulsations in the draft tube.

Role of translational entropy in spatially inhomogeneous, coarse-grained models

NASA Astrophysics Data System (ADS)

Langenberg, Marcel; Jackson, Nicholas E.; de Pablo, Juan J.; Müller, Marcus

2018-03-01

Coarse-grained models of polymer and biomolecular systems have enabled the computational study of cooperative phenomena, e.g., self-assembly, by lumping multiple atomistic degrees of freedom along the backbone of a polymer, lipid, or DNA molecule into one effective coarse-grained interaction center. Such a coarse-graining strategy leaves the number of molecules unaltered. In order to treat the surrounding solvent or counterions on the same coarse-grained level of description, one can also stochastically group several of those small molecules into an effective, coarse-grained solvent bead or "fluid element." Such a procedure reduces the number of molecules, and we discuss how to compensate the concomitant loss of translational entropy by density-dependent interactions in spatially inhomogeneous systems.

Coarse graining for synchronization in directed networks

NASA Astrophysics Data System (ADS)

Zeng, An; Lü, Linyuan

2011-05-01

Coarse-graining model is a promising way to analyze and visualize large-scale networks. The coarse-grained networks are required to preserve statistical properties as well as the dynamic behaviors of the initial networks. Some methods have been proposed and found effective in undirected networks, while the study on coarse-graining directed networks lacks of consideration. In this paper we proposed a path-based coarse-graining (PCG) method to coarse grain the directed networks. Performing the linear stability analysis of synchronization and numerical simulation of the Kuramoto model on four kinds of directed networks, including tree networks and variants of Barabási-Albert networks, Watts-Strogatz networks, and Erdös-Rényi networks, we find our method can effectively preserve the network synchronizability.

Optical techniques: using coarse and detailed scans for the preventive acquisition of fingerprints with chromatic white-light sensors

NASA Astrophysics Data System (ADS)

Hildebrandt, Mario; Dittmann, Jana; Vielhauer, Claus; Leich, Marcus

2011-11-01

The preventive application of automated latent fingerprint acquisition devices can enhance the Homeland Defence, e.g. by improving the border security. Here, contact-less optical acquisition techniques for the capture of traces are subject to research; chromatic white light sensors allow for multi-mode operation using coarse or detailed scans. The presence of potential fingerprints could be detected using fast coarse scans. Those Regions-of- Interest can be acquired afterwards with high-resolution detailed scans to allow for a verification or identification of individuals. An acquisition and analysis of fingerprint traces on different objects that are imported or pass borders might be a great enhancement for security. Additionally, if suspicious objects require a further investigation, an initial securing of potential fingerprints could be very useful. In this paper we show current research results for the coarse detection of fingerprints to prepare the detailed acquisition from various surface materials that are relevant for preventive applications.

Stepping inside the niche: microclimate data are critical for accurate assessment of species' vulnerability to climate change

PubMed Central

Storlie, Collin; Merino-Viteri, Andres; Phillips, Ben; VanDerWal, Jeremy; Welbergen, Justin; Williams, Stephen

2014-01-01

To assess a species' vulnerability to climate change, we commonly use mapped environmental data that are coarsely resolved in time and space. Coarsely resolved temperature data are typically inaccurate at predicting temperatures in microhabitats used by an organism and may also exhibit spatial bias in topographically complex areas. One consequence of these inaccuracies is that coarsely resolved layers may predict thermal regimes at a site that exceed species' known thermal limits. In this study, we use statistical downscaling to account for environmental factors and develop high-resolution estimates of daily maximum temperatures for a 36 000 km2 study area over a 38-year period. We then demonstrate that this statistical downscaling provides temperature estimates that consistently place focal species within their fundamental thermal niche, whereas coarsely resolved layers do not. Our results highlight the need for incorporation of fine-scale weather data into species' vulnerability analyses and demonstrate that a statistical downscaling approach can yield biologically relevant estimates of thermal regimes. PMID:25252835

A new technique for online measurement of total and water-soluble copper (Cu) in coarse particulate matter (PM).

PubMed

Wang, Dongbin; Shafer, Martin M; Schauer, James J; Sioutas, Constantinos

2015-04-01

This study presents a novel system for online, field measurement of copper (Cu) in ambient coarse (2.5-10 μm) particulate matter (PM). This new system utilizes two virtual impactors combined with a modified liquid impinger (BioSampler) to collect coarse PM directly as concentrated slurry samples. The total and water-soluble Cu concentrations are subsequently measured by a copper Ion Selective Electrode (ISE). Laboratory evaluation results indicated excellent collection efficiency (over 85%) for particles in the coarse PM size ranges. In the field evaluations, very good agreements for both total and water-soluble Cu concentrations were obtained between online ISE-based monitor measurements and those analyzed by means of inductively coupled plasma mass spectrometry (ICP-MS). Moreover, the field tests indicated that the Cu monitor could achieve near-continuous operation for at least 6 consecutive days (a time resolution of 2-4 h) without obvious shortcomings. Copyright © 2015 Elsevier Ltd. All rights reserved.

Large Scale Flood Risk Analysis using a New Hyper-resolution Population Dataset

NASA Astrophysics Data System (ADS)

Smith, A.; Neal, J. C.; Bates, P. D.; Quinn, N.; Wing, O.

2017-12-01

Here we present the first national scale flood risk analyses, using high resolution Facebook Connectivity Lab population data and data from a hyper resolution flood hazard model. In recent years the field of large scale hydraulic modelling has been transformed by new remotely sensed datasets, improved process representation, highly efficient flow algorithms and increases in computational power. These developments have allowed flood risk analysis to be undertaken in previously unmodeled territories and from continental to global scales. Flood risk analyses are typically conducted via the integration of modelled water depths with an exposure dataset. Over large scales and in data poor areas, these exposure data typically take the form of a gridded population dataset, estimating population density using remotely sensed data and/or locally available census data. The local nature of flooding dictates that for robust flood risk analysis to be undertaken both hazard and exposure data should sufficiently resolve local scale features. Global flood frameworks are enabling flood hazard data to produced at 90m resolution, resulting in a mis-match with available population datasets which are typically more coarsely resolved. Moreover, these exposure data are typically focused on urban areas and struggle to represent rural populations. In this study we integrate a new population dataset with a global flood hazard model. The population dataset was produced by the Connectivity Lab at Facebook, providing gridded population data at 5m resolution, representing a resolution increase over previous countrywide data sets of multiple orders of magnitude. Flood risk analysis undertaken over a number of developing countries are presented, along with a comparison of flood risk analyses undertaken using pre-existing population datasets.

Estimation of Actual Crop ET of Paddy Using the Energy Balance Model SMARET and Validation with Field Water Balance Measurements and a Crop Growth Model (ORYZA)

NASA Astrophysics Data System (ADS)

Nallasamy, N. D.; Muraleedharan, B. V.; Kathirvel, K.; Narasimhan, B.

2014-12-01

Sustainable management of water resources requires reliable estimates of actual evapotranspiration (ET) at fine spatial and temporal resolution. This is significant in the case of rice based irrigation systems, one of the major consumers of surface water resources and where ET forms a major component of water consumption. However huge tradeoff in the spatial and temporal resolution of satellite images coupled with lack of adequate number of cloud free images within a growing season act as major constraints in deriving ET at fine spatial and temporal resolution using remote sensing based energy balance models. The scale at which ET is determined is decided by the spatial and temporal scale of Land Surface Temperature (LST) and Normalized Difference Vegetation Index (NDVI), which form inputs to energy balance models. In this context, the current study employed disaggregation algorithms (NL-DisTrad and DisNDVI) to generate time series of LST and NDVI images at fine resolution. The disaggregation algorithms aimed at generating LST and NDVI at finer scale by integrating temporal information from concurrent coarse resolution data and spatial information from a single fine resolution image. The temporal frequency of the disaggregated images is further improved by employing composite images of NDVI and LST in the spatio-temporal disaggregation method. The study further employed half-hourly incoming surface insolation and outgoing long wave radiation obtained from the Indian geostationary satellite (Kalpana-1) to convert the instantaneous ET into daily ET and subsequently to the seasonal ET, thereby improving the accuracy of ET estimates. The estimates of ET were validated with field based water balance measurements carried out in Gadana, a subbasin predominated by rice paddy fields, located in Tamil Nadu, India.

SoilGrids250m: Global gridded soil information based on machine learning

PubMed Central

Mendes de Jesus, Jorge; Heuvelink, Gerard B. M.; Ruiperez Gonzalez, Maria; Kilibarda, Milan; Blagotić, Aleksandar; Shangguan, Wei; Wright, Marvin N.; Geng, Xiaoyuan; Bauer-Marschallinger, Bernhard; Guevara, Mario Antonio; Vargas, Rodrigo; MacMillan, Robert A.; Batjes, Niels H.; Leenaars, Johan G. B.; Ribeiro, Eloi; Wheeler, Ichsani; Mantel, Stephan; Kempen, Bas

2017-01-01

This paper describes the technical development and accuracy assessment of the most recent and improved version of the SoilGrids system at 250m resolution (June 2016 update). SoilGrids provides global predictions for standard numeric soil properties (organic carbon, bulk density, Cation Exchange Capacity (CEC), pH, soil texture fractions and coarse fragments) at seven standard depths (0, 5, 15, 30, 60, 100 and 200 cm), in addition to predictions of depth to bedrock and distribution of soil classes based on the World Reference Base (WRB) and USDA classification systems (ca. 280 raster layers in total). Predictions were based on ca. 150,000 soil profiles used for training and a stack of 158 remote sensing-based soil covariates (primarily derived from MODIS land products, SRTM DEM derivatives, climatic images and global landform and lithology maps), which were used to fit an ensemble of machine learning methods—random forest and gradient boosting and/or multinomial logistic regression—as implemented in the R packages ranger, xgboost, nnet and caret. The results of 10–fold cross-validation show that the ensemble models explain between 56% (coarse fragments) and 83% (pH) of variation with an overall average of 61%. Improvements in the relative accuracy considering the amount of variation explained, in comparison to the previous version of SoilGrids at 1 km spatial resolution, range from 60 to 230%. Improvements can be attributed to: (1) the use of machine learning instead of linear regression, (2) to considerable investments in preparing finer resolution covariate layers and (3) to insertion of additional soil profiles. Further development of SoilGrids could include refinement of methods to incorporate input uncertainties and derivation of posterior probability distributions (per pixel), and further automation of spatial modeling so that soil maps can be generated for potentially hundreds of soil variables. Another area of future research is the development of methods for multiscale merging of SoilGrids predictions with local and/or national gridded soil products (e.g. up to 50 m spatial resolution) so that increasingly more accurate, complete and consistent global soil information can be produced. SoilGrids are available under the Open Data Base License. PMID:28207752

A Near-Annual Record of Hurricane Activity From the Little Bahama Bank Over the Last 700 Years

NASA Astrophysics Data System (ADS)

Winkler, T. S.; van Hengstum, P. J.; Donnelly, J. P.; Sullivan, R.; Albury, N. A.

2016-12-01

Long-term and high-resolution records of hurricane activity that extend past the short observational record (<150 years) can help inform the drivers of regional hurricane activity. Blueholes in the tropical North Atlantic often provide oxygen limited environments that promote excellent sediment preservation through time, recording coarse-grained hurricane overwash deposits. Here we further develop a previous hurricane reconstruction from Thatchpoint Bluehole on Abaco Island using additional >8m vibracores collected with a Rossfelder P-3. The previous core analyzed (TPBH-C1, Continental Shelf Research, 2014) was likely obtained from the cave-area of the bluehole, and previous radiocarbon-dated bivalves deeper in the core were likely impacted by an old-carbon effect, casting doubt on the veracity of the previous age-model at this site. Recent overwash beds from Hurricane Jeanne (2004) and Hurricane Floyd (1999) are present at all coretops, and additional radiocarbon dating that includes terrestrial organic matter fragments indicates a near-annual sedimentation rate in the bluehole (>1cm yr-1), with the record spanning the last 700 years. Since 1866 CE, 12 hurricanes with wind speeds exceeding Category 2 on the Saffir-Simpson Scale (wind speeds 154-177 km hr-1) have passed within a 50 km radius of TPBH, many of which can be associated with coarse-grained overwash deposits in the top 200 cm of TPBH-C3. It appears from this high-resolution record that 1500-1650 CE and 1750-1800 CE were active intervals for hurricanes near Abaco, which were previously identified in a lower-resolution (multi-decadal) hurricane reconstruction from Abaco (Blackwood Sinkhole). Additionally, these active intervals coincide with evidence of regional storminess from multiple reconstructions based on historical archives (e.g.: Archivo General de Indias, newspapers, ships' logbooks, meteorological journals), and the 1500-1650 CE active interval falls within a previously identified 1400-1675 CE active interval of intense hurricane strikes on the Northeastern United States. Once the age-model is finalized, further comparison of this record to other regional oceanographic and high-resolution hurricane reconstructions may provide further insight into the drivers of hurricane activity during the last millennium.

SoilGrids250m: Global gridded soil information based on machine learning.

PubMed

Hengl, Tomislav; Mendes de Jesus, Jorge; Heuvelink, Gerard B M; Ruiperez Gonzalez, Maria; Kilibarda, Milan; Blagotić, Aleksandar; Shangguan, Wei; Wright, Marvin N; Geng, Xiaoyuan; Bauer-Marschallinger, Bernhard; Guevara, Mario Antonio; Vargas, Rodrigo; MacMillan, Robert A; Batjes, Niels H; Leenaars, Johan G B; Ribeiro, Eloi; Wheeler, Ichsani; Mantel, Stephan; Kempen, Bas

2017-01-01

This paper describes the technical development and accuracy assessment of the most recent and improved version of the SoilGrids system at 250m resolution (June 2016 update). SoilGrids provides global predictions for standard numeric soil properties (organic carbon, bulk density, Cation Exchange Capacity (CEC), pH, soil texture fractions and coarse fragments) at seven standard depths (0, 5, 15, 30, 60, 100 and 200 cm), in addition to predictions of depth to bedrock and distribution of soil classes based on the World Reference Base (WRB) and USDA classification systems (ca. 280 raster layers in total). Predictions were based on ca. 150,000 soil profiles used for training and a stack of 158 remote sensing-based soil covariates (primarily derived from MODIS land products, SRTM DEM derivatives, climatic images and global landform and lithology maps), which were used to fit an ensemble of machine learning methods-random forest and gradient boosting and/or multinomial logistic regression-as implemented in the R packages ranger, xgboost, nnet and caret. The results of 10-fold cross-validation show that the ensemble models explain between 56% (coarse fragments) and 83% (pH) of variation with an overall average of 61%. Improvements in the relative accuracy considering the amount of variation explained, in comparison to the previous version of SoilGrids at 1 km spatial resolution, range from 60 to 230%. Improvements can be attributed to: (1) the use of machine learning instead of linear regression, (2) to considerable investments in preparing finer resolution covariate layers and (3) to insertion of additional soil profiles. Further development of SoilGrids could include refinement of methods to incorporate input uncertainties and derivation of posterior probability distributions (per pixel), and further automation of spatial modeling so that soil maps can be generated for potentially hundreds of soil variables. Another area of future research is the development of methods for multiscale merging of SoilGrids predictions with local and/or national gridded soil products (e.g. up to 50 m spatial resolution) so that increasingly more accurate, complete and consistent global soil information can be produced. SoilGrids are available under the Open Data Base License.

A variable resolution nonhydrostatic global atmospheric semi-implicit semi-Lagrangian model

NASA Astrophysics Data System (ADS)

Pouliot, George Antoine

2000-10-01

The objective of this project is to develop a variable-resolution finite difference adiabatic global nonhydrostatic semi-implicit semi-Lagrangian (SISL) model based on the fully compressible nonhydrostatic atmospheric equations. To achieve this goal, a three-dimensional variable resolution dynamical core was developed and tested. The main characteristics of the dynamical core can be summarized as follows: Spherical coordinates were used in a global domain. A hydrostatic/nonhydrostatic switch was incorporated into the dynamical equations to use the fully compressible atmospheric equations. A generalized horizontal variable resolution grid was developed and incorporated into the model. For a variable resolution grid, in contrast to a uniform resolution grid, the order of accuracy of finite difference approximations is formally lost but remains close to the order of accuracy associated with the uniform resolution grid provided the grid stretching is not too significant. The SISL numerical scheme was implemented for the fully compressible set of equations. In addition, the generalized minimum residual (GMRES) method with restart and preconditioner was used to solve the three-dimensional elliptic equation derived from the discretized system of equations. The three-dimensional momentum equation was integrated in vector-form to incorporate the metric terms in the calculations of the trajectories. Using global re-analysis data for a specific test case, the model was compared to similar SISL models previously developed. Reasonable agreement between the model and the other independently developed models was obtained. The Held-Suarez test for dynamical cores was used for a long integration and the model was successfully integrated for up to 1200 days. Idealized topography was used to test the variable resolution component of the model. Nonhydrostatic effects were simulated at grid spacings of 400 meters with idealized topography and uniform flow. Using a high-resolution topographic data set and the variable resolution grid, sets of experiments with increasing resolution were performed over specific regions of interest. Using realistic initial conditions derived from re-analysis fields, nonhydrostatic effects were significant for grid spacings on the order of 0.1 degrees with orographic forcing. If the model code was adapted for use in a message passing interface (MPI) on a parallel supercomputer today, it was estimated that a global grid spacing of 0.1 degrees would be achievable for a global model. In this case, nonhydrostatic effects would be significant for most areas. A variable resolution grid in a global model provides a unified and flexible approach to many climate and numerical weather prediction problems. The ability to configure the model from very fine to very coarse resolutions allows for the simulation of atmospheric phenomena at different scales using the same code. We have developed a dynamical core illustrating the feasibility of using a variable resolution in a global model.

A new Downscaling Approach for SMAP, SMOS and ASCAT by predicting sub-grid Soil Moisture Variability based on Soil Texture

NASA Astrophysics Data System (ADS)

Montzka, C.; Rötzer, K.; Bogena, H. R.; Vereecken, H.

2017-12-01

Improving the coarse spatial resolution of global soil moisture products from SMOS, SMAP and ASCAT is currently an up-to-date topic. Soil texture heterogeneity is known to be one of the main sources of soil moisture spatial variability. A method has been developed that predicts the soil moisture standard deviation as a function of the mean soil moisture based on soil texture information. It is a closed-form expression using stochastic analysis of 1D unsaturated gravitational flow in an infinitely long vertical profile based on the Mualem-van Genuchten model and first-order Taylor expansions. With the recent development of high resolution maps of basic soil properties such as soil texture and bulk density, relevant information to estimate soil moisture variability within a satellite product grid cell is available. Here, we predict for each SMOS, SMAP and ASCAT grid cell the sub-grid soil moisture variability based on the SoilGrids1km data set. We provide a look-up table that indicates the soil moisture standard deviation for any given soil moisture mean. The resulting data set provides important information for downscaling coarse soil moisture observations of the SMOS, SMAP and ASCAT missions. Downscaling SMAP data by a field capacity proxy indicates adequate accuracy of the sub-grid soil moisture patterns.

Using speech sounds to test functional spectral resolution in listeners with cochlear implants

PubMed Central

Winn, Matthew B.; Litovsky, Ruth Y.

2015-01-01

In this study, spectral properties of speech sounds were used to test functional spectral resolution in people who use cochlear implants (CIs). Specifically, perception of the /ba/-/da/ contrast was tested using two spectral cues: Formant transitions (a fine-resolution cue) and spectral tilt (a coarse-resolution cue). Higher weighting of the formant cues was used as an index of better spectral cue perception. Participants included 19 CI listeners and 10 listeners with normal hearing (NH), for whom spectral resolution was explicitly controlled using a noise vocoder with variable carrier filter widths to simulate electrical current spread. Perceptual weighting of the two cues was modeled with mixed-effects logistic regression, and was found to systematically vary with spectral resolution. The use of formant cues was greatest for NH listeners for unprocessed speech, and declined in the two vocoded conditions. Compared to NH listeners, CI listeners relied less on formant transitions, and more on spectral tilt. Cue-weighting results showed moderately good correspondence with word recognition scores. The current approach to testing functional spectral resolution uses auditory cues that are known to be important for speech categorization, and can thus potentially serve as the basis upon which CI processing strategies and innovations are tested. PMID:25786954

An expanded role for river networks

Treesearch

Jonathan P. Benstead; David S. Leigh

2012-01-01

Estimates of stream and river area have relied on observations at coarse resolution. Consideration of the smallest and most dynamic streams could reveal a greater role for river networks in global biogeochemical cycling than previously thought.

BIOMAP A Daily Time Step, Mechanistic Model for the Study of Ecosystem Dynamics

NASA Astrophysics Data System (ADS)

Wells, J. R.; Neilson, R. P.; Drapek, R. J.; Pitts, B. S.

2010-12-01

BIOMAP simulates competition between two Plant Functional Types (PFT) at any given point in the conterminous U.S. using a time series of daily temperature (mean, minimum, maximum), precipitation, humidity, light and nutrients, with PFT-specific rooting within a multi-layer soil. The model employs a 2-layer canopy biophysics, Farquhar photosynthesis, the Beer-Lambert Law for light attenuation and a mechanistic soil hydrology. In essence, BIOMAP is a re-built version of the biogeochemistry model, BIOME-BGC, into the form of the MAPSS biogeography model. Specific enhancements are: 1) the 2-layer canopy biophysics of Dolman (1993); 2) the unique MAPSS-based hydrology, which incorporates canopy evaporation, snow dynamics, infiltration and saturated and unsaturated percolation with ‘fast’ flow and base flow and a ‘tunable aquifer’ capacity, a metaphor of D’Arcy’s Law; and, 3) a unique MAPSS-based stomatal conductance algorithm, which simultaneously incorporates vapor pressure and soil water potential constraints, based on physiological information and many other improvements. Over small domains the PFTs can be parameterized as individual species to investigate fundamental vs. potential niche theory; while, at more coarse scales the PFTs can be rendered as more general functional groups. Since all of the model processes are intrinsically leaf to plot scale (physiology to PFT competition), it essentially has no ‘intrinsic’ scale and can be implemented on a grid of any size, taking on the characteristics defined by the homogeneous climate of each grid cell. Currently, the model is implemented on the VEMAP 1/2 degree, daily grid over the conterminous U.S. Although both the thermal and water-limited ecotones are dynamic, following climate variability, the PFT distributions remain fixed. Thus, the model is currently being fitted with a ‘reproduction niche’ to allow full dynamic operation as a Dynamic General Vegetation Model (DGVM). While global simulations of both climate and ecosystems must be done at coarse grid resolutions; smaller domains require higher resolution for the simulation of natural resource processes at the landscape scale and that of on-the-ground management practices. Via a combined multi-agency and private conservation effort we have implemented a Nested Scale Experiment (NeScE) that ranges from 1/2 degree resolution (global, ca. 50 km) to ca. 8km (North America) and 800 m (conterminous U.S.). Our first DGVM, MC1, has been implemented at all 3 scales. We are just beginning to implement BIOMAP into NeScE, with its unique features, and daily time step, as a counterpoint to MC1. We believe it will be more accurate at all resolutions providing better simulations of vegetation distribution, carbon balance, runoff, fire regimes and drought impacts.

Downscaling SMAP Radiometer Soil Moisture over the CONUS using Soil-Climate Information and Ensemble Learning

NASA Astrophysics Data System (ADS)

Abbaszadeh, P.; Moradkhani, H.

2017-12-01

Soil moisture contributes significantly towards the improvement of weather and climate forecast and understanding terrestrial ecosystem processes. It is known as a key hydrologic variable in the agricultural drought monitoring, flood modeling and irrigation management. While satellite retrievals can provide an unprecedented information on soil moisture at global-scale, the products are generally at coarse spatial resolutions (25-50 km2). This often hampers their use in regional or local studies, which normally require a finer resolution of the data set. This work presents a new framework based on an ensemble learning method while using soil-climate information derived from remote-sensing and ground-based observations to downscale the level 3 daily composite version (L3_SM_P) of SMAP radiometer soil moisture over the Continental U.S. (CONUS) at 1 km spatial resolution. In the proposed method, a suite of remotely sensed and in situ data sets in addition to soil texture information and topography data among others were used. The downscaled product was validated against in situ soil moisture measurements collected from a limited number of core validation sites and several hundred sparse soil moisture networks throughout the CONUS. The obtained results indicated a great potential of the proposed methodology to derive the fine resolution soil moisture information applicable for fine resolution hydrologic modeling, data assimilation and other regional studies.

Effects of the Forecasting Methods, Precipitation Character, and Satellite Resolution on the Predictability of Short-Term Quantitative Precipitation Nowcasting (QPN) from a Geostationary Satellite.

PubMed

Liu, Yu; Xi, Du-Gang; Li, Zhao-Liang; Ji, Wei

2015-01-01

The prediction of the short-term quantitative precipitation nowcasting (QPN) from consecutive gestational satellite images has important implications for hydro-meteorological modeling and forecasting. However, the systematic analysis of the predictability of QPN is limited. The objective of this study is to evaluate effects of the forecasting model, precipitation character, and satellite resolution on the predictability of QPN using images of a Chinese geostationary meteorological satellite Fengyun-2F (FY-2F) which covered all intensive observation since its launch despite of only a total of approximately 10 days. In the first step, three methods were compared to evaluate the performance of the QPN methods: a pixel-based QPN using the maximum correlation method (PMC); the Horn-Schunck optical-flow scheme (PHS); and the Pyramid Lucas-Kanade Optical Flow method (PPLK), which is newly proposed here. Subsequently, the effect of the precipitation systems was indicated by 2338 imageries of 8 precipitation periods. Then, the resolution dependence was demonstrated by analyzing the QPN with six spatial resolutions (0.1atial, 0.3a, 0.4atial rand 0.6). The results show that the PPLK improves the predictability of QPN with better performance than the other comparison methods. The predictability of the QPN is significantly determined by the precipitation system, and a coarse spatial resolution of the satellite reduces the predictability of QPN.

Effects of the Forecasting Methods, Precipitation Character, and Satellite Resolution on the Predictability of Short-Term Quantitative Precipitation Nowcasting (QPN) from a Geostationary Satellite

PubMed Central

Liu, Yu; Xi, Du-Gang; Li, Zhao-Liang; Ji, Wei

2015-01-01

The prediction of the short-term quantitative precipitation nowcasting (QPN) from consecutive gestational satellite images has important implications for hydro-meteorological modeling and forecasting. However, the systematic analysis of the predictability of QPN is limited. The objective of this study is to evaluate effects of the forecasting model, precipitation character, and satellite resolution on the predictability of QPN usingimages of a Chinese geostationary meteorological satellite Fengyun-2F (FY-2F) which covered all intensive observation since its launch despite of only a total of approximately 10 days. In the first step, three methods were compared to evaluate the performance of the QPN methods: a pixel-based QPN using the maximum correlation method (PMC); the Horn-Schunck optical-flow scheme (PHS); and the Pyramid Lucas-Kanade Optical Flow method (PPLK), which is newly proposed here. Subsequently, the effect of the precipitation systems was indicated by 2338 imageries of 8 precipitation periods. Then, the resolution dependence was demonstrated by analyzing the QPN with six spatial resolutions (0.1atial, 0.3a, 0.4atial rand 0.6). The results show that the PPLK improves the predictability of QPN with better performance than the other comparison methods. The predictability of the QPN is significantly determined by the precipitation system, and a coarse spatial resolution of the satellite reduces the predictability of QPN. PMID:26447470

A subtropical fate awaited freshwater discharged from glacial Lake Agassiz

DOE PAGES

Condron, Alan; Winsor, Peter

2011-02-10

The 8.2 kyr event is the largest abrupt climatic change recorded in the last 10,000 years, and is widely hypothesized to have been triggered by the release of thousands of kilometers cubed of freshwater into the North Atlantic Ocean. Using a high-resolution (1/6°) global, ocean-ice circulation model we present an alternative view that freshwater discharged from glacial Lake Agassiz would have remained on the continental shelf as a narrow, buoyant, coastal current, and would have been transported south into the subtropical North Atlantic. The pathway we describe is in contrast to the conceptual idea that freshwater from this lake outburstmore » spread over most of the sub-polar North Atlantic, and covered the deep, open-ocean, convection regions. This coastally confined freshwater pathway is consistent with the present-day routing of freshwater from Hudson Bay, as well as paleoceanographic evidence of this event. In this study, using a coarse-resolution (2.6°) version of the same model, we demonstrate that the previously reported spreading of freshwater across the sub-polar North Atlantic results from the inability of numerical models of this resolution to accurately resolve narrow coastal flows, producing instead a diffuse circulation that advects freshwater away from the boundaries. To understand the climatic impact of freshwater released in the past or future (e.g. Greenland and Antarctica), the ocean needs to be modeled at a resolution sufficient to resolve the dynamics of narrow, coastal buoyant flows.« less

Production of Landsat ETM+ reference imagery of burned areas within Southern African savannahs: comparison of methods and application to MODIS

Treesearch

A. M. S. Smith; N. A. Drake; M. J. Wooster; A. T. Hudak; Z. A. Holden; C. J. Gibbons

2007-01-01

Accurate production of regional burned area maps are necessary to reduce uncertainty in emission estimates from African savannah fires. Numerous methods have been developed that map burned and unburned surfaces. These methods are typically applied to coarse spatial resolution (1 km) data to produce regional estimates of the area burned, while higher spatial resolution...

Geophysical characterization of areas prone to quick-clay landslides using radio-magnetotelluric and seismic methods

NASA Astrophysics Data System (ADS)

Wang, Shunguo; Malehmir, Alireza; Bastani, Mehrdad

2016-05-01

Landslides attributed to quick clays have not only considerable influences on surface geomorphology, they have caused delays in transportation systems, environmental problems and human fatalities, especially in Scandinavia and North America. If the subsurface distributions of quick clays are known, potential damages can be mitigated and the triggers of landslides can better be studied and understood. For this purpose, new radio-magnetotelluric (RMT) and seismic data were acquired in an area near the Göta River in southwest Sweden that contains quick clays and associated landslides. High-resolution data along 4 new lines, in total 3.8 km long, were acquired and merged with earlier acquired data from the site. Velocity and resistivity models derived from first breaks and RMT data were used to delineate subsurface geology, in particular the bedrock surface and coarse-grained materials that overlay the bedrock. The latter often are found underlying quick clays at the site. Comparably high-resistivity and sometimes high-velocity regions within marine clays are attributed to a combination of leached salt from marine clays or potential quick clays and coarse-grained materials. The resistivity and tomographic velocity models suggest a much larger role of the coarse-grained materials at the site than previously thought, but they also suggest two different scenarios for triggering quick-clay landslides at the site. These scenarios are related to the erosion of the riverbank, increased pore-pressure and surface topography when close to the river and human activity when away from the river and where bowl-shaped bedrock surrounds the sediments.

Coarse-Grained and Atomistic Modeling of Polyimides

NASA Technical Reports Server (NTRS)

Clancy, Thomas C.; Hinkley, Jeffrey A.

2004-01-01

A coarse-grained model for a set of three polyimide isomers is developed. Each polyimide is comprised of BPDA (3,3,4,4' - biphenyltetracarboxylic dianhydride) and one of three APB isomers: 1,3-bis(4-aminophenoxy)benzene, 1,4-bis(4-aminophenoxy)benzene or 1,3-bis(3-aminophenoxy)benzene. The coarse-grained model is constructed as a series of linked vectors following the contour of the polymer backbone. Beads located at the midpoint of each vector define centers for long range interaction energy between monomer subunits. A bulk simulation of each coarse-grained polyimide model is performed with a dynamic Monte Carlo procedure. These coarsegrained models are then reverse-mapped to fully atomistic models. The coarse-grained models show the expected trends in decreasing chain dimensions with increasing meta linkage in the APB section of the repeat unit, although these differences were minor due to the relatively short chains simulated here. Considerable differences are seen among the dynamic Monte Carlo properties of the three polyimide isomers. Decreasing relaxation times are seen with increasing meta linkage in the APB section of the repeat unit.

Modeling photovoltaic diffusion: an analysis of geospatial datasets

NASA Astrophysics Data System (ADS)

Davidson, Carolyn; Drury, Easan; Lopez, Anthony; Elmore, Ryan; Margolis, Robert

2014-07-01

This study combines address-level residential photovoltaic (PV) adoption trends in California with several types of geospatial information—population demographics, housing characteristics, foreclosure rates, solar irradiance, vehicle ownership preferences, and others—to identify which subsets of geospatial information are the best predictors of historical PV adoption. Number of rooms, heating source and house age were key variables that had not been previously explored in the literature, but are consistent with the expected profile of a PV adopter. The strong relationship provided by foreclosure indicators and mortgage status have less of an intuitive connection to PV adoption, but may be highly correlated with characteristics inherent in PV adopters. Next, we explore how these predictive factors and model performance varies between different Investor Owned Utility (IOU) regions in California, and at different spatial scales. Results suggest that models trained with small subsets of geospatial information (five to eight variables) may provide similar explanatory power as models using hundreds of geospatial variables. Further, the predictive performance of models generally decreases at higher resolution, i.e., below ZIP code level since several geospatial variables with coarse native resolution become less useful for representing high resolution variations in PV adoption trends. However, for California we find that model performance improves if parameters are trained at the regional IOU level rather than the state-wide level. We also find that models trained within one IOU region are generally representative for other IOU regions in CA, suggesting that a model trained with data from one state may be applicable in another state.

A microwave systems approach to measuring root zone soil moisture

NASA Technical Reports Server (NTRS)

Newton, R. W.; Paris, J. F.; Clark, B. V.

1983-01-01

Computer microwave satellite simulation models were developed and the program was used to test the ability of a coarse resolution passive microwave sensor to measure soil moisture over large areas, and to evaluate the effect of heterogeneous ground covers with the resolution cell on the accuracy of the soil moisture estimate. The use of realistic scenes containing only 10% to 15% bare soil and significant vegetation made it possible to observe a 60% K decrease in brightness temperature from a 5% soil moisture to a 35% soil moisture at a 21 cm microwave wavelength, providing a 1.5 K to 2 K per percent soil moisture sensitivity to soil moisture. It was shown that resolution does not affect the basic ability to measure soil moisture with a microwave radiometer system. Experimental microwave and ground field data were acquired for developing and testing a root zone soil moisture prediction algorithm. The experimental measurements demonstrated that the depth of penetration at a 21 cm microwave wavelength is not greater than 5 cm.

Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)

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

Vögele, Martin; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Frankfurt a. M.; Holm, Christian

2015-12-28

We present simulations of aqueous polyelectrolyte complexes with new MARTINI models for the charged polymers poly(styrene sulfonate) and poly(diallyldimethylammonium). Our coarse-grained polyelectrolyte models allow us to study large length and long time scales with regard to chemical details and thermodynamic properties. The results are compared to the outcomes of previous atomistic molecular dynamics simulations and verify that electrostatic properties are reproduced by our MARTINI coarse-grained approach with reasonable accuracy. Structural similarity between the atomistic and the coarse-grained results is indicated by a comparison between the pair radial distribution functions and the cumulative number of surrounding particles. Our coarse-grained models aremore » able to quantitatively reproduce previous findings like the correct charge compensation mechanism and a reduced dielectric constant of water. These results can be interpreted as the underlying reason for the stability of polyelectrolyte multilayers and complexes and validate the robustness of the proposed models.« less

Forest Classification Accuracy as Influenced by Multispectral Scanner Spatial Resolution. [Sam Houston National Forest, Texas

NASA Technical Reports Server (NTRS)

Nalepka, R. F. (Principal Investigator); Sadowski, F. E.; Sarno, J. E.

1976-01-01

The author has identified the following significant results. A supervised classification within two separate ground areas of the Sam Houston National Forest was carried out for two sq meters spatial resolution MSS data. Data were progressively coarsened to simulate five additional cases of spatial resolution ranging up to 64 sq meters. Similar processing and analysis of all spatial resolutions enabled evaluations of the effect of spatial resolution on classification accuracy for various levels of detail and the effects on area proportion estimation for very general forest features. For very coarse resolutions, a subset of spectral channels which simulated the proposed thematic mapper channels was used to study classification accuracy.

Canopy reflectance, photosynthesis, and transpiration. III - A reanalysis using improved leaf models and a new canopy integration scheme

NASA Technical Reports Server (NTRS)

Sellers, P. J.; Berry, J. A.; Collatz, G. J.; Field, C. B.; Hall, F. G.

1992-01-01

The theoretical analyses of Sellers (1985, 1987), which linked canopy spectral reflectance properties to (unstressed) photosynthetic rates and conductances, are critically reviewed and significant shortcomings are identified. These are addressed in this article principally through the incorporation of a more sophisticated and realistic treatment of leaf physiological processes within a new canopy integration scheme. The results indicate that area-averaged spectral vegetation indices, as obtained from coarse resolution satellite sensors, may give good estimates of the area-integrals of photosynthesis and conductance even for spatially heterogenous (though physiologically uniform) vegetation covers.

Coarse-Grained Models for Automated Fragmentation and Parametrization of Molecular Databases.

PubMed

Fraaije, Johannes G E M; van Male, Jan; Becherer, Paul; Serral Gracià, Rubèn

2016-12-27

We calibrate coarse-grained interaction potentials suitable for screening large data sets in top-down fashion. Three new algorithms are introduced: (i) automated decomposition of molecules into coarse-grained units (fragmentation); (ii) Coarse-Grained Reference Interaction Site Model-Hypernetted Chain (CG RISM-HNC) as an intermediate proxy for dissipative particle dynamics (DPD); and (iii) a simple top-down coarse-grained interaction potential/model based on activity coefficient theories from engineering (using COSMO-RS). We find that the fragment distribution follows Zipf and Heaps scaling laws. The accuracy in Gibbs energy of mixing calculations is a few tenths of a kilocalorie per mole. As a final proof of principle, we use full coarse-grained sampling through DPD thermodynamics integration to calculate log P OW for 4627 compounds with an average error of 0.84 log unit. The computational speeds per calculation are a few seconds for CG RISM-HNC and a few minutes for DPD thermodynamic integration.

Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies

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

Salerno, K. Michael; Agrawal, Anupriya; Perahia, Dvora

2016-02-05

Coupled length and time scales determine the dynamic behavior of polymers and underlie their unique viscoelastic properties. To resolve the long-time dynamics it is imperative to determine which time and length scales must be correctly modeled. In this paper, we probe the degree of coarse graining required to simultaneously retain significant atomistic details and access large length and time scales. The degree of coarse graining in turn sets the minimum length scale instrumental in defining polymer properties and dynamics. Using linear polyethylene as a model system, we probe how the coarse-graining scale affects the measured dynamics. Iterative Boltzmann inversion ismore » used to derive coarse-grained potentials with 2–6 methylene groups per coarse-grained bead from a fully atomistic melt simulation. We show that atomistic detail is critical to capturing large-scale dynamics. Finally, using these models we simulate polyethylene melts for times over 500 μs to study the viscoelastic properties of well-entangled polymer melts.« less

Weighted least squares phase unwrapping based on the wavelet transform

NASA Astrophysics Data System (ADS)

Chen, Jiafeng; Chen, Haiqin; Yang, Zhengang; Ren, Haixia

2007-01-01

The weighted least squares phase unwrapping algorithm is a robust and accurate method to solve phase unwrapping problem. This method usually leads to a large sparse linear equation system. Gauss-Seidel relaxation iterative method is usually used to solve this large linear equation. However, this method is not practical due to its extremely slow convergence. The multigrid method is an efficient algorithm to improve convergence rate. However, this method needs an additional weight restriction operator which is very complicated. For this reason, the multiresolution analysis method based on the wavelet transform is proposed. By applying the wavelet transform, the original system is decomposed into its coarse and fine resolution levels and an equivalent equation system with better convergence condition can be obtained. Fast convergence in separate coarse resolution levels speeds up the overall system convergence rate. The simulated experiment shows that the proposed method converges faster and provides better result than the multigrid method.

LSAH: a fast and efficient local surface feature for point cloud registration

NASA Astrophysics Data System (ADS)

Lu, Rongrong; Zhu, Feng; Wu, Qingxiao; Kong, Yanzi

2018-04-01

Point cloud registration is a fundamental task in high level three dimensional applications. Noise, uneven point density and varying point cloud resolutions are the three main challenges for point cloud registration. In this paper, we design a robust and compact local surface descriptor called Local Surface Angles Histogram (LSAH) and propose an effectively coarse to fine algorithm for point cloud registration. The LSAH descriptor is formed by concatenating five normalized sub-histograms into one histogram. The five sub-histograms are created by accumulating a different type of angle from a local surface patch respectively. The experimental results show that our LSAH is more robust to uneven point density and point cloud resolutions than four state-of-the-art local descriptors in terms of feature matching. Moreover, we tested our LSAH based coarse to fine algorithm for point cloud registration. The experimental results demonstrate that our algorithm is robust and efficient as well.

Proximity correction of high-dosed frame with PROXECCO

NASA Astrophysics Data System (ADS)

Eisenmann, Hans; Waas, Thomas; Hartmann, Hans

1994-05-01

Usefulness of electron beam lithography is strongly related to the efficiency and quality of methods used for proximity correction. This paper addresses the above issue by proposing an extension to the new proximity correction program PROXECCO. The combination of a framing step with PROXECCO produces a pattern with a very high edge accuracy and still allows usage of the fast correction procedure. Making a frame with a higher dose imitates a fine resolution correction where the coarse part is disregarded. So after handling the high resolution effect by means of framing, an additional coarse correction is still needed. Higher doses have a higher contribution to the proximity effect. This additional proximity effect is taken into account with the help of the multi-dose input of PROXECCO. The dose of the frame is variable, depending on the deposited energy coming from backscattering of the proximity. Simulation proves the very high edge accuracy of the applied method.

Monitoring the lake area changes of the Qinghai-Tibet Plateau using coarse-resolution time series remote sensing data

NASA Astrophysics Data System (ADS)

Ma, M.

2015-12-01

The Qinghai-Tibet Plateau (QTP) is the world's highest and largest plateau and is occasionally referred to as "the roof of the world". As the important "water tower", there are 1,091 lakes of more than 1.0 km2 in the QTP areas, which account for 49.4% of the total area of lakes in China. Some studies focus on the lake area changes of the QTP areas, which mainly use the middle-resolution remote sensing data (e.g. Landsat TM). In this study, the coarse-resolution time series remote sensing data, MODIS data at a spatial resolution of 250m, was used to monitor the lake area changes of the QTP areas during the last 15 years. The dataset is the MOD13Q1 and the Normal Difference Vegetation Index (NDVI) is used to identify the lake area when the NDVI is less than 0. The results show the obvious inner-annual changes of most of the lakes. Therefore the annually average and maximum lake areas are calculated based on the time series remote data, which can better quantify the change characteristics than the single scene of image data from the middle-resolution data. The results indicate that there are big spatial variances of the lake area changes in the QTB. The natural driving factors are analyzed for revealing the causes of changes.

Scaling of surface energy fluxes using remotely sensed data

NASA Astrophysics Data System (ADS)

French, Andrew Nichols

Accurate estimates of evapotranspiration (ET) across multiple terrains would greatly ease challenges faced by hydrologists, climate modelers, and agronomists as they attempt to apply theoretical models to real-world situations. One ET estimation approach uses an energy balance model to interpret a combination of meteorological observations taken at the surface and data captured by remote sensors. However, results of this approach have not been accurate because of poor understanding of the relationship between surface energy flux and land cover heterogeneity, combined with limits in available resolution of remote sensors. The purpose of this study was to determine how land cover and image resolution affect ET estimates. Using remotely sensed data collected over El Reno, Oklahoma, during four days in June and July 1997, scale effects on the estimation of spatially distributed ET were investigated. Instantaneous estimates of latent and sensible heat flux were calculated using a two-source surface energy balance model driven by thermal infrared, visible-near infrared, and meteorological data. The heat flux estimates were verified by comparison to independent eddy-covariance observations. Outcomes of observations taken at coarser resolutions were simulated by aggregating remote sensor data and estimated surface energy balance components from the finest sensor resolution (12 meter) to hypothetical resolutions as coarse as one kilometer. Estimated surface energy flux components were found to be significantly dependent on observation scale. For example, average evaporative fraction varied from 0.79, using 12-m resolution data, to 0.93, using 1-km resolution data. Resolution effects upon flux estimates were related to a measure of landscape heterogeneity known as operational scale, reflecting the size of dominant landscape features. Energy flux estimates based on data at resolutions less than 100 m and much greater than 400 m showed a scale-dependent bias. But estimates derived from data taken at about 400-m resolution (the operational scale at El Reno) were susceptible to large error due to mixing of surface types. The El Reno experiments show that accurate instantaneous estimates of ET require precise image alignment and image resolutions finer than landscape operational scale. These findings are valuable for the design of sensors and experiments to quantify spatially-varying hydrologic processes.

The influence of coarse-scale environmental features on current and predicted future distributions of narrow-range endemic crayfish populations

USGS Publications Warehouse

Dyer, Joseph J.; Brewer, Shannon K.; Worthington, Thomas A.; Bergey, Elizabeth A.

2013-01-01

1.A major limitation to effective management of narrow-range crayfish populations is the paucity of information on the spatial distribution of crayfish species and a general understanding of the interacting environmental variables that drive current and future potential distributional patterns. 2.Maximum Entropy Species Distribution Modeling Software (MaxEnt) was used to predict the current and future potential distributions of four endemic crayfish species in the Ouachita Mountains. Current distributions were modelled using climate, geology, soils, land use, landform and flow variables thought to be important to lotic crayfish. Potential changes in the distribution were forecast by using models trained on current conditions and projecting onto the landscape predicted under climate-change scenarios. 3.The modelled distribution of the four species closely resembled the perceived distribution of each species but also predicted populations in streams and catchments where they had not previously been collected. Soils, elevation and winter precipitation and temperature most strongly related to current distributions and represented 6587% of the predictive power of the models. Model accuracy was high for all models, and model predictions of new populations were verified through additional field sampling. 4.Current models created using two spatial resolutions (1 and 4.5km2) showed that fine-resolution data more accurately represented current distributions. For three of the four species, the 1-km2 resolution models resulted in more conservative predictions. However, the modelled distributional extent of Orconectes leptogonopodus was similar regardless of data resolution. Field validations indicated 1-km2 resolution models were more accurate than 4.5-km2 resolution models. 5.Future projected (4.5-km2 resolution models) model distributions indicated three of the four endemic species would have truncated ranges with low occurrence probabilities under the low-emission scenario, whereas two of four species would be severely restricted in range under moderatehigh emissions. Discrepancies in the two emission scenarios probably relate to the exclusion of behavioural adaptations from species-distribution models. 6.These model predictions illustrate possible impacts of climate change on narrow-range endemic crayfish populations. The predictions do not account for biotic interactions, migration, local habitat conditions or species adaptation. However, we identified the constraining landscape features acting on these populations that provide a framework for addressing habitat needs at a fine scale and developing targeted and systematic monitoring programmes.

Atomistic and Coarse-Grained Modeling of the Adsorption of Graphene Nanoflakes at the Oil-Water Interface.

PubMed

Ardham, Vikram Reddy; Leroy, Frédéric

2018-03-01

The high interfacial tension between two immiscible liquids can provide the necessary driving force for the self-assembly of nanoparticles at the interface. Particularly, the interface between water and oily liquids (hydrocarbon chains) has been exploited to prepare networks of highly interconnected graphene sheets of only a few layers thickness, which are well suited for industrial applications. Studying such complex systems through particle-based simulations could greatly enhance the understanding of the various driving forces in action and could possibly give more control over the self-assembly process. However, the interaction potentials used in particle-based simulations are typically derived by reproducing bulk properties and are therefore not suitable for describing systems dominated by interfaces. To address this issue, we introduce a methodology to derive solid-liquid interaction potentials that yield an accurate representation of the balance between interfacial interactions at atomistic and coarse-grained resolutions. Our approach is validated through its ability to lead to the adsorption of graphene nanoflakes at the interface between water and n-hexane. The development of accurate coarse-grained potentials that our approach enables will allow us to perform large-scale simulations to study the assembly of graphene nanoparticles at the interface between immiscible liquids. Our methodology is illustrated through a simulation of many graphene nanoflakes adsorbing at the interface.

Molecular Modeling of Thermosetting Polymers: Effects of Degree of Curing and Chain Length on Thermo-Mechanical Properties

DTIC Science & Technology

2012-08-01

paper, we will first briefly discuss our recent results, using coarse-grained bead - spring model , on the dependence of failure stress and failure...length of the resin strands. In the coarse-grained model used here the polymer network is treated as a bead - spring system. To create highly cross...simulations of Thermosets We have used a coarse-grained bead - spring model to study the dependence of the mechanical properties of thermosets on chain

How the Dynamics of a Supramolecular Polymer Determines Its Dynamic Adaptivity and Stimuli-Responsiveness: Structure-Dynamics-Property Relationships From Coarse-Grained Simulations.

PubMed

Torchi, Andrea; Bochicchio, Davide; Pavan, Giovanni M

2018-04-12

The rational design of supramolecular polymers that can adapt or respond in time to specific stimuli in a controlled way is interesting for many applications, but this requires understanding the molecular factors that make the material faster or slower in responding to the stimulus. To this end, it is necessary to study the dynamic adaptive properties at submolecular resolution, which is difficult at an experimental level. Here we show coarse-grained molecular dynamics simulations (<5 Å resolution) demonstrating how the dynamic adaptivity and stimuli responsiveness of a supramolecular polymer is controlled by the intrinsic dynamics of the assembly, which is in turn determined by the structure of the monomers. As a representative case, we focus on a water-soluble 1,3,5-benzenetricarboxamide (BTA) supramolecular polymer incorporating (charged) receptor monomers, experimentally seen to undergo dynamic clustering following the superselective binding to a multivalent recruiter. Our simulations show that the dynamic reorganization of the supramolecular structure proceeds via monomer diffusion on the dynamic fiber surface (exchange within the fiber). Rationally changing the structure of the monomers to make the fiber surface more or less dynamic allows tuning the rate of response to the stimulus and of supramolecular reconfiguration. Simple in silico experiments draw a structure-dynamics-property relationship revealing the key factors underpinning the dynamic adaptivity and stimuli-responsiveness of these supramolecular polymers. We come out with clear evidence that to master the bioinspired properties of these fibers, it is necessary to control their intrinsic dynamics, while the high-resolution of our molecular models permits us to show how.

Linking macroecology and community ecology: refining predictions of species distributions using biotic interaction networks.

PubMed

Staniczenko, Phillip P A; Sivasubramaniam, Prabu; Suttle, K Blake; Pearson, Richard G

2017-06-01

Macroecological models for predicting species distributions usually only include abiotic environmental conditions as explanatory variables, despite knowledge from community ecology that all species are linked to other species through biotic interactions. This disconnect is largely due to the different spatial scales considered by the two sub-disciplines: macroecologists study patterns at large extents and coarse resolutions, while community ecologists focus on small extents and fine resolutions. A general framework for including biotic interactions in macroecological models would help bridge this divide, as it would allow for rigorous testing of the role that biotic interactions play in determining species ranges. Here, we present an approach that combines species distribution models with Bayesian networks, which enables the direct and indirect effects of biotic interactions to be modelled as propagating conditional dependencies among species' presences. We show that including biotic interactions in distribution models for species from a California grassland community results in better range predictions across the western USA. This new approach will be important for improving estimates of species distributions and their dynamics under environmental change. © 2017 The Authors. Ecology Letters published by CNRS and John Wiley & Sons Ltd.

Mesoscopic-microscopic spatial stochastic simulation with automatic system partitioning.

PubMed

Hellander, Stefan; Hellander, Andreas; Petzold, Linda

2017-12-21

The reaction-diffusion master equation (RDME) is a model that allows for efficient on-lattice simulation of spatially resolved stochastic chemical kinetics. Compared to off-lattice hard-sphere simulations with Brownian dynamics or Green's function reaction dynamics, the RDME can be orders of magnitude faster if the lattice spacing can be chosen coarse enough. However, strongly diffusion-controlled reactions mandate a very fine mesh resolution for acceptable accuracy. It is common that reactions in the same model differ in their degree of diffusion control and therefore require different degrees of mesh resolution. This renders mesoscopic simulation inefficient for systems with multiscale properties. Mesoscopic-microscopic hybrid methods address this problem by resolving the most challenging reactions with a microscale, off-lattice simulation. However, all methods to date require manual partitioning of a system, effectively limiting their usefulness as "black-box" simulation codes. In this paper, we propose a hybrid simulation algorithm with automatic system partitioning based on indirect a priori error estimates. We demonstrate the accuracy and efficiency of the method on models of diffusion-controlled networks in 3D.

iMODS: internal coordinates normal mode analysis server.

PubMed

López-Blanco, José Ramón; Aliaga, José I; Quintana-Ortí, Enrique S; Chacón, Pablo

2014-07-01

Normal mode analysis (NMA) in internal (dihedral) coordinates naturally reproduces the collective functional motions of biological macromolecules. iMODS facilitates the exploration of such modes and generates feasible transition pathways between two homologous structures, even with large macromolecules. The distinctive internal coordinate formulation improves the efficiency of NMA and extends its applicability while implicitly maintaining stereochemistry. Vibrational analysis, motion animations and morphing trajectories can be easily carried out at different resolution scales almost interactively. The server is versatile; non-specialists can rapidly characterize potential conformational changes, whereas advanced users can customize the model resolution with multiple coarse-grained atomic representations and elastic network potentials. iMODS supports advanced visualization capabilities for illustrating collective motions, including an improved affine-model-based arrow representation of domain dynamics. The generated all-heavy-atoms conformations can be used to introduce flexibility for more advanced modeling or sampling strategies. The server is free and open to all users with no login requirement at http://imods.chaconlab.org. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

Residential energy use emissions dominate health impacts from exposure to ambient particulate matter in India.

PubMed

Conibear, Luke; Butt, Edward W; Knote, Christoph; Arnold, Stephen R; Spracklen, Dominick V

2018-02-12

Exposure to ambient fine particulate matter (PM 2.5 ) is a leading contributor to diseases in India. Previous studies analysing emission source attributions were restricted by coarse model resolution and limited PM 2.5 observations. We use a regional model informed by new observations to make the first high-resolution study of the sector-specific disease burden from ambient PM 2.5 exposure in India. Observed annual mean PM 2.5 concentrations exceed 100 μg m -3 and are well simulated by the model. We calculate that the emissions from residential energy use dominate (52%) population-weighted annual mean PM 2.5 concentrations, and are attributed to 511,000 (95UI: 340,000-697,000) premature mortalities annually. However, removing residential energy use emissions would avert only 256,000 (95UI: 162,000-340,000), due to the non-linear exposure-response relationship causing health effects to saturate at high PM 2.5 concentrations. Consequently, large reductions in emissions will be required to reduce the health burden from ambient PM 2.5 exposure in India.

A two-level approach to large mixed-integer programs with application to cogeneration in energy-efficient buildings

DOE PAGES

Lin, Fu; Leyffer, Sven; Munson, Todd

2016-04-12

We study a two-stage mixed-integer linear program (MILP) with more than 1 million binary variables in the second stage. We develop a two-level approach by constructing a semi-coarse model that coarsens with respect to variables and a coarse model that coarsens with respect to both variables and constraints. We coarsen binary variables by selecting a small number of prespecified on/off profiles. We aggregate constraints by partitioning them into groups and taking convex combination over each group. With an appropriate choice of coarsened profiles, the semi-coarse model is guaranteed to find a feasible solution of the original problem and hence providesmore » an upper bound on the optimal solution. We show that solving a sequence of coarse models converges to the same upper bound with proven finite steps. This is achieved by adding violated constraints to coarse models until all constraints in the semi-coarse model are satisfied. We demonstrate the effectiveness of our approach in cogeneration for buildings. Here, the coarsened models allow us to obtain good approximate solutions at a fraction of the time required by solving the original problem. Extensive numerical experiments show that the two-level approach scales to large problems that are beyond the capacity of state-of-the-art commercial MILP solvers.« less

A two-level approach to large mixed-integer programs with application to cogeneration in energy-efficient buildings

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

Lin, Fu; Leyffer, Sven; Munson, Todd

We study a two-stage mixed-integer linear program (MILP) with more than 1 million binary variables in the second stage. We develop a two-level approach by constructing a semi-coarse model that coarsens with respect to variables and a coarse model that coarsens with respect to both variables and constraints. We coarsen binary variables by selecting a small number of prespecified on/off profiles. We aggregate constraints by partitioning them into groups and taking convex combination over each group. With an appropriate choice of coarsened profiles, the semi-coarse model is guaranteed to find a feasible solution of the original problem and hence providesmore » an upper bound on the optimal solution. We show that solving a sequence of coarse models converges to the same upper bound with proven finite steps. This is achieved by adding violated constraints to coarse models until all constraints in the semi-coarse model are satisfied. We demonstrate the effectiveness of our approach in cogeneration for buildings. Here, the coarsened models allow us to obtain good approximate solutions at a fraction of the time required by solving the original problem. Extensive numerical experiments show that the two-level approach scales to large problems that are beyond the capacity of state-of-the-art commercial MILP solvers.« less

Coarse-graining errors and numerical optimization using a relative entropy framework

NASA Astrophysics Data System (ADS)

Chaimovich, Aviel; Shell, M. Scott

2011-03-01

The ability to generate accurate coarse-grained models from reference fully atomic (or otherwise "first-principles") ones has become an important component in modeling the behavior of complex molecular systems with large length and time scales. We recently proposed a novel coarse-graining approach based upon variational minimization of a configuration-space functional called the relative entropy, Srel, that measures the information lost upon coarse-graining. Here, we develop a broad theoretical framework for this methodology and numerical strategies for its use in practical coarse-graining settings. In particular, we show that the relative entropy offers tight control over the errors due to coarse-graining in arbitrary microscopic properties, and suggests a systematic approach to reducing them. We also describe fundamental connections between this optimization methodology and other coarse-graining strategies like inverse Monte Carlo, force matching, energy matching, and variational mean-field theory. We suggest several new numerical approaches to its minimization that provide new coarse-graining strategies. Finally, we demonstrate the application of these theoretical considerations and algorithms to a simple, instructive system and characterize convergence and errors within the relative entropy framework.

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

GLASS daytime all-wave net radiation product: Algorithm development and preliminary validation

DOE PAGES

Jiang, Bo; Liang, Shunlin; Ma, Han; ...

2016-03-09

Mapping surface all-wave net radiation (R n) is critically needed for various applications. Several existing R n products from numerical models and satellite observations have coarse spatial resolutions and their accuracies may not meet the requirements of land applications. In this study, we develop the Global LAnd Surface Satellite (GLASS) daytime R n product at a 5 km spatial resolution. Its algorithm for converting shortwave radiation to all-wave net radiation using the Multivariate Adaptive Regression Splines (MARS) model is determined after comparison with three other algorithms. The validation of the GLASS R n product based on high-quality in situ measurementsmore » in the United States shows a coefficient of determination value of 0.879, an average root mean square error value of 31.61 Wm -2, and an average bias of 17.59 Wm -2. Furthermore, we also compare our product/algorithm with another satellite product (CERES-SYN) and two reanalysis products (MERRA and JRA55), and find that the accuracy of the much higher spatial resolution GLASS R n product is satisfactory. The GLASS R n product from 2000 to the present is operational and freely available to the public.« less

GLASS daytime all-wave net radiation product: Algorithm development and preliminary validation

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

Jiang, Bo; Liang, Shunlin; Ma, Han

Mapping surface all-wave net radiation (R n) is critically needed for various applications. Several existing R n products from numerical models and satellite observations have coarse spatial resolutions and their accuracies may not meet the requirements of land applications. In this study, we develop the Global LAnd Surface Satellite (GLASS) daytime R n product at a 5 km spatial resolution. Its algorithm for converting shortwave radiation to all-wave net radiation using the Multivariate Adaptive Regression Splines (MARS) model is determined after comparison with three other algorithms. The validation of the GLASS R n product based on high-quality in situ measurementsmore » in the United States shows a coefficient of determination value of 0.879, an average root mean square error value of 31.61 Wm -2, and an average bias of 17.59 Wm -2. Furthermore, we also compare our product/algorithm with another satellite product (CERES-SYN) and two reanalysis products (MERRA and JRA55), and find that the accuracy of the much higher spatial resolution GLASS R n product is satisfactory. The GLASS R n product from 2000 to the present is operational and freely available to the public.« less

LAI inversion algorithm based on directional reflectance kernels.

PubMed

Tang, S; Chen, J M; Zhu, Q; Li, X; Chen, M; Sun, R; Zhou, Y; Deng, F; Xie, D

2007-11-01

Leaf area index (LAI) is an important ecological and environmental parameter. A new LAI algorithm is developed using the principles of ground LAI measurements based on canopy gap fraction. First, the relationship between LAI and gap fraction at various zenith angles is derived from the definition of LAI. Then, the directional gap fraction is acquired from a remote sensing bidirectional reflectance distribution function (BRDF) product. This acquisition is obtained by using a kernel driven model and a large-scale directional gap fraction algorithm. The algorithm has been applied to estimate a LAI distribution in China in mid-July 2002. The ground data acquired from two field experiments in Changbai Mountain and Qilian Mountain were used to validate the algorithm. To resolve the scale discrepancy between high resolution ground observations and low resolution remote sensing data, two TM images with a resolution approaching the size of ground plots were used to relate the coarse resolution LAI map to ground measurements. First, an empirical relationship between the measured LAI and a vegetation index was established. Next, a high resolution LAI map was generated using the relationship. The LAI value of a low resolution pixel was calculated from the area-weighted sum of high resolution LAIs composing the low resolution pixel. The results of this comparison showed that the inversion algorithm has an accuracy of 82%. Factors that may influence the accuracy are also discussed in this paper.

A general CFD framework for fault-resilient simulations based on multi-resolution information fusion

NASA Astrophysics Data System (ADS)

Lee, Seungjoon; Kevrekidis, Ioannis G.; Karniadakis, George Em

2017-10-01

We develop a general CFD framework for multi-resolution simulations to target multiscale problems but also resilience in exascale simulations, where faulty processors may lead to gappy, in space-time, simulated fields. We combine approximation theory and domain decomposition together with statistical learning techniques, e.g. coKriging, to estimate boundary conditions and minimize communications by performing independent parallel runs. To demonstrate this new simulation approach, we consider two benchmark problems. First, we solve the heat equation (a) on a small number of spatial "patches" distributed across the domain, simulated by finite differences at fine resolution and (b) on the entire domain simulated at very low resolution, thus fusing multi-resolution models to obtain the final answer. Second, we simulate the flow in a lid-driven cavity in an analogous fashion, by fusing finite difference solutions obtained with fine and low resolution assuming gappy data sets. We investigate the influence of various parameters for this framework, including the correlation kernel, the size of a buffer employed in estimating boundary conditions, the coarseness of the resolution of auxiliary data, and the communication frequency across different patches in fusing the information at different resolution levels. In addition to its robustness and resilience, the new framework can be employed to generalize previous multiscale approaches involving heterogeneous discretizations or even fundamentally different flow descriptions, e.g. in continuum-atomistic simulations.

As Simple As Possible, but Not Simpler: Exploring the Fidelity of Coarse-Grained Protein Models for Simulated Force Spectroscopy

PubMed Central

Rottler, Jörg; Plotkin, Steven S.

2016-01-01

Mechanical unfolding of a single domain of loop-truncated superoxide dismutase protein has been simulated via force spectroscopy techniques with both all-atom (AA) models and several coarse-grained models having different levels of resolution: A Gō model containing all heavy atoms in the protein (HA-Gō), the associative memory, water mediated, structure and energy model (AWSEM) which has 3 interaction sites per amino acid, and a Gō model containing only one interaction site per amino acid at the Cα position (Cα-Gō). To systematically compare results across models, the scales of time, energy, and force had to be suitably renormalized in each model. Surprisingly, the HA-Gō model gives the softest protein, exhibiting much smaller force peaks than all other models after the above renormalization. Clustering to render a structural taxonomy as the protein unfolds showed that the AA, HA-Gō, and Cα-Gō models exhibit a single pathway for early unfolding, which eventually bifurcates repeatedly to multiple branches only after the protein is about half-unfolded. The AWSEM model shows a single dominant unfolding pathway over the whole range of unfolding, in contrast to all other models. TM alignment, clustering analysis, and native contact maps show that the AWSEM pathway has however the most structural similarity to the AA model at high nativeness, but the least structural similarity to the AA model at low nativeness. In comparison to the AA model, the sequence of native contact breakage is best predicted by the HA-Gō model. All models consistently predict a similar unfolding mechanism for early force-induced unfolding events, but diverge in their predictions for late stage unfolding events when the protein is more significantly disordered. PMID:27898663

As Simple As Possible, but Not Simpler: Exploring the Fidelity of Coarse-Grained Protein Models for Simulated Force Spectroscopy.

PubMed

Habibi, Mona; Rottler, Jörg; Plotkin, Steven S

2016-11-01

Mechanical unfolding of a single domain of loop-truncated superoxide dismutase protein has been simulated via force spectroscopy techniques with both all-atom (AA) models and several coarse-grained models having different levels of resolution: A Gō model containing all heavy atoms in the protein (HA-Gō), the associative memory, water mediated, structure and energy model (AWSEM) which has 3 interaction sites per amino acid, and a Gō model containing only one interaction site per amino acid at the Cα position (Cα-Gō). To systematically compare results across models, the scales of time, energy, and force had to be suitably renormalized in each model. Surprisingly, the HA-Gō model gives the softest protein, exhibiting much smaller force peaks than all other models after the above renormalization. Clustering to render a structural taxonomy as the protein unfolds showed that the AA, HA-Gō, and Cα-Gō models exhibit a single pathway for early unfolding, which eventually bifurcates repeatedly to multiple branches only after the protein is about half-unfolded. The AWSEM model shows a single dominant unfolding pathway over the whole range of unfolding, in contrast to all other models. TM alignment, clustering analysis, and native contact maps show that the AWSEM pathway has however the most structural similarity to the AA model at high nativeness, but the least structural similarity to the AA model at low nativeness. In comparison to the AA model, the sequence of native contact breakage is best predicted by the HA-Gō model. All models consistently predict a similar unfolding mechanism for early force-induced unfolding events, but diverge in their predictions for late stage unfolding events when the protein is more significantly disordered.

Reliability of biomass burning estimates from savanna fires: Biomass burning in northern Australia during the 1999 Biomass Burning and Lightning Experiment B field campaign

NASA Astrophysics Data System (ADS)

Russell-Smith, Jeremy; Edwards, Andrew C.; Cook, Garry D.

2003-02-01

This paper estimates the two-daily extent of savanna burning and consumption of fine (grass and litter) fuels from an extensive 230,000 km2 region of northern Australia during August-September 1999 encompassing the Australian continental component of the Biomass Burning and Lightning Experiment B (BIBLE B) campaign [, 2002]. The extent of burning for the study region was derived from fire scar mapping of imagery from the advanced very high resolution radiometer (AVHRR) on board the National Oceanic and Atmospheric Administration (NOAA) satellite. The mapping was calibrated and verified with reference to one Landsat scene and associated aerial transect validation data. Fine fuel loads were estimated using published fuel accumulation relationships for major regional fuel types. It is estimated that more than 43,000 km2 was burnt during the 25 day study period, with about 19 Mt of fine (grass and litter) fuels. This paper examines assumptions and errors associated with these estimates. It is estimated from uncalibrated fire mapping derived from AVHRR imagery that 417,500 km2 of the northern Australian savanna was burnt in 1999, of which 136,405 km2, or 30%, occurred in the Northern Territory study region. Using generalized fuel accumulation equations, such biomass burning consumed an estimated 212.3 Mt of fine fuels, but no data are available for consumption of coarse fuels. This figure exceeds a recent estimate, based on fine fuels only, for the combined Australian savanna and temperate grassland biomass burning over the period 1990-1999 but is lower than past estimates derived from classification approaches. We conclude that (1) fire maps derived from coarse-resolution optical imagery can be applied relatively reliably to estimate the extent of savanna fires, generally with 70-80% confidence using the approach adopted here, over the major burning period in northern Australia and (2) substantial further field assessment and associated modeling of fuel accumulation, especially of coarse fuels, is required.

Advancing the quantification of humid tropical forest cover loss with multi-resolution optical remote sensing data: Sampling & wall-to-wall mapping

NASA Astrophysics Data System (ADS)

Broich, Mark

Humid tropical forest cover loss is threatening the sustainability of ecosystem goods and services as vast forest areas are rapidly cleared for industrial scale agriculture and tree plantations. Despite the importance of humid tropical forest in the provision of ecosystem services and economic development opportunities, the spatial and temporal distribution of forest cover loss across large areas is not well quantified. Here I improve the quantification of humid tropical forest cover loss using two remote sensing-based methods: sampling and wall-to-wall mapping. In all of the presented studies, the integration of coarse spatial, high temporal resolution data with moderate spatial, low temporal resolution data enable advances in quantifying forest cover loss in the humid tropics. Imagery from the Moderate Resolution Imaging Spectroradiometer (MODIS) are used as the source of coarse spatial resolution, high temporal resolution data and imagery from the Landsat Enhanced Thematic Mapper Plus (ETM+) sensor are used as the source of moderate spatial, low temporal resolution data. In a first study, I compare the precision of different sampling designs for the Brazilian Amazon using the annual deforestation maps derived by the Brazilian Space Agency for reference. I show that sampling designs can provide reliable deforestation estimates; furthermore, sampling designs guided by MODIS data can provide more efficient estimates than the systematic design used for the United Nations Food and Agricultural Organization Forest Resource Assessment 2010. Sampling approaches, such as the one demonstrated, are viable in regions where data limitations, such as cloud contamination, limit exhaustive mapping methods. Cloud-contaminated regions experiencing high rates of change include Insular Southeast Asia, specifically Indonesia and Malaysia. Due to persistent cloud cover, forest cover loss in Indonesia has only been mapped at a 5-10 year interval using photo interpretation of single best Landsat images. Such an approach does not provide timely results, and cloud cover reduces the utility of map outputs. In a second study, I develop a method to exhaustively mine the recently opened Landsat archive for cloud-free observations and automatically map forest cover loss for Sumatra and Kalimantan for the 2000-2005 interval. In a comparison with a reference dataset consisting of 64 Landsat sample blocks, I show that my method, using per pixel time-series, provides more accurate forest cover loss maps for multiyear intervals than approaches using image composites. In a third study, I disaggregate Landsat-mapped forest cover loss, mapped over a multiyear interval, by year using annual forest cover loss maps generated from coarse spatial, high temporal resolution MODIS imagery. I further disaggregate and analyze forest cover loss by forest land use, and provinces. Forest cover loss trends show high spatial and temporal variability. These results underline the importance of annual mapping for the quantification of forest cover loss in Indonesia, specifically in the light of the developing Reducing Emissions from Deforestation and Forest Degradation in Developing Countries policy framework (REDD). All three studies highlight the advances in quantifying forest cover loss in the humid tropics made by integrating coarse spatial, high temporal resolution data with moderate spatial, low temporal resolution data. The three methods presented can be combined into an integrated monitoring strategy.

Toward Automatic Georeferencing of Archival Aerial Photogrammetric Surveys

NASA Astrophysics Data System (ADS)

Giordano, S.; Le Bris, A.; Mallet, C.

2018-05-01

Images from archival aerial photogrammetric surveys are a unique and relatively unexplored means to chronicle 3D land-cover changes over the past 100 years. They provide a relatively dense temporal sampling of the territories with very high spatial resolution. Such time series image analysis is a mandatory baseline for a large variety of long-term environmental monitoring studies. The current bottleneck for accurate comparison between epochs is their fine georeferencing step. No fully automatic method has been proposed yet and existing studies are rather limited in terms of area and number of dates. State-of-the art shows that the major challenge is the identification of ground references: cartographic coordinates and their position in the archival images. This task is manually performed, and extremely time-consuming. This paper proposes to use a photogrammetric approach, and states that the 3D information that can be computed is the key to full automation. Its original idea lies in a 2-step approach: (i) the computation of a coarse absolute image orientation; (ii) the use of the coarse Digital Surface Model (DSM) information for automatic absolute image orientation. It only relies on a recent orthoimage+DSM, used as master reference for all epochs. The coarse orthoimage, compared with such a reference, allows the identification of dense ground references and the coarse DSM provides their position in the archival images. Results on two areas and 5 dates show that this method is compatible with long and dense archival aerial image series. Satisfactory planimetric and altimetric accuracies are reported, with variations depending on the ground sampling distance of the images and the location of the Ground Control Points.

Multiscale Modeling at Nanointerfaces: Polymer Thin Film Materials Discovery via Thermomechanically Consistent Coarse Graining

NASA Astrophysics Data System (ADS)

Hsu, David D.

Due to high nanointerfacial area to volume ratio, the properties of "nanoconfined" polymer thin films, blends, and composites become highly altered compared to their bulk homopolymer analogues. Understanding the structure-property mechanisms underlying this effect is an active area of research. However, despite extensive work, a fundamental framework for predicting the local and system-averaged thermomechanical properties as a function of configuration and polymer species has yet to be established. Towards bridging this gap, here, we present a novel, systematic coarse-graining (CG) method which is able to capture quantitatively, the thermomechanical properties of real polymer systems in bulk and in nanoconfined geometries. This method, which we call thermomechanically consistent coarse-graining (TCCG), is a two-bead-per-monomer CG hybrid approach through which bonded interactions are optimized to match the atomistic structure via the Iterative Boltzmann Inversion method (IBI), and nonbonded interactions are tuned to macroscopic targets through parametric studies. We validate the TCCG method by systematically developing coarse-grain models for a group of five specialized methacrylate-based polymers including poly(methyl methacrylate) (PMMA). Good correlation with bulk all-atom (AA) simulations and experiments is found for the temperature-dependent glass transition temperature (Tg) Flory-Fox scaling relationships, self-diffusion coefficients of liquid monomers, and modulus of elasticity. We apply this TCCG method also to bulk polystyrene (PS) using a comparable coarse-grain CG bead mapping strategy. The model demonstrates chain stiffness commensurate with experiments, and we utilize a density-correction term to improve the transferability of the elastic modulus over a 500 K range. Additionally, PS and PMMA models capture the unexplained, characteristically dissimilar scaling of Tg with the thickness of free-standing films as seen in experiments. Using vibrational density of states (VDOS) analysis, we discover that increasing backbone to sidechain mass ratio in CG models increases the amplitude of sidechain fluctuations associated with flexibility, and suppresses the free-surface Tg-nanoconfinement effect. This uncovers that intrinsic mass distribution and sidechain flexibility differences in the PS and PMMA chemical structure are central to explaining the dissimilarities in their free surface response. PS and PMMA models are subsequently combined in the supported bilayer film configuration to explore the local Tg-nanoconfinement effect associated with different interface types at nanometer resolution. We find that Tg gradients in the interphase regions where chain mobility deviates from the bulk are independent of the film thickness above a critical thickness and add by the principle of superposition below the critical thickness to good approximation. The analytical expressions describing the interphase regions and their interactions demonstrate geometric universality and can be used to derive accurate local and global Tg estimations for complex nanophase blends and nanocomposite configurations. Our studies ascertain the significance of molecular characteristics on nanoconfinement, and highlight the ability for chemistry-specific CG models to explore and predict thermomechanical property modification accompanying interfacial nanoconfinement.

Estimating Soil Moisture at High Spatial Resolution with Three Radiometric Satellite Products: A Study from a South-Eastern Australian Catchment

NASA Astrophysics Data System (ADS)

Senanayake, I. P.; Yeo, I. Y.; Tangdamrongsub, N.; Willgoose, G. R.; Hancock, G. R.; Wells, T.; Fang, B.; Lakshmi, V.

2017-12-01

Long-term soil moisture datasets at high spatial resolution are important in agricultural, hydrological, and climatic applications. The soil moisture estimates can be achieved using satellite remote sensing observations. However, the satellite soil moisture data are typically available at coarse spatial resolutions ( several tens of km), therefore require further downscaling. Different satellite soil moisture products have to be conjointly employed in developing a consistent time-series of high resolution soil moisture, while the discrepancies amongst different satellite retrievals need to be resolved. This study aims to downscale three different satellite soil moisture products, the Soil Moisture and Ocean Salinity (SMOS, 25 km), the Soil Moisture Active Passive (SMAP, 36 km) and the SMAP-Enhanced (9 km), and to conduct an inter-comparison of the downscaled results. The downscaling approach is developed based on the relationship between the diurnal temperature difference and the daily mean soil moisture content. The approach is applied to two sub-catchments (Krui and Merriwa River) of the Goulburn River catchment in the Upper Hunter region (NSW, Australia) to estimate soil moisture at 1 km resolution for 2015. The three coarse spatial resolution soil moisture products and their downscaled results will be validated with the in-situ observations obtained from the Scaling and Assimilation of Soil Moisture and Streamflow (SASMAS) network. The spatial and temporal patterns of the downscaled results will also be analysed. This study will provide the necessary insights for data selection and bias corrections to maintain the consistency of a long-term high resolution soil moisture dataset. The results will assist in developing a time-series of high resolution soil moisture data over the south-eastern Australia.

Dynamics of the Glycophorin A Dimer in Membranes of Native-Like Composition Uncovered by Coarse-Grained Molecular Dynamics Simulations

PubMed Central

Flinner, Nadine; Schleiff, Enrico

2015-01-01

Membranes are central for cells as borders to the environment or intracellular organelle definition. They are composed of and harbor different molecules like various lipid species and sterols, and they are generally crowded with proteins. The membrane system is very dynamic and components show lateral, rotational and translational diffusion. The consequence of the latter is that phase separation can occur in membranes in vivo and in vitro. It was documented that molecular dynamics simulations of an idealized plasma membrane model result in formation of membrane areas where either saturated lipids and cholesterol (liquid-ordered character, Lo) or unsaturated lipids (liquid-disordered character, Ld) were enriched. Furthermore, current discussions favor the idea that proteins are sorted into the liquid-disordered phase of model membranes, but experimental support for the behavior of isolated proteins in native membranes is sparse. To gain insight into the protein behavior we built a model of the red blood cell membrane with integrated glycophorin A dimer. The sorting and the dynamics of the dimer were subsequently explored by coarse-grained molecular dynamics simulations. In addition, we inspected the impact of lipid head groups and the presence of cholesterol within the membrane on the dynamics of the dimer within the membrane. We observed that cholesterol is important for the formation of membrane areas with Lo and Ld character. Moreover, it is an important factor for the reproduction of the dynamic behavior of the protein found in its native environment. The protein dimer was exclusively sorted into the domain of Ld character in the model red blood cell plasma membrane. Therefore, we present structural information on the glycophorin A dimer distribution in the plasma membrane in the absence of other factors like e.g. lipid anchors in a coarse grain resolution. PMID:26222139

Extra-Tropical Cyclones at Climate Scales: Comparing Models to Observations

NASA Astrophysics Data System (ADS)

Tselioudis, G.; Bauer, M.; Rossow, W.

2009-04-01

Climate is often defined as the accumulation of weather, and weather is not the concern of climate models. Justification for this latter sentiment has long been hidden behind coarse model resolutions and blunt validation tools based on climatological maps. The spatial-temporal resolutions of today's climate models and observations are converging onto meteorological scales, however, which means that with the correct tools we can test the largely unproven assumption that climate model weather is correct enough that its accumulation results in a robust climate simulation. Towards this effort we introduce a new tool for extracting detailed cyclone statistics from observations and climate model output. These include the usual cyclone characteristics (centers, tracks), but also adaptive cyclone-centric composites. We have created a novel dataset, the MAP Climatology of Mid-latitude Storminess (MCMS), which provides a detailed 6 hourly assessment of the areas under the influence of mid-latitude cyclones, using a search algorithm that delimits the boundaries of each system from the outer-most closed SLP contour. Using this we then extract composites of cloud, radiation, and precipitation properties from sources such as ISCCP and GPCP to create a large comparative dataset for climate model validation. A demonstration of the potential usefulness of these tools in process-based climate model evaluation studies will be shown.

Using high-resolution future climate scenarios to forecast Bromus tectorum invasion in Rocky Mountain National Park.

PubMed

West, Amanda M; Kumar, Sunil; Wakie, Tewodros; Brown, Cynthia S; Stohlgren, Thomas J; Laituri, Melinda; Bromberg, Jim

2015-01-01

National Parks are hallmarks of ecosystem preservation in the United States. The introduction of alien invasive plant species threatens protection of these areas. Bromus tectorum L. (commonly called downy brome or cheatgrass), which is found in Rocky Mountain National Park (hereafter, the Park), Colorado, USA, has been implicated in early spring competition with native grasses, decreased soil nitrogen, altered nutrient and hydrologic regimes, and increased fire intensity. We estimated the potential distribution of B. tectorum in the Park based on occurrence records (n = 211), current and future climate, and distance to roads and trails. An ensemble of six future climate scenarios indicated the habitable area of B. tectorum may increase from approximately 5.5% currently to 20.4% of the Park by the year 2050. Using ordination methods we evaluated the climatic space occupied by B. tectorum in the Park and how this space may shift given future climate change. Modeling climate change at a small extent (1,076 km2) and at a fine spatial resolution (90 m) is a novel approach in species distribution modeling, and may provide inference for microclimates not captured in coarse-scale models. Maps from our models serve as high-resolution hypotheses that can be improved over time by land managers to set priorities for surveys and removal of invasive species such as B. tectorum.

Using High-Resolution Future Climate Scenarios to Forecast Bromus tectorum Invasion in Rocky Mountain National Park

PubMed Central

West, Amanda M.; Kumar, Sunil; Wakie, Tewodros; Brown, Cynthia S.; Stohlgren, Thomas J.; Laituri, Melinda; Bromberg, Jim

2015-01-01

National Parks are hallmarks of ecosystem preservation in the United States. The introduction of alien invasive plant species threatens protection of these areas. Bromus tectorum L. (commonly called downy brome or cheatgrass), which is found in Rocky Mountain National Park (hereafter, the Park), Colorado, USA, has been implicated in early spring competition with native grasses, decreased soil nitrogen, altered nutrient and hydrologic regimes, and increased fire intensity. We estimated the potential distribution of B. tectorum in the Park based on occurrence records (n = 211), current and future climate, and distance to roads and trails. An ensemble of six future climate scenarios indicated the habitable area of B. tectorum may increase from approximately 5.5% currently to 20.4% of the Park by the year 2050. Using ordination methods we evaluated the climatic space occupied by B. tectorum in the Park and how this space may shift given future climate change. Modeling climate change at a small extent (1,076 km2) and at a fine spatial resolution (90 m) is a novel approach in species distribution modeling, and may provide inference for microclimates not captured in coarse-scale models. Maps from our models serve as high-resolution hypotheses that can be improved over time by land managers to set priorities for surveys and removal of invasive species such as B. tectorum. PMID:25695255

The first ISLSCP field experiment (FIFE). [International Satellite Land Surface Climatology Project

NASA Technical Reports Server (NTRS)

Sellers, P. J.; Hall, F. G.; Asrar, G.; Strebel, D. E.; Murphy, R. E.

1988-01-01

The background and planning of the first International Satellite Land Surface Climatology Project (ISLSCP) field experiment (FIFE) are discussed. In FIFE, the NOAA series of satellites and GOES will be used to provide a moderate-temporal resolution coarse-spatial resolution data set, with SPOT and aircraft data providing the high-spatial resolution pointable-instrument capability. The paper describes the experiment design, the measurement strategy, the configuration of the site of the experiment (which will be at and around the Konza prairie near Manhattan, Kansas), and the experiment's operations and execution.

The Errors Sources Affect to the Results of One-Way Nested Ocean Regional Circulation Model

NASA Astrophysics Data System (ADS)

Pham, S. V.

2016-02-01

Pham-Van Sy1, Jin Hwan Hwang2 and Hyeyun Ku3 Dept. of Civil & Environmental Engineering, Seoul National University, KoreaEmail: 1phamsymt@gmail.com (Corresponding author) Email: 2jinhwang@snu.ac.krEmail: 3hyeyun.ku@gmail.comAbstractThe Oceanic Regional Circulation Model (ORCM) is an essential tool in resolving highly a regional scale through downscaling dynamically the results from the roughly revolved global model. However, when dynamic downscaling from a coarse resolution of the global model or observations to the small scale, errors are generated due to the different sizes of resolution and lateral updating frequency. This research evaluated the effect of four main sources on the results of the ocean regional circulation model (ORCMs) during downscaling and nesting the output data from the ocean global circulation model (OGCMs). Representative four error sources should be the way of the LBC formulation, the spatial resolution difference between driving and driven data, the frequency for up-dating LBCs and domain size. Errors which are contributed from each error source to the results of the ORCMs are investigated separately by applying the Big-Brother Experiment (BBE). Within resolution of 3km grid point of the ORCMs imposing in the BBE framework, it clearly exposes that the simulation results of the ORCMs significantly depend on the domain size and specially the spatial and temporal resolution of lateral boundary conditions (LBCs). The ratio resolution of spatial resolution between driving data and driven model could be up to 3, the updating frequency of the LBCs can be up to every 6 hours per day. The optimal domain size of the ORCMs could be smaller than the OGCMs' domain size around 2 to 10 times. Key words: ORCMs, error source, lateral boundary conditions, domain size Acknowledgement: This research was supported by grants from the Korean Ministry of Oceans and Fisheries entitled as "Developing total management system for the Keum river estuary and coast" and "Development of Technology for CO2 Marine Geological Storage". We also thank to the administrative supports of the Integrated Research Institute of Construction and Environmental Engineering of the Seoul National University.

Grain coarsening in two-dimensional phase-field models with an orientation field

NASA Astrophysics Data System (ADS)

Korbuly, Bálint; Pusztai, Tamás; Henry, Hervé; Plapp, Mathis; Apel, Markus; Gránásy, László

2017-05-01

In the literature, contradictory results have been published regarding the form of the limiting (long-time) grain size distribution (LGSD) that characterizes the late stage grain coarsening in two-dimensional and quasi-two-dimensional polycrystalline systems. While experiments and the phase-field crystal (PFC) model (a simple dynamical density functional theory) indicate a log-normal distribution, other works including theoretical studies based on conventional phase-field simulations that rely on coarse grained fields, like the multi-phase-field (MPF) and orientation field (OF) models, yield significantly different distributions. In a recent work, we have shown that the coarse grained phase-field models (whether MPF or OF) yield very similar limiting size distributions that seem to differ from the theoretical predictions. Herein, we revisit this problem, and demonstrate in the case of OF models [R. Kobayashi, J. A. Warren, and W. C. Carter, Physica D 140, 141 (2000), 10.1016/S0167-2789(00)00023-3; H. Henry, J. Mellenthin, and M. Plapp, Phys. Rev. B 86, 054117 (2012), 10.1103/PhysRevB.86.054117] that an insufficient resolution of the small angle grain boundaries leads to a log-normal distribution close to those seen in the experiments and the molecular scale PFC simulations. Our paper indicates, furthermore, that the LGSD is critically sensitive to the details of the evaluation process, and raises the possibility that the differences among the LGSD results from different sources may originate from differences in the detection of small angle grain boundaries.

Effects of molecular model, ionic strength, divalent ions, and hydrophobic interaction on human neurofilament conformation

NASA Astrophysics Data System (ADS)

Lee, Joonseong; Kim, Seonghoon; Chang, Rakwoo; Jayanthi, Lakshmi; Gebremichael, Yeshitila

2013-01-01

The present study examines the effects of the model dependence, ionic strength, divalent ions, and hydrophobic interaction on the structural organization of the human neurofilament (NF) brush, using canonical ensemble Monte Carlo (MC) simulations of a coarse-grained model with the amino-acid resolution. The model simplifies the interactions between the NF core and the sidearm or between the sidearms by the sum of excluded volume, electrostatic, and hydrophobic interactions, where both monovalent salt ions and solvents are implicitly incorporated into the electrostatic interaction potential. Several important observations are made from the MC simulations of the coarse-grained model NF systems. First, the mean-field type description of monovalent salt ions works reasonably well in the NF system. Second, the manner by which the NF sidearms are arranged on the surface of the NF backbone core has little influence on the lateral extension of NF sidearms. Third, the lateral extension of the NF sidearms is highly affected by the ionic strength of the system: at low ionic strength, NF-M is most extended but at high ionic strength, NF-H is more stretched out because of the effective screening of the electrostatic interaction. Fourth, the presence of Ca2 + ions induces the attraction between negatively charged residues, which leads to the contraction of the overall NF extension. Finally, the introduction of hydrophobic interaction does not change the general structural organization of the NF sidearms except that the overall extension is contracted.

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.

Testing of the new tuner design for the CEBAF 12 GeV upgrade SRF cavities

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

Edward Daly; G. Davis; William Hicks

2005-05-01

The new tuner design for the 12 GeV Upgrade SRF cavities consists of a coarse mechanical tuner and a fine piezoelectric tuner. The mechanism provides a 30:1 mechanical advantage, is pre-loaded at room temperature and tunes the cavities in tension only. All of the components are located in the insulating vacuum space and attached to the helium vessel, including the motor, harmonic drive and piezoelectric actuators. The requirements and detailed design are presented. Measurements of range and resolution of the coarse tuner are presented and discussed.

Applying Reduced Generator Models in the Coarse Solver of Parareal in Time Parallel Power System Simulation

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

Duan, Nan; Dimitrovski, Aleksandar D; Simunovic, Srdjan

2016-01-01

The development of high-performance computing techniques and platforms has provided many opportunities for real-time or even faster-than-real-time implementation of power system simulations. One approach uses the Parareal in time framework. The Parareal algorithm has shown promising theoretical simulation speedups by temporal decomposing a simulation run into a coarse simulation on the entire simulation interval and fine simulations on sequential sub-intervals linked through the coarse simulation. However, it has been found that the time cost of the coarse solver needs to be reduced to fully exploit the potentials of the Parareal algorithm. This paper studies a Parareal implementation using reduced generatormore » models for the coarse solver and reports the testing results on the IEEE 39-bus system and a 327-generator 2383-bus Polish system model.« less

Systematic and simulation-free coarse graining of homopolymer melts: a relative-entropy-based study.

PubMed

Yang, Delian; Wang, Qiang

2015-09-28

We applied the systematic and simulation-free strategy proposed in our previous work (D. Yang and Q. Wang, J. Chem. Phys., 2015, 142, 054905) to the relative-entropy-based (RE-based) coarse graining of homopolymer melts. RE-based coarse graining provides a quantitative measure of the coarse-graining performance and can be used to select the appropriate analytic functional forms of the pair potentials between coarse-grained (CG) segments, which are more convenient to use than the tabulated (numerical) CG potentials obtained from structure-based coarse graining. In our general coarse-graining strategy for homopolymer melts using the RE framework proposed here, the bonding and non-bonded CG potentials are coupled and need to be solved simultaneously. Taking the hard-core Gaussian thread model (K. S. Schweizer and J. G. Curro, Chem. Phys., 1990, 149, 105) as the original system, we performed RE-based coarse graining using the polymer reference interaction site model theory under the assumption that the intrachain segment pair correlation functions of CG systems are the same as those in the original system, which de-couples the bonding and non-bonded CG potentials and simplifies our calculations (that is, we only calculated the latter). We compared the performance of various analytic functional forms of non-bonded CG pair potential and closures for CG systems in RE-based coarse graining, as well as the structural and thermodynamic properties of original and CG systems at various coarse-graining levels. Our results obtained from RE-based coarse graining are also compared with those from structure-based coarse graining.

Seasonal variability of atmospheric tides in the mesosphere and lower thermosphere: meteor radar data and simulations

NASA Astrophysics Data System (ADS)

Pokhotelov, Dimitry; Becker, Erich; Stober, Gunter; Chau, Jorge L.

2018-06-01

Thermal tides play an important role in the global atmospheric dynamics and provide a key mechanism for the forcing of thermosphere-ionosphere dynamics from below. A method for extracting tidal contributions, based on the adaptive filtering, is applied to analyse multi-year observations of mesospheric winds from ground-based meteor radars located in northern Germany and Norway. The observed seasonal variability of tides is compared to simulations with the Kühlungsborn Mechanistic Circulation Model (KMCM). It is demonstrated that the model provides reasonable representation of the tidal amplitudes, though substantial differences from observations are also noticed. The limitations of applying a conventionally coarse-resolution model in combination with parametrisation of gravity waves are discussed. The work is aimed towards the development of an ionospheric model driven by the dynamics of the KMCM.

Stepping inside the niche: microclimate data are critical for accurate assessment of species' vulnerability to climate change.

PubMed

Storlie, Collin; Merino-Viteri, Andres; Phillips, Ben; VanDerWal, Jeremy; Welbergen, Justin; Williams, Stephen

2014-09-01

To assess a species' vulnerability to climate change, we commonly use mapped environmental data that are coarsely resolved in time and space. Coarsely resolved temperature data are typically inaccurate at predicting temperatures in microhabitats used by an organism and may also exhibit spatial bias in topographically complex areas. One consequence of these inaccuracies is that coarsely resolved layers may predict thermal regimes at a site that exceed species' known thermal limits. In this study, we use statistical downscaling to account for environmental factors and develop high-resolution estimates of daily maximum temperatures for a 36 000 km(2) study area over a 38-year period. We then demonstrate that this statistical downscaling provides temperature estimates that consistently place focal species within their fundamental thermal niche, whereas coarsely resolved layers do not. Our results highlight the need for incorporation of fine-scale weather data into species' vulnerability analyses and demonstrate that a statistical downscaling approach can yield biologically relevant estimates of thermal regimes. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

It's time for a crisper image of the Face of the Earth: Landsat and climate time series for massive land cover & climate change mapping at detailed resolution.

NASA Astrophysics Data System (ADS)

Pons, Xavier; Miquel, Ninyerola; Oscar, González-Guerrero; Cristina, Cea; Pere, Serra; Alaitz, Zabala; Lluís, Pesquer; Ivette, Serral; Joan, Masó; Cristina, Domingo; Maria, Serra Josep; Jordi, Cristóbal; Chris, Hain; Martha, Anderson; Juanjo, Vidal

2014-05-01

Combining climate dynamics and land cover at a relative coarse resolution allows a very interesting approach to global studies, because in many cases these studies are based on a quite high temporal resolution, but they may be limited in large areas like the Mediterranean. However, the current availability of long time series of Landsat imagery and spatially detailed surface climate models allow thinking on global databases improving the results of mapping in areas with a complex history of landscape dynamics, characterized by fragmentation, or areas where relief creates intricate climate patterns that can be hardly monitored or modeled at coarse spatial resolutions. DinaCliVe (supported by the Spanish Government and ERDF, and by the Catalan Government, under grants CGL2012-33927 and SGR2009-1511) is the name of the project that aims analyzing land cover and land use dynamics as well as vegetation stress, with a particular emphasis on droughts, and the role that climate variation may have had in such phenomena. To meet this objective is proposed to design a massive database from long time series of Landsat land cover products (grouped in quinquennia) and monthly climate records (in situ climate data) for the Iberian Peninsula (582,000 km2). The whole area encompasses 47 Landsat WRS2 scenes (Landsat 4 to 8 missions, from path 197 to 202 and from rows 30 to 34), and 52 Landsat WRS1 scenes (for the previous Landsat missions, 212 to 221 and 30 to 34). Therefore, a mean of 49.5 Landsat scenes, 8 quinquennia per scene and a about 6 dates per quinquennium , from 1975 to present, produces around 2376 sets resulting in 30 m x 30 m spatial resolution maps. Each set is composed by highly coherent geometric and radiometric multispectral and multitemporal (to account for phenology) imagery as well as vegetation and wetness indexes, and several derived topographic information (about 10 Tbyte of data). Furthermore, on the basis on a previous work: the Digital Climatic Atlas of the Iberian Peninsula, spatio-temporal surface climate data has been generated with a monthly resolution (from January 1950 to December 2010) through a multiple regression model and residuals spatial interpolation using geographic variables (altitude, latitude and continentality) and solar radiation (only in the case of temperatures). This database includes precipitation, mean minimum and mean maximum air temperature and mean air temperature, improving the previous one by using the ASTER GDEM at 30 m spatial resolution, by deepening to a monthly resolution and by increasing the number of meteorological stations used, representing a total amount of 0.7 Tbyte of data. An initial validation shows accuracies higher than 85 % for land cover maps and an RMS of 1.2 ºC, 1.6 ºC and 22 mm for mean and extreme temperatures, and for precipitation, respectively. This amount of new detailed data for the Iberian Peninsula framework will be used to study the spatial direction, velocity and acceleration of the tendencies related to climate change, land cover and tree line dynamics. A global analysis using all these datasets will try to discriminate the climatic signal when interpreted together with anthropogenic driving forces. Ultimately, getting ready for massive database computation and analysis will improve predictions for global models that will require of the growing high-resolution information available.

Satellite-based high-resolution PM2.5 estimation over the Beijing-Tianjin-Hebei region of China using an improved geographically and temporally weighted regression model.

PubMed

He, Qingqing; Huang, Bo

2018-05-01

Ground fine particulate matter (PM2.5) concentrations at high spatial resolution are substantially required for determining the population exposure to PM2.5 over densely populated urban areas. However, most studies for China have generated PM2.5 estimations at a coarse resolution (≥10 km) due to the limitation of satellite aerosol optical depth (AOD) product in spatial resolution. In this study, the 3 km AOD data fused using the Moderate Resolution Imaging Spectroradiometer (MODIS) Collection 6 AOD products were employed to estimate the ground PM2.5 concentrations over the Beijing-Tianjin-Hebei (BTH) region of China from January 2013 to December 2015. An improved geographically and temporally weighted regression (iGTWR) model incorporating seasonal characteristics within the data was developed, which achieved comparable performance to the standard GTWR model for the days with paired PM 2.5 - AOD samples (Cross-validation (CV) R 2  = 0.82) and showed better predictive power for the days without PM 2.5 - AOD pairs (the R 2 increased from 0.24 to 0.46 in CV). Both iGTWR and GTWR (CV R 2  = 0.84) significantly outperformed the daily geographically weighted regression model (CV R 2  = 0.66). Also, the fused 3 km AODs improved data availability and presented more spatial gradients, thereby enhancing model performance compared with the MODIS original 3/10 km AOD product. As a result, ground PM2.5 concentrations at higher resolution were well represented, allowing, e.g., short-term pollution events and long-term PM2.5 trend to be identified, which, in turn, indicated that concerns about air pollution in the BTH region are justified despite its decreasing trend from 2013 to 2015. Copyright © 2018 Elsevier Ltd. All rights reserved.

Examining fire-induced forest changes using novel remote sensing technique: a case study in a mixed pine-oak forest

NASA Astrophysics Data System (ADS)

Meng, R.; Wu, J.; Zhao, F. R.; Cook, B.; Hanavan, R. P.; Serbin, S.

2017-12-01

Fire-induced forest changes has long been a central focus for forest ecology and global carbon cycling studies, and is becoming a pressing issue for global change biologists particularly with the projected increases in the frequency and intensity of fire with a warmer and drier climate. Compared with time-consuming and labor intensive field-based approaches, remote sensing offers a promising way to efficiently assess fire effects and monitor post-fire forest responses across a range of spatial and temporal scales. However, traditional remote sensing studies relying on simple optical spectral indices or coarse resolution imagery still face a number of technical challenges, including confusion or contamination of the signal by understory dynamics and mixed pixels with moderate to coarse resolution data (>= 30 m). As such, traditional remote sensing may not meet the increasing demand for more ecologically-meaningful monitoring and quantitation of fire-induced forest changes. Here we examined the use of novel remote sensing technique (i.e. airborne imaging spectroscopy and LiDAR measurement, very high spatial resolution (VHR) space-borne multi-spectral measurement, and high temporal-spatial resolution UAS-based (Unmanned Aerial System) imagery), in combination with field and phenocam measurements to map forest burn severity across spatial scales, quantify crown-scale post-fire forest recovery rate, and track fire-induced phenology changes in the burned areas. We focused on a mixed pine-oak forest undergoing multiple fire disturbances for the past several years in Long Island, NY as a case study. We demonstrate that (1) forest burn severity mapping from VHR remote sensing measurement can capture crown-scale heterogeneous fire patterns over large-scale; (2) the combination of VHR optical and structural measurements provides an efficient means to remotely sense species-level post-fire forest responses; (3) the UAS-based remote sensing enables monitoring of fire-induced forest phenology changes at unprecedented temporal and spatial resolutions. This work provides the methodological approach monitor fire-induced forest changes in a spatially explicit manner across scales, with important implications for fire-related forest management and for constraining/benchmarking process models.

Estimating Evaporative Fraction From Readily Obtainable Variables in Mangrove Forests of the Everglades, U.S.A.

NASA Technical Reports Server (NTRS)

Yagci, Ali Levent; Santanello, Joseph A.; Jones, John; Barr, Jordan

2017-01-01

A remote-sensing-based model to estimate evaporative fraction (EF) the ratio of latent heat (LE; energy equivalent of evapotranspiration -ET-) to total available energy from easily obtainable remotely-sensed and meteorological parameters is presented. This research specifically addresses the shortcomings of existing ET retrieval methods such as calibration requirements of extensive accurate in situ micro-meteorological and flux tower observations, or of a large set of coarse-resolution or model-derived input datasets. The trapezoid model is capable of generating spatially varying EF maps from standard products such as land surface temperature [T(sub s)] normalized difference vegetation index (NDVI)and daily maximum air temperature [T(sub a)]. The 2009 model results were validated at an eddy-covariance tower (Fluxnet ID: US-Skr) in the Everglades using T(sub s) and NDVI products from Landsat as well as the Moderate Resolution Imaging Spectroradiometer (MODIS) sensors. Results indicate that the model accuracy is within the range of instrument uncertainty, and is dependent on the spatial resolution and selection of end-members (i.e. wet/dry edge). The most accurate results were achieved with the T(sub s) from Landsat relative to the T(sub s) from the MODIS flown on the Terra and Aqua platforms due to the fine spatial resolution of Landsat (30 m). The bias, mean absolute percentage error and root mean square percentage error were as low as 2.9% (3.0%), 9.8% (13.3%), and 12.1% (16.1%) for Landsat-based (MODIS-based) EF estimates, respectively. Overall, this methodology shows promise for bridging the gap between temporally limited ET estimates at Landsat scales and more complex and difficult to constrain global ET remote-sensing models.

Estimating evaporative fraction from readily obtainable variables in mangrove forests of the Everglades, U.S.A.

USGS Publications Warehouse

Yagci, Ali Levent; Santanello, Joseph A.; Jones, John W.; Barr, Jordan G.

2017-01-01

A remote-sensing-based model to estimate evaporative fraction (EF) – the ratio of latent heat (LE; energy equivalent of evapotranspiration –ET–) to total available energy – from easily obtainable remotely-sensed and meteorological parameters is presented. This research specifically addresses the shortcomings of existing ET retrieval methods such as calibration requirements of extensive accurate in situ micrometeorological and flux tower observations or of a large set of coarse-resolution or model-derived input datasets. The trapezoid model is capable of generating spatially varying EF maps from standard products such as land surface temperature (Ts) normalized difference vegetation index (NDVI) and daily maximum air temperature (Ta). The 2009 model results were validated at an eddy-covariance tower (Fluxnet ID: US-Skr) in the Everglades using Ts and NDVI products from Landsat as well as the Moderate Resolution Imaging Spectroradiometer (MODIS) sensors. Results indicate that the model accuracy is within the range of instrument uncertainty, and is dependent on the spatial resolution and selection of end-members (i.e. wet/dry edge). The most accurate results were achieved with the Ts from Landsat relative to the Ts from the MODIS flown on the Terra and Aqua platforms due to the fine spatial resolution of Landsat (30 m). The bias, mean absolute percentage error and root mean square percentage error were as low as 2.9% (3.0%), 9.8% (13.3%), and 12.1% (16.1%) for Landsat-based (MODIS-based) EF estimates, respectively. Overall, this methodology shows promise for bridging the gap between temporally limited ET estimates at Landsat scales and more complex and difficult to constrain global ET remote-sensing models.

Modeling respiration from snags and coarse woody debris before and after an invasive gypsy moth disturbance

Treesearch

Heidi J. Renninger; Nicholas Carlo; Kenneth L. Clark; Karina V.R. Schäfer

2014-01-01

Although snags and coarse woody debris are a small component of ecosystem respiration, disturbances can significantly increase the mass and respiration from these carbon (C) pools. The objectives of this study were to (1) measure respiration rates of snags and coarse woody debris throughout the year in a forest previously defoliated by gypsy moths, (2) develop models...

A Field Guide to Extra-Tropical Cyclones: Comparing Models to Observations

NASA Astrophysics Data System (ADS)

Bauer, M.

2008-12-01

Climate it is said is the accumulation of weather. And weather is not the concern of climate models. Justification for this latter sentiment has long hidden behind coarse model resolutions and blunt validation tools based on climatological maps and the like. The spatial-temporal resolutions of today's models and observations are converging onto meteorological scales however, which means that with the correct tools we can test the largely unproven assumption that climate model weather is correct enough, or at least lacks perverting biases, such that its accumulation does in fact result in a robust climate prediction. Towards this effort we introduce a new tool for extracting detailed cyclone statistics from climate model output. These include the usual cyclone distribution statistics (maps, histograms), but also adaptive cyclone- centric composites. We have also created a complementary dataset, The MAP Climatology of Mid-latitude Storminess (MCMS), which provides a detailed 6 hourly assessment of the areas under the influence of mid- latitude cyclones based on Reanalysis products. Using this we then extract complimentary composites from sources such as ISCCP and GPCP to create a large comparative dataset for climate model validation. A demonstration of the potential usefulness of these tools will be shown. dime.giss.nasa.gov/mcms/mcms.html

Scenarios of land use and land cover change in the conterminous United States: Utilizing the special report on emission scenarios at ecoregional scales

USGS Publications Warehouse

Sleeter, Benjamin M.; Sohl, Terry L.; Bouchard, Michelle A.; Reker, Ryan R.; Soulard, Christopher E.; Acevedo, William; Griffith, Glenn E.; Sleeter, Rachel R.; Auch, Roger F.; Sayler, Kristi L.; Prisley, Stephen; Zhu, Zhi-Liang

2012-01-01

Global environmental change scenarios have typically provided projections of land use and land cover for a relatively small number of regions or using a relatively coarse resolution spatial grid, and for only a few major sectors. The coarseness of global projections, in both spatial and thematic dimensions, often limits their direct utility at scales useful for environmental management. This paper describes methods to downscale projections of land-use and land-cover change from the Intergovernmental Panel on Climate Change's Special Report on Emission Scenarios to ecological regions of the conterminous United States, using an integrated assessment model, land-use histories, and expert knowledge. Downscaled projections span a wide range of future potential conditions across sixteen land use/land cover sectors and 84 ecological regions, and are logically consistent with both historical measurements and SRES characteristics. Results appear to provide a credible solution for connecting regionalized projections of land use and land cover with existing downscaled climate scenarios, under a common set of scenario-based socioeconomic assumptions.

High-resolution assessment of land use impacts on biodiversity in life cycle assessment using species habitat suitability models.

PubMed

de Baan, Laura; Curran, Michael; Rondinini, Carlo; Visconti, Piero; Hellweg, Stefanie; Koellner, Thomas

2015-02-17

Agricultural land use is a main driver of global biodiversity loss. The assessment of land use impacts in decision-support tools such as life cycle assessment (LCA) requires spatially explicit models, but existing approaches are either not spatially differentiated or modeled at very coarse scales (e.g., biomes or ecoregions). In this paper, we develop a high-resolution (900 m) assessment method for land use impacts on biodiversity based on habitat suitability models (HSM) of mammal species. This method considers potential land use effects on individual species, and impacts are weighted by the species' conservation status and global rarity. We illustrate the method using a case study of crop production in East Africa, but the underlying HSMs developed by the Global Mammals Assessment are available globally. We calculate impacts of three major export crops and compare the results to two previously developed methods (focusing on local and regional impacts, respectively) to assess the relevance of the methodological innovations proposed in this paper. The results highlight hotspots of product-related biodiversity impacts that help characterize the links among agricultural production, consumption, and biodiversity loss.

Coarse-graining errors and numerical optimization using a relative entropy framework.

PubMed

Chaimovich, Aviel; Shell, M Scott

2011-03-07

The ability to generate accurate coarse-grained models from reference fully atomic (or otherwise "first-principles") ones has become an important component in modeling the behavior of complex molecular systems with large length and time scales. We recently proposed a novel coarse-graining approach based upon variational minimization of a configuration-space functional called the relative entropy, S(rel), that measures the information lost upon coarse-graining. Here, we develop a broad theoretical framework for this methodology and numerical strategies for its use in practical coarse-graining settings. In particular, we show that the relative entropy offers tight control over the errors due to coarse-graining in arbitrary microscopic properties, and suggests a systematic approach to reducing them. We also describe fundamental connections between this optimization methodology and other coarse-graining strategies like inverse Monte Carlo, force matching, energy matching, and variational mean-field theory. We suggest several new numerical approaches to its minimization that provide new coarse-graining strategies. Finally, we demonstrate the application of these theoretical considerations and algorithms to a simple, instructive system and characterize convergence and errors within the relative entropy framework. © 2011 American Institute of Physics.

Atmospheric rivers in a hierarchy of high resolution global climate models: results from the UPSCALE simulation campaign

NASA Astrophysics Data System (ADS)

Demory, Marie-Estelle; Vidale, Pier-Luigi; Schiemann, Reinhard; Roberts, Malcolm; Mizielinski, Matthew

2014-05-01

A traceable hierarchy of global climate models (based on the Met Office Unified Model, GA3 formulation), with mesh sizes ranging from 130km to 25km, has been developed in order to study the impact of improved representation of small-scale processes on the mean climate, its variability and extremes. Five-member ensembles of atmosphere-only integrations were completed at these resolutions, each 27 years in length, using both present day forcing and a future climate scenario. These integrations, collectively known as the "UPSCALE campaign", were completed using time provided by the European PrACE project on supercomputer HERMIT (HLRS Stuttgart). A wide variety of processes are being studied to assess these integrations, in particular with regards to the role of resolution. It has been shown that the relatively coarse resolution of atmospheric general circulation models (AGCMs) limits their ability to represent moisture transport from ocean to land. Understanding of the processes underlying this observed improvement with higher resolution remains insufficient. Atmospheric Rivers (ARs) are an important process of moisture transport onto land in mid-latitude eddies and have been shown by Lavers et al. (2012) to be involved in creating the moisture supply that sustains extreme precipitation events. We investigated the ability of a state-of-the art climate model to represent the location, frequency and 3D structure of atmospheric rivers affecting Western Europe, with a focus on the UK. We show that the climatology of atmospheric rivers, in particular frequency, is underrepresented in the GCM at standard resolution and that this is slightly improved at high resolution (25km): our results are in better agreement with reanalysis data, even if sizable biases remain. The three-dimensional structure of the atmospheric rivers is also more credibly represented at high-resolution. Some aspects of the relationship between the improved simulation in current climate conditions, and how this impacts on changes in the future climate, with much larger atmospheric moisture availability, will also be discussed. In particular, we aim to quantify the relative roles of atmospheric transport and increased precipitation rates in the higher quantiles.

Constructing Optimal Coarse-Grained Sites of Huge Biomolecules by Fluctuation Maximization.

PubMed

Li, Min; Zhang, John Zenghui; Xia, Fei

2016-04-12

Coarse-grained (CG) models are valuable tools for the study of functions of large biomolecules on large length and time scales. The definition of CG representations for huge biomolecules is always a formidable challenge. In this work, we propose a new method called fluctuation maximization coarse-graining (FM-CG) to construct the CG sites of biomolecules. The defined residual in FM-CG converges to a maximal value as the number of CG sites increases, allowing an optimal CG model to be rigorously defined on the basis of the maximum. More importantly, we developed a robust algorithm called stepwise local iterative optimization (SLIO) to accelerate the process of coarse-graining large biomolecules. By means of the efficient SLIO algorithm, the computational cost of coarse-graining large biomolecules is reduced to within the time scale of seconds, which is far lower than that of conventional simulated annealing. The coarse-graining of two huge systems, chaperonin GroEL and lengsin, indicates that our new methods can coarse-grain huge biomolecular systems with up to 10,000 residues within the time scale of minutes. The further parametrization of CG sites derived from FM-CG allows us to construct the corresponding CG models for studies of the functions of huge biomolecular systems.

Tabulation as a high-resolution alternative to coarse-graining protein interactions: Initial application to virus capsid subunits

NASA Astrophysics Data System (ADS)

Spiriti, Justin; Zuckerman, Daniel M.

2015-12-01

Traditional coarse-graining based on a reduced number of interaction sites often entails a significant sacrifice of chemical accuracy. As an alternative, we present a method for simulating large systems composed of interacting macromolecules using an energy tabulation strategy previously devised for small rigid molecules or molecular fragments [S. Lettieri and D. M. Zuckerman, J. Comput. Chem. 33, 268-275 (2012); J. Spiriti and D. M. Zuckerman, J. Chem. Theory Comput. 10, 5161-5177 (2014)]. We treat proteins as rigid and construct distance and orientation-dependent tables of the interaction energy between them. Arbitrarily detailed interactions may be incorporated into the tables, but as a proof-of-principle, we tabulate a simple α-carbon Gō-like model for interactions between dimeric subunits of the hepatitis B viral capsid. This model is significantly more structurally realistic than previous models used in capsid assembly studies. We are able to increase the speed of Monte Carlo simulations by a factor of up to 6700 compared to simulations without tables, with only minimal further loss in accuracy. To obtain further enhancement of sampling, we combine tabulation with the weighted ensemble (WE) method, in which multiple parallel simulations are occasionally replicated or pruned in order to sample targeted regions of a reaction coordinate space. In the initial study reported here, WE is able to yield pathways of the final ˜25% of the assembly process.

Mineralogy of the Martian Surface: Crustal Composition to Surface Processes

NASA Technical Reports Server (NTRS)

Mustard, John F.

1997-01-01

The main results have been published in the refereed literature, and thus this report serves mainly to summarize the main findings and indicate where the detailed papers may be found. Reflectance spectroscopy has been an important tool for determining the mineralogic makeup of the near surface materials on Mars. Analysis of the spectral properties of the surface have demonstrated that these attributes are heterogeneous from the coarse spatial but high spectral resolution spectra obtained with telescopes to the high spatial but coarse spectral resolution Viking data (e.g. Arvidson et al., 1989; McEwen et al., 1989). Low albedo materials show strong evidence for the presence of igneous rock forming minerals while bright materials are generally interpreted as representing heavily altered crustal material. How these materials are physically and genetically related has important implications for understanding martian surface properties and processes, weathering histories and paths, and crustal composition. The goal of this research is to characterize the physical and chemical properties of low albedo materials on Mars and the relationship to intermediate and high albedo materials. Fundamental science questions to be pursued include: (1) the observed distributions of soil, rock, and dust a function of physical processes or weathering and (2) different stages of chemical and physical alteration fresh rock identified. These objectives will be addressed through detailed analyses and modelling of the ISM data from the Phobos-2 mission with corroborating evidence of surface composition and properties provided by data from the Viking mission.

Spatial consistency of chinook salmon redd distribution within and among years in the Cowlitz River, Washington

USGS Publications Warehouse

Klett, Katherine J.C.; Torgersen, Christian E.; Henning, Julie A.; Murray, Christopher J.

2013-01-01

We investigated the spawning patterns of Chinook Salmon Oncorhynchus tshawytscha on the lower Cowlitz River, Washington, using a unique set of fine- and coarse-scale temporal and spatial data collected during biweekly aerial surveys conducted in 1991–2009 (500 m to 28 km resolution) and 2008–2009 (100–500 m resolution). Redd locations were mapped from a helicopter during 2008 and 2009 with a hand-held GPS synchronized with in-flight audio recordings. We examined spatial patterns of Chinook Salmon redd reoccupation among and within years in relation to segment-scale geomorphic features. Chinook Salmon spawned in the same sections each year with little variation among years. On a coarse scale, 5 years (1993, 1998, 2000, 2002, and 2009) were compared for reoccupation. Redd locations were highly correlated among years. Comparisons on a fine scale (500 m) between 2008 and 2009 also revealed a high degree of consistency among redd locations. On a finer temporal scale, we observed that Chinook Salmon spawned in the same sections during the first and last week. Redds were clustered in both 2008 and 2009. Regression analysis with a generalized linear model at the 500-m scale indicated that river kilometer and channel bifurcation were positively associated with redd density, whereas sinuosity was negatively associated with redd density. Collecting data on specific redd locations with a GPS during aerial surveys was logistically feasible and cost effective and greatly enhanced the spatial precision of Chinook Salmon spawning surveys.

Spatial Downscaling of Alien Species Presences using Machine Learning

NASA Astrophysics Data System (ADS)

Daliakopoulos, Ioannis N.; Katsanevakis, Stelios; Moustakas, Aristides

2017-07-01

Large scale, high-resolution data on alien species distributions are essential for spatially explicit assessments of their environmental and socio-economic impacts, and management interventions for mitigation. However, these data are often unavailable. This paper presents a method that relies on Random Forest (RF) models to distribute alien species presence counts at a finer resolution grid, thus achieving spatial downscaling. A sufficiently large number of RF models are trained using random subsets of the dataset as predictors, in a bootstrapping approach to account for the uncertainty introduced by the subset selection. The method is tested with an approximately 8×8 km2 grid containing floral alien species presence and several indices of climatic, habitat, land use covariates for the Mediterranean island of Crete, Greece. Alien species presence is aggregated at 16×16 km2 and used as a predictor of presence at the original resolution, thus simulating spatial downscaling. Potential explanatory variables included habitat types, land cover richness, endemic species richness, soil type, temperature, precipitation, and freshwater availability. Uncertainty assessment of the spatial downscaling of alien species’ occurrences was also performed and true/false presences and absences were quantified. The approach is promising for downscaling alien species datasets of larger spatial scale but coarse resolution, where the underlying environmental information is available at a finer resolution than the alien species data. Furthermore, the RF architecture allows for tuning towards operationally optimal sensitivity and specificity, thus providing a decision support tool for designing a resource efficient alien species census.

Quantifying Information Gain from Dynamic Downscaling Experiments

NASA Astrophysics Data System (ADS)

Tian, Y.; Peters-Lidard, C. D.

2015-12-01

Dynamic climate downscaling experiments are designed to produce information at higher spatial and temporal resolutions. Such additional information is generated from the low-resolution initial and boundary conditions via the predictive power of the physical laws. However, errors and uncertainties in the initial and boundary conditions can be propagated and even amplified to the downscaled simulations. Additionally, the limit of predictability in nonlinear dynamical systems will also damper the information gain, even if the initial and boundary conditions were error-free. Thus it is critical to quantitatively define and measure the amount of information increase from dynamic downscaling experiments, to better understand and appreciate their potentials and limitations. We present a scheme to objectively measure the information gain from such experiments. The scheme is based on information theory, and we argue that if a downscaling experiment is to exhibit value, it has to produce more information than what can be simply inferred from information sources already available. These information sources include the initial and boundary conditions, the coarse resolution model in which the higher-resolution models are embedded, and the same set of physical laws. These existing information sources define an "information threshold" as a function of the spatial and temporal resolution, and this threshold serves as a benchmark to quantify the information gain from the downscaling experiments, or any other approaches. For a downscaling experiment to shown any value, the information has to be above this threshold. A recent NASA-supported downscaling experiment is used as an example to illustrate the application of this scheme.

Experiments with the Mesoscale Atmospheric Simulation System (MASS) using the synthetic relative humidity

NASA Technical Reports Server (NTRS)

Chang, Chia-Bo

1994-01-01

This study is intended to examine the impact of the synthetic relative humidity on the model simulation of mesoscale convective storm environment. The synthetic relative humidity is derived from the National Weather Services surface observations, and non-conventional sources including aircraft, radar, and satellite observations. The latter sources provide the mesoscale data of very high spatial and temporal resolution. The synthetic humidity data is used to complement the National Weather Services rawinsonde observations. It is believed that a realistic representation of initial moisture field in a mesoscale model is critical for the model simulation of thunderstorm development, and the formation of non-convective clouds as well as their effects on the surface energy budget. The impact will be investigated based on a real-data case study using the mesoscale atmospheric simulation system developed by Mesoscale Environmental Simulations Operations, Inc. The mesoscale atmospheric simulation system consists of objective analysis and initialization codes, and the coarse-mesh and fine-mesh dynamic prediction models. Both models are a three dimensional, primitive equation model containing the essential moist physics for simulating and forecasting mesoscale convective processes in the atmosphere. The modeling system is currently implemented at the Applied Meteorology Unit, Kennedy Space Center. Two procedures involving the synthetic relative humidity to define the model initial moisture fields are considered. It is proposed to perform several short-range (approximately 6 hours) comparative coarse-mesh simulation experiments with and without the synthetic data. They are aimed at revealing the model sensitivities should allow us both to refine the specification of the observational requirements, and to develop more accurate and efficient objective analysis schemes. The goal is to advance the MASS (Mesoscal Atmospheric Simulation System) modeling expertise so that the model output can provide reliable guidance for thunderstorm forecasting.

A Hybrid Coarse-graining Approach for Lipid Bilayers at Large Length and Time Scales

PubMed Central

Ayton, Gary S.; Voth, Gregory A.

2009-01-01

A hybrid analytic-systematic (HAS) coarse-grained (CG) lipid model is developed and employed in a large-scale simulation of a liposome. The methodology is termed hybrid analyticsystematic as one component of the interaction between CG sites is variationally determined from the multiscale coarse-graining (MS-CG) methodology, while the remaining component utilizes an analytic potential. The systematic component models the in-plane center of mass interaction of the lipids as determined from an atomistic-level MD simulation of a bilayer. The analytic component is based on the well known Gay-Berne ellipsoid of revolution liquid crystal model, and is designed to model the highly anisotropic interactions at a highly coarse-grained level. The HAS CG approach is the first step in an “aggressive” CG methodology designed to model multi-component biological membranes at very large length and timescales. PMID:19281167

An experimentally-informed coarse-grained 3-site-per-nucleotide model of DNA: Structure, thermodynamics, and dynamics of hybridization

PubMed Central

Hinckley, Daniel M.; Freeman, Gordon S.; Whitmer, Jonathan K.; de Pablo, Juan J.

2013-01-01

A new 3-Site-Per-Nucleotide coarse-grained model for DNA is presented. The model includes anisotropic potentials between bases involved in base stacking and base pair interactions that enable the description of relevant structural properties, including the major and minor grooves. In an improvement over available coarse-grained models, the correct persistence length is recovered for both ssDNA and dsDNA, allowing for simulation of non-canonical structures such as hairpins. DNA melting temperatures, measured for duplexes and hairpins by integrating over free energy surfaces generated using metadynamics simulations, are shown to be in quantitative agreement with experiment for a variety of sequences and conditions. Hybridization rate constants, calculated using forward-flux sampling, are also shown to be in good agreement with experiment. The coarse-grained model presented here is suitable for use in biological and engineering applications, including nucleosome positioning and DNA-templated engineering. PMID:24116642

Coarse-grained simulation of DNA using LAMMPS : An implementation of the oxDNA model and its applications.

PubMed

Henrich, Oliver; Gutiérrez Fosado, Yair Augusto; Curk, Tine; Ouldridge, Thomas E

2018-05-10

During the last decade coarse-grained nucleotide models have emerged that allow us to study DNA and RNA on unprecedented time and length scales. Among them is oxDNA, a coarse-grained, sequence-specific model that captures the hybridisation transition of DNA and many structural properties of single- and double-stranded DNA. oxDNA was previously only available as standalone software, but has now been implemented into the popular LAMMPS molecular dynamics code. This article describes the new implementation and analyses its parallel performance. Practical applications are presented that focus on single-stranded DNA, an area of research which has been so far under-investigated. The LAMMPS implementation of oxDNA lowers the entry barrier for using the oxDNA model significantly, facilitates future code development and interfacing with existing LAMMPS functionality as well as other coarse-grained and atomistic DNA models.

REMO poor man's reanalysis

NASA Astrophysics Data System (ADS)

Ries, H.; Moseley, C.; Haensler, A.

2012-04-01

Reanalyses depict the state of the atmosphere as a best fit in space and time of many atmospheric observations in a physically consistent way. By essentially solving the data assimilation problem in a very accurate manner, reanalysis results can be used as reference for model evaluation procedures and as forcing data sets for different model applications. However, the spatial resolution of the most common and accepted reanalysis data sets (e.g. JRA25, ERA-Interim) ranges from approximately 124 km to 80 km. This resolution is too coarse to simulate certain small scale processes often associated with extreme events. In addition, many models need higher resolved forcing data ( e.g. land-surface models, tools for identifying and assessing hydrological extremes). Therefore we downscaled the ERA-Interim reanalysis over the EURO-CORDEX-Domain for the time period 1989 to 2008 to a horizontal resolution of approximately 12 km. The downscaling is performed by nudging REMO-simulations to lower and lateral boundary conditions of the reanalysis, and by re-initializing the model every 24 hours ("REMO in forecast mode"). In this study the three following questions will be addressed: 1.) Does the REMO poor man's reanalysis meet the needs (accuracy, extreme value distribution) in validation and forcing? 2.) What lessons can be learned about the model used for downscaling? As REMO is used as a pure downscaling procedure, any systematic deviations from ERA-Interim result from poor process modelling but not from predictability limitations. 3.) How much small scale information generated by the downscaling model is lost with frequent initializations? A comparison to a simulation that is performed in climate mode will be presented.

Development and application of GIS-based PRISM integration through a plugin approach

NASA Astrophysics Data System (ADS)

Lee, Woo-Seop; Chun, Jong Ahn; Kang, Kwangmin

2014-05-01

A PRISM (Parameter-elevation Regressions on Independent Slopes Model) QGIS-plugin was developed on Quantum GIS platform in this study. This Quantum GIS plugin system provides user-friendly graphic user interfaces (GUIs) so that users can obtain gridded meteorological data of high resolutions (1 km × 1 km). Also, this software is designed to run on a personal computer so that it does not require an internet access or a sophisticated computer system. This module is a user-friendly system that a user can generate PRISM data with ease. The proposed PRISM QGIS-plugin is a hybrid statistical-geographic model system that uses coarse resolution datasets (APHRODITE datasets in this study) with digital elevation data to generate the fine-resolution gridded precipitation. To validate the performance of the software, Prek Thnot River Basin in Kandal, Cambodia is selected for application. Overall statistical analysis shows promising outputs generated by the proposed plugin. Error measures such as RMSE (Root Mean Square Error) and MAPE (Mean Absolute Percentage Error) were used to evaluate the performance of the developed PRISM QGIS-plugin. Evaluation results using RMSE and MAPE were 2.76 mm and 4.2%, respectively. This study suggested that the plugin can be used to generate high resolution precipitation datasets for hydrological and climatological studies at a watershed where observed weather datasets are limited.

Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties

NASA Astrophysics Data System (ADS)

Fogarty, Aoife C.; Potestio, Raffaello; Kremer, Kurt

2015-05-01

A fully atomistic modelling of many biophysical and biochemical processes at biologically relevant length- and time scales is beyond our reach with current computational resources, and one approach to overcome this difficulty is the use of multiscale simulation techniques. In such simulations, when system properties necessitate a boundary between resolutions that falls within the solvent region, one can use an approach such as the Adaptive Resolution Scheme (AdResS), in which solvent particles change their resolution on the fly during the simulation. Here, we apply the existing AdResS methodology to biomolecular systems, simulating a fully atomistic protein with an atomistic hydration shell, solvated in a coarse-grained particle reservoir and heat bath. Using as a test case an aqueous solution of the regulatory protein ubiquitin, we first confirm the validity of the AdResS approach for such systems, via an examination of protein and solvent structural and dynamical properties. We then demonstrate how, in addition to providing a computational speedup, such a multiscale AdResS approach can yield otherwise inaccessible physical insights into biomolecular function. We use our methodology to show that protein structure and dynamics can still be correctly modelled using only a few shells of atomistic water molecules. We also discuss aspects of the AdResS methodology peculiar to biomolecular simulations.

On testing two major cumulus parameterization schemes using the CSU Regional Atmospheric Modeling System

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

Kao, C.Y.J.; Bossert, J.E.; Winterkamp, J.

1993-10-01

One of the objectives of the DOE ARM Program is to improve the parameterization of clouds in general circulation models (GCMs). The approach taken in this research is two fold. We first examine the behavior of cumulus parameterization schemes by comparing their performance against the results from explicit cloud simulations with state-of-the-art microphysics. This is conducted in a two-dimensional (2-D) configuration of an idealized convective system. We then apply the cumulus parameterization schemes to realistic three-dimensional (3-D) simulations over the western US for a case with an enormous amount of convection in an extended period of five days. In themore » 2-D idealized tests, cloud effects are parameterized in the ``parameterization cases`` with a coarse resolution, whereas each cloud is explicitly resolved by the ``microphysics cases`` with a much finer resolution. Thus, the capability of the parameterization schemes in reproducing the growth and life cycle of a convective system can then be evaluated. These 2-D tests will form the basis for further 3-D realistic simulations which have the model resolution equivalent to that of the next generation of GCMs. Two cumulus parameterizations are used in this research: the Arakawa-Schubert (A-S) scheme (Arakawa and Schubert, 1974) used in Kao and Ogura (1987) and the Kuo scheme (Kuo, 1974) used in Tremback (1990). The numerical model used in this research is the Regional Atmospheric Modeling System (RAMS) developed at Colorado State University (CSU).« less

Diabatic modification of potential vorticity in extratropical cyclones

NASA Astrophysics Data System (ADS)

Chagnon, J.

2012-12-01

Representation of diabatic processes and their impact on extratropical cyclones is a likely source of skill degradation in operational numerical weather prediction systems. This investigation examines the source, structure, and magnitude of diabatic potential vorticity (PV) anomalies generated by small-scale and parameterized processes in both mesoscale and global model simulations of extratropical cyclones in the North Atlantic. Simulations of several cold season extratropical storms have been performed using the Met Office Unified Model. Several cases simulated were drawn from the DIAbatic influences on Mesoscale structures in ExTratropical cyclones (DIAMET) observational campaign during which the National Environmental Research Council (NERC) Facility for Airborne Atmospheric Measurement (FAAM) BAE-146 aircraft was deployed. The influence of specific modelled processes was quantified using a set of tracers, each of which represents a history of the PV contributed by a specific segment of the model (e.g., boundary-layer scheme, cloud microphysics, convection scheme , radiation, etc.). This presentation will highlight several differences and similarities in high and low resolution simulations. For example, in high resolution simulations, tropopause folds are sharpened by a tripolar PV anomaly arising from the convection, boundary-layer, and microphysics schemes; this structure is not present in coarser global model simulations. However, a dipole of PV straddling the tropopause is diagnosed in both coarse- and fine-resolution simulations. The PV dipole, which is strongly influenced by long-wave radiative cooling, increases the gradient of PV near the tropopause and therefore modifies the characteristics Rossby wave propagation and moist baroclinic wave growth.

Spatial Downscaling of TRMM Precipitation using MODIS product in the Korean Peninsula

NASA Astrophysics Data System (ADS)

Cho, H.; Choi, M.

2013-12-01

Precipitation is a major driving force in the water cycle. But, it is difficult to provide spatially distributed precipitation data from isolated individual in situ. The Tropical Rainfall Monitoring Mission (TRMM) satellite can provide precipitation data with relatively coarse spatial resolution (0.25° scale) at daily basis. In order to overcome the coarse spatial resolution of TRMM precipitation products, we conducted a downscaling technique using a scaling parameter from the Moderate Resolution Imaging Spectroradiometers (MODIS) sensor. In this study, statistical relations between precipitation estimates derived from the TRMM satellite and the normalized difference vegetation index (NDVI) which is obtained from the MODIS sensor in TERRA satellite are found for different spatial scales on the Korean peninsula in northeast Asia. We obtain the downscaled precipitation mapping by regression equation between yearly TRMM precipitations values and annual average NDVI aggregating 1km to 25 degree. The downscaled precipitation is validated using time series of the ground measurements precipitation dataset provided by Korea Meteorological Organization (KMO) from 2002 to 2005. To improve the spatial downscaling of precipitation, we will conduct a study about correlation between precipitation and land surface temperature, perceptible water and other hydrological parameters.

Mode Tracker for Mode-Hop-Free Operation of a Laser

NASA Technical Reports Server (NTRS)

Wysocki, Gerard; Tittel, Frank K.; Curl, Robert F.

2010-01-01

A mode-tracking system that includes a mode-controlling subsystem has been incorporated into an external-cavity (EC) quantum cascade laser that operates in a mid-infrared wavelength range. The mode-tracking system makes it possible to perform mode-hop-free wavelength scans, as needed for high-resolution spectroscopy and detection of trace gases. The laser includes a gain chip, a beam-collimating lens, and a diffraction grating. The grating is mounted on a platform, the position of which can be varied to effect independent control of the EC length and the grating angle. The position actuators include a piezoelectric stage for translation control and a motorized stage for coarse rotation control equipped with a piezoelectric actuator for fine rotation control. Together, these actuators enable control of the EC length over a range of about 90 m with a resolution of 0.9 nm, and control of the grating angle over a coarse-tuning range of +/-6.3deg and a fine-tuning range of +/-520 microrad with a resolution of 10 nrad. A mirror mounted on the platform with the grating assures always the same direction of the output laser beam.

An 11-year global gridded aerosol optical thickness reanalysis (v1.0) for atmospheric and climate sciences

NASA Astrophysics Data System (ADS)

Lynch, Peng; Reid, Jeffrey S.; Westphal, Douglas L.; Zhang, Jianglong; Hogan, Timothy F.; Hyer, Edward J.; Curtis, Cynthia A.; Hegg, Dean A.; Shi, Yingxi; Campbell, James R.; Rubin, Juli I.; Sessions, Walter R.; Turk, F. Joseph; Walker, Annette L.

2016-04-01

While stand alone satellite and model aerosol products see wide utilization, there is a significant need in numerous atmospheric and climate applications for a fused product on a regular grid. Aerosol data assimilation is an operational reality at numerous centers, and like meteorological reanalyses, aerosol reanalyses will see significant use in the near future. Here we present a standardized 2003-2013 global 1 × 1° and 6-hourly modal aerosol optical thickness (AOT) reanalysis product. This data set can be applied to basic and applied Earth system science studies of significant aerosol events, aerosol impacts on numerical weather prediction, and electro-optical propagation and sensor performance, among other uses. This paper describes the science of how to develop and score an aerosol reanalysis product. This reanalysis utilizes a modified Navy Aerosol Analysis and Prediction System (NAAPS) at its core and assimilates quality controlled retrievals of AOT from the Moderate Resolution Imaging Spectroradiometer (MODIS) on Terra and Aqua and the Multi-angle Imaging SpectroRadiometer (MISR) on Terra. The aerosol source functions, including dust and smoke, were regionally tuned to obtain the best match between the model fine- and coarse-mode AOTs and the Aerosol Robotic Network (AERONET) AOTs. Other model processes, including deposition, were tuned to minimize the AOT difference between the model and satellite AOT. Aerosol wet deposition in the tropics is driven with satellite-retrieved precipitation, rather than the model field. The final reanalyzed fine- and coarse-mode AOT at 550 nm is shown to have good agreement with AERONET observations, with global mean root mean square error around 0.1 for both fine- and coarse-mode AOTs. This paper includes a discussion of issues particular to aerosol reanalyses that make them distinct from standard meteorological reanalyses, considerations for extending such a reanalysis outside of the NASA A-Train era, and examples of how the aerosol reanalysis can be applied or fused with other model or remote sensing products. Finally, the reanalysis is evaluated in comparison with other available studies of aerosol trends, and the implications of this comparison are discussed.

Development studies towards an 11-year global gridded aerosol optical thickness reanalysis for climate and applied applications

NASA Astrophysics Data System (ADS)

Lynch, P.; Reid, J. S.; Westphal, D. L.; Zhang, J.; Hogan, T. F.; Hyer, E. J.; Curtis, C. A.; Hegg, D. A.; Shi, Y.; Campbell, J. R.; Rubin, J. I.; Sessions, W. R.; Turk, F. J.; Walker, A. L.

2015-12-01

While standalone satellite and model aerosol products see wide utilization, there is a significant need in numerous climate and applied applications for a fused product on a regular grid. Aerosol data assimilation is an operational reality at numerous centers, and like meteorological reanalyses, aerosol reanalyses will see significant use in the near future. Here we present a standardized 2003-2013 global 1° × 1° and 6 hourly modal aerosol optical thickness (AOT) reanalysis product. This dataset can be applied to basic and applied earth system science studies of significant aerosol events, aerosol impacts on numerical weather prediction, and electro-optical propagation and sensor performance, among other uses. This paper describes the science of how to develop and score an aerosol reanalysis product. This reanalysis utilizes a modified Navy Aerosol Analysis and Prediction System (NAAPS) at its core and assimilates quality controlled retrievals of AOT from the Moderate Resolution Imaging Spectroradiometer (MODIS) on Terra and Aqua and the Multi-angle Imaging SpectroRadiometer (MISR) on Terra. The aerosol source functions, including dust and smoke, were regionally tuned to obtain the best match between the model fine and coarse mode AOTs and the Aerosol Robotic Network (AERONET) AOTs. Other model processes, including deposition, were tuned to minimize the AOT difference between the model and satellite AOT. Aerosol wet deposition in the tropics is driven with satellite retrieved precipitation, rather than the model field. The final reanalyzed fine and coarse mode AOT at 550 nm is shown to have good agreement with AERONET observations, with global mean root mean square error around 0.1 for both fine and coarse mode AOTs. This paper includes a discussion of issues particular to aerosol reanalyses that make them distinct from standard meteorological reanalyses, considerations for extending such a reanalysis outside of the NASA A-Train era, and examples of how the aerosol reanalysis can be applied or fused with other model or remote sensing products. Finally, the reanalysis is evaluated in comparison with other available studies of aerosol trends, and the implications of this comparison are discussed.

An approach for retrieval of atmospheric trace gases CO II, CH 4 and CO from the future Canadian micro earth observation satellite (MEOS)

NASA Astrophysics Data System (ADS)

Trishchenko, Alexander P.; Khlopenkov, Konstantin V.; Wang, Shusen; Luo, Yi; Kruzelecky, Roman V.; Jamroz, Wes; Kroupnik, Guennadi

2007-10-01

Among all trace gases, the carbon dioxide and methane provide the largest contribution to the climate radiative forcing and together with carbon monoxide also to the global atmospheric carbon budget. New Micro Earth Observation Satellite (MEOS) mission is proposed to obtain information about these gases along with some other mission's objectives related to studying cloud and aerosol interactions. The miniature suit of instruments is proposed to make measurements with reduced spectral resolution (1.2nm) over wide NIR range 0.9μm to 2.45μm and with high spectral resolution (0.03nm) for three selected regions: oxygen A-band, 1.5μm-1.7μm band and 2.2μm-2.4μm band. It is also planned to supplement the spectrometer measurements with high spatial resolution imager for detailed characterization of cloud and surface albedo distribution within spectrometer field of view. The approaches for cloud/clear-sky identification and column retrievals of above trace gases are based on differential absorption technique and employ the combination of coarse and high-resolution spectral data. The combination of high and coarse resolution spectral data is beneficial for better characterization of surface spectral albedo and aerosol effects. An additional capability for retrieval of the vertical distribution amounts is obtained from the combination of nadir and limb measurements. Oxygen A-band path length will be used for normalization of trace gas retrievals.

Synergistic Use of SMOS Measurements with SMAP Derived and In-situ Data over Valencia Anchor Station by Using Downscaling Technique

NASA Astrophysics Data System (ADS)

Ansari Amoli, Abdolreza; Lopez-Baeza, Ernesto; Mahmoudi, Ali; Mahmoodi, Ali

2016-07-01

Synergistic Use of SMOS Measurements with SMAP Derived and In-situ Data over the Valencia Anchor Station by Using a Downscaling Technique Ansari Amoli, A.(1),Mahmoodi, A.(2) and Lopez-Baeza, E.(3) (1) Department of Earth Physics and Thermodynamics, University of Valencia, Spain (2) Centre d'Etudes Spatiales de la BIOsphère (CESBIO), France (3) Department of Earth Physics and Thermodynamics, University of Valencia, Spain Soil moisture products from active sensors are not operationally available. Passive remote sensors return more accurate estimates, but their resolution is much coarser. One solution to overcome this problem is the synergy between radar and radiometric data by using disaggregation (downscaling) techniques. Few studies have been conducted to merge high resolution radar and coarse resolution radiometer measurements in order to obtain an intermediate resolution product. In this paper we present an algorithm using combined available SMAP (Soil Moisture Active and Passive) radar and SMOS (Soil Moisture and Ocean Salinity) radiometer measurements to estimate surface soil moisture over the Valencia Anchor Station (VAS), Valencia, Spain. The goal is to combine the respective attributes of the radar and radiometer observations to estimate soil moisture at a resolution of 3 km. The algorithm disaggregates the coarse resolution SMOS (15 km) radiometer brightness temperature product based on the spatial variation of the high resolution SMAP (3 km) radar backscatter. The disaggregation of the radiometer brightness temperature uses the radar backscatter spatial patterns within the radiometer footprint that are inferred from the radar measurements. For this reason the radar measurements within the radiometer footprint are scaled by parameters that are derived from the temporal fluctuations in the radar and radiometer measurements.

Study of key factors influencing dust emission: An assessment of GEOS-Chem and DEAD simulations with observations

NASA Astrophysics Data System (ADS)

Bartlett, Kevin S.

Mineral dust aerosols can impact air quality, climate change, biological cycles, tropical cyclone development and flight operations due to reduced visibility. Dust emissions are primarily limited to the extensive arid regions of the world, yet can negatively impact local to global scales, and are extremely complex to model accurately. Within this dissertation, the Dust Entrainment And Deposition (DEAD) model was adapted to run, for the first known time, using high temporal (hourly) and spatial (0.3°x0.3°) resolution data to methodically interrogate the key parameters and factors influencing global dust emissions. The dependence of dust emissions on key parameters under various conditions has been quantified and it has been shown that dust emissions within DEAD are largely determined by wind speeds, vegetation extent, soil moisture and topographic depressions. Important findings were that grid degradation from 0.3ºx0.3º to 1ºx1º, 2ºx2.5º, and 4°x5° of key meteorological, soil, and surface input parameters greatly reduced emissions approximately 13% and 29% and 64% respectively, as a result of the loss of sub grid detail within these key parameters at coarse grids. After running high resolution DEAD emissions globally for 2 years, two severe dust emission cases were chosen for an in-depth investigation of the root causes of the events and evaluation of the 2°x2.5° Goddard Earth Observing System (GEOS)-Chem and 0.3°x0.3° DEAD model capabilities to simulate the events: one over South West Asia (SWA) in June 2008 and the other over the Middle East in July 2009. The 2 year lack of rain over SWA preceding June 2008 with a 43% decrease in mean rainfall, yielded less than normal plant growth, a 28% increase in Aerosol Optical Depth (AOD), and a 24% decrease in Meteorological Aerodrome Report (METAR) observed visibility (VSBY) compared to average years. GEOS-Chem captured the observed higher AOD over SWA in June 2008. More detailed comparisons of GEOS-Chem predicted AOD and visibility over SWA with those observed at surface stations and from satellites revealed overall success of the model, although substantial regional differences exist. Within the extended drought, the study area was zoomed into the Middle East (ME) for July 2009 where multi-grid DEAD dust emissions using hourly CFSR meteorological input were compared with observations. The high resolution input yielded the best spatial and temporal dust patterns compared with Defense Meteorological Satellite Program (DMSP), Moderate Resolution Imaging Spectroradiometer (MODIS) and METAR VSBY observations and definitively revealed Syria as a major dust source for the region. The coarse resolution dust emissions degraded or missed daily dust emissions entirely. This readily showed that the spatial scale degradation of the input data can significantly impair DEAD dust emissions and offers a strong argument for adapting higher resolution dust emission schemes into future global models for improvements of dust simulations.

Development of a hybrid 3-D hydrological model to simulate hillslopes and the regional unconfined aquifer system in Earth system models

NASA Astrophysics Data System (ADS)

Hazenberg, P.; Broxton, P. D.; Brunke, M.; Gochis, D.; Niu, G. Y.; Pelletier, J. D.; Troch, P. A. A.; Zeng, X.

2015-12-01

The terrestrial hydrological system, including surface and subsurface water, is an essential component of the Earth's climate system. Over the past few decades, land surface modelers have built one-dimensional (1D) models resolving the vertical flow of water through the soil column for use in Earth system models (ESMs). These models generally have a relatively coarse model grid size (~25-100 km) and only account for sub-grid lateral hydrological variations using simple parameterization schemes. At the same time, hydrologists have developed detailed high-resolution (~0.1-10 km grid size) three dimensional (3D) models and showed the importance of accounting for the vertical and lateral redistribution of surface and subsurface water on soil moisture, the surface energy balance and ecosystem dynamics on these smaller scales. However, computational constraints have limited the implementation of the high-resolution models for continental and global scale applications. The current work presents a hybrid-3D hydrological approach is presented, where the 1D vertical soil column model (available in many ESMs) is coupled with a high-resolution lateral flow model (h2D) to simulate subsurface flow and overland flow. H2D accounts for both local-scale hillslope and regional-scale unconfined aquifer responses (i.e. riparian zone and wetlands). This approach was shown to give comparable results as those obtained by an explicit 3D Richards model for the subsurface, but improves runtime efficiency considerably. The h3D approach is implemented for the Delaware river basin, where Noah-MP land surface model (LSM) is used to calculated vertical energy and water exchanges with the atmosphere using a 10km grid resolution. Noah-MP was coupled within the WRF-Hydro infrastructure with the lateral 1km grid resolution h2D model, for which the average depth-to-bedrock, hillslope width function and soil parameters were estimated from digital datasets. The ability of this h3D approach to simulate the hydrological dynamics of the Delaware River basin will be assessed by comparing the model results (both hydrological performance and numerical efficiency) with the standard setup of the NOAH-MP model and a high-resolution (1km) version of NOAH-MP, which also explicitly accounts for lateral subsurface and overland flow.

A Comparison of Mangrove Canopy Height Using Multiple Independent Measurements from Land, Air, and Space.

PubMed

Lagomasino, David; Fatoyinbo, Temilola; Lee, SeungKuk; Feliciano, Emanuelle; Trettin, Carl; Simard, Marc

2016-04-01

Canopy height is one of the strongest predictors of biomass and carbon in forested ecosystems. Additionally, mangrove ecosystems represent one of the most concentrated carbon reservoirs that are rapidly degrading as a result of deforestation, development, and hydrologic manipulation. Therefore, the accuracy of Canopy Height Models (CHM) over mangrove forest can provide crucial information for monitoring and verification protocols. We compared four CHMs derived from independent remotely sensed imagery and identified potential errors and bias between measurement types. CHMs were derived from three spaceborne datasets; Very-High Resolution (VHR) stereophotogrammetry, TerraSAR-X add-on for Digital Elevation Measurement, and Shuttle Radar Topography Mission (TanDEM-X), and lidar data which was acquired from an airborne platform. Each dataset exhibited different error characteristics that were related to spatial resolution, sensitivities of the sensors, and reference frames. Canopies over 10 m were accurately predicted by all CHMs while the distributions of canopy height were best predicted by the VHR CHM. Depending on the guidelines and strategies needed for monitoring and verification activities, coarse resolution CHMs could be used to track canopy height at regional and global scales with finer resolution imagery used to validate and monitor critical areas undergoing rapid changes.

Effective connectivity in the neural network underlying coarse-to-fine categorization of visual scenes. A dynamic causal modeling study.

PubMed

Kauffmann, Louise; Chauvin, Alan; Pichat, Cédric; Peyrin, Carole

2015-10-01

According to current models of visual perception scenes are processed in terms of spatial frequencies following a predominantly coarse-to-fine processing sequence. Low spatial frequencies (LSF) reach high-order areas rapidly in order to activate plausible interpretations of the visual input. This triggers top-down facilitation that guides subsequent processing of high spatial frequencies (HSF) in lower-level areas such as the inferotemporal and occipital cortices. However, dynamic interactions underlying top-down influences on the occipital cortex have never been systematically investigated. The present fMRI study aimed to further explore the neural bases and effective connectivity underlying coarse-to-fine processing of scenes, particularly the role of the occipital cortex. We used sequences of six filtered scenes as stimuli depicting coarse-to-fine or fine-to-coarse processing of scenes. Participants performed a categorization task on these stimuli (indoor vs. outdoor). Firstly, we showed that coarse-to-fine (compared to fine-to-coarse) sequences elicited stronger activation in the inferior frontal gyrus (in the orbitofrontal cortex), the inferotemporal cortex (in the fusiform and parahippocampal gyri), and the occipital cortex (in the cuneus). Dynamic causal modeling (DCM) was then used to infer effective connectivity between these regions. DCM results revealed that coarse-to-fine processing resulted in increased connectivity from the occipital cortex to the inferior frontal gyrus and from the inferior frontal gyrus to the inferotemporal cortex. Critically, we also observed an increase in connectivity strength from the inferior frontal gyrus to the occipital cortex, suggesting that top-down influences from frontal areas may guide processing of incoming signals. The present results support current models of visual perception and refine them by emphasizing the role of the occipital cortex as a cortical site for feedback projections in the neural network underlying coarse-to-fine processing of scenes. Copyright © 2015 Elsevier Inc. All rights reserved.

Precise Aperture-Dependent Motion Compensation with Frequency Domain Fast Back-Projection Algorithm.

PubMed

Zhang, Man; Wang, Guanyong; Zhang, Lei

2017-10-26

Precise azimuth-variant motion compensation (MOCO) is an essential and difficult task for high-resolution synthetic aperture radar (SAR) imagery. In conventional post-filtering approaches, residual azimuth-variant motion errors are generally compensated through a set of spatial post-filters, where the coarse-focused image is segmented into overlapped blocks concerning the azimuth-dependent residual errors. However, image domain post-filtering approaches, such as precise topography- and aperture-dependent motion compensation algorithm (PTA), have difficulty of robustness in declining, when strong motion errors are involved in the coarse-focused image. In this case, in order to capture the complete motion blurring function within each image block, both the block size and the overlapped part need necessary extension leading to degeneration of efficiency and robustness inevitably. Herein, a frequency domain fast back-projection algorithm (FDFBPA) is introduced to deal with strong azimuth-variant motion errors. FDFBPA disposes of the azimuth-variant motion errors based on a precise azimuth spectrum expression in the azimuth wavenumber domain. First, a wavenumber domain sub-aperture processing strategy is introduced to accelerate computation. After that, the azimuth wavenumber spectrum is partitioned into a set of wavenumber blocks, and each block is formed into a sub-aperture coarse resolution image via the back-projection integral. Then, the sub-aperture images are straightforwardly fused together in azimuth wavenumber domain to obtain a full resolution image. Moreover, chirp-Z transform (CZT) is also introduced to implement the sub-aperture back-projection integral, increasing the efficiency of the algorithm. By disusing the image domain post-filtering strategy, robustness of the proposed algorithm is improved. Both simulation and real-measured data experiments demonstrate the effectiveness and superiority of the proposal.

Modelling ventricular fibrillation coarseness during cardiopulmonary resuscitation by mixed effects stochastic differential equations.

PubMed

Gundersen, Kenneth; Kvaløy, Jan Terje; Eftestøl, Trygve; Kramer-Johansen, Jo

2015-10-15

For patients undergoing cardiopulmonary resuscitation (CPR) and being in a shockable rhythm, the coarseness of the electrocardiogram (ECG) signal is an indicator of the state of the patient. In the current work, we show how mixed effects stochastic differential equations (SDE) models, commonly used in pharmacokinetic and pharmacodynamic modelling, can be used to model the relationship between CPR quality measurements and ECG coarseness. This is a novel application of mixed effects SDE models to a setting quite different from previous applications of such models and where using such models nicely solves many of the challenges involved in analysing the available data. Copyright © 2015 John Wiley & Sons, Ltd.

Modeling mesoscale eddies

NASA Astrophysics Data System (ADS)

Canuto, V. M.; Dubovikov, M. S.

Mesoscale eddies are not resolved in coarse resolution ocean models and must be modeled. They affect both mean momentum and scalars. At present, no generally accepted model exists for the former; in the latter case, mesoscales are modeled with a bolus velocity u∗ to represent a sink of mean potential energy. However, comparison of u∗(model) vs. u∗ (eddy resolving code, [J. Phys. Ocean. 29 (1999) 2442]) has shown that u∗(model) is incomplete and that additional terms, "unrelated to thickness source or sinks", are required. Thus far, no form of the additional terms has been suggested. To describe mesoscale eddies, we employ the Navier-Stokes and scalar equations and a turbulence model to treat the non-linear interactions. We then show that the problem reduces to an eigenvalue problem for the mesoscale Bernoulli potential. The solution, which we derive in analytic form, is used to construct the momentum and thickness fluxes. In the latter case, the bolus velocity u∗ is found to contain two types of terms: the first type entails the gradient of the mean potential vorticity and represents a positive contribution to the production of mesoscale potential energy; the second type of terms, which is new, entails the velocity of the mean flow and represents a negative contribution to the production of mesoscale potential energy, or equivalently, a backscatter process whereby a fraction of the mesoscale potential energy is returned to the original reservoir of mean potential energy. This type of terms satisfies the physical description of the additional terms given by [J. Phys. Ocean. 29 (1999) 2442]. The mesoscale flux that enters the momentum equations is also contributed by two types of terms of the same physical nature as those entering the thickness flux. The potential vorticity flux is also shown to contain two types of terms: the first is of the gradient-type while the other terms entail the velocity of the mean flow. An expression is derived for the mesoscale diffusivity κM and for the mesoscale kinetic energy K in terms of the large-scale fields. The predicted κM( z) agrees with that of heuristic models. The complete mesoscale model in isopycnal coordinates is presented in Appendix D and can be used in coarse resolution ocean global circulation models.

Merging fine and coarse resolution remotely sensed data with household-level survey data to evaluate small-scale vulnerability to climate change in West Africa

NASA Astrophysics Data System (ADS)

Grace, K.; Husak, G. J.

2016-12-01

Climate change, in the form of increasingly variable temperatures and rainfall, is anticipated to have potentially dramatic impacts on subsistence agricultural communities throughout the world. Poor people who depend on rainfall to produce food or to produce products to sell to buy food are expected to be particularly vulnerable to the negative impacts associated with climate change. Poor people have extremely limited resources that can be used to cope with weather events and these resources are even more strained when the individuals live in poor countries. While poor and rural producers are most likely to face high levels of vulnerability to food insecurity due to their dependence on rainfall for their agricultural production, annual agricultural censuses are virtually non-existent. Surveying all of the producers in a country each year is extremely costly owing to difficulties in accessing farmers and the costs associated with extensive surveys. The result, however, is very limited information on the spatial and temporal variation in production and the resulting impacts on micro-scale food insecurity and livelihood stability. In this project we use a combination of fine and coarse resolution remotely sensed data ( 1m data, 250m NDVI data and 10km rainfall data, and others) and recently collected survey data from the World Bank to estimate agricultural and land use characteristics at a fine spatial scale in Burkina Faso, Mali and Niger. The analysis will produce estimates of cultivated area that incorporate spatially dynamic climate and vegetation data but that also account for the variation in agricultural practices associated with the different ethnic and religious groups within each country. The survey data will help to calibrate the models and will also serve as a way to validate the statistical models used to estimate on the ground agricultural practices. The models will then be used to evaluate fine-scale agricultural response to climate change in the form of drying and warming.

A Synopsis of Global Mapping of Freshwater Habitats and Biodiversity: Implications for Conservation

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

McManamay, Ryan A.; Griffiths, Natalie A.; DeRolph, Christopher R.

Accurately mapping freshwater habitats and biodiversity at high-resolutions across the globe is essential for assessing the vulnerability and threats to freshwater organisms and prioritizing conservation efforts. Since the 2000s, extensive efforts have been devoted to mapping global freshwater habitats (rivers, lakes, and wetlands), the spatial representation of which has changed dramatically over time with new geospatial data products and improved remote sensing technologies. Some of these mapping efforts, however, are still coarse representations of actual conditions. Likewise, the resolution and scope of global freshwater biodiversity compilation efforts have also increased, but are yet to mirror the spatial resolution and fidelitymore » of mapped freshwater environments. In our synopsis, we find that efforts to map freshwater habitats have been conducted independently of those for freshwater biodiversity; subsequently, there is little congruence in the spatial representation and resolution of the two efforts. We suggest that global species distribution models are needed to fill this information gap; however, limiting data on habitat characteristics at scales that complement freshwater habitats has prohibited global high-resolution biogeography efforts. Emerging research trends, such as mapping habitat alteration in freshwater ecosystems and trait biogeography, show great promise in mechanistically linking global anthropogenic stressors to freshwater biodiversity decline and extinction risk.« less

Developing a high-resolution regional atmospheric reanalysis for Australia

NASA Astrophysics Data System (ADS)

White, Christopher; Fox-Hughes, Paul; Su, Chun-Hsu; Jakob, Dörte; Kociuba, Greg; Eisenberg, Nathan; Steinle, Peter; Harris, Rebecca; Corney, Stuart; Love, Peter; Remenyi, Tomas; Chladil, Mark; Bally, John; Bindoff, Nathan

2017-04-01

A dynamically consistent, long-term atmospheric reanalysis can be used to support high-quality assessments of environmental risk and likelihood of extreme events. Most reanalyses are presently based on coarse-scale global systems that are not suitable for regional assessments in fire risk, water and natural resources, amongst others. The Australian Bureau of Meteorology is currently working to close this gap by producing a high-resolution reanalysis over the Australian and New Zealand region to construct a sequence of atmospheric conditions at sub-hourly intervals over the past 25 years from 1990. The Australia reanalysis consists of a convective-scale analysis nested within a 12 km regional-scale reanalysis, which is bounded by a coarse-scale ERA-Interim reanalysis that provides the required boundary and initial conditions. We use an unchanging atmospheric modelling suite based on the UERRA system used at the UK Met Office and the more recent version of the Bureau of Meteorology's operational numerical prediction model used in ACCESS-R (Australian Community Climate and Earth-System Simulator-Regional system). An advanced (4-dimensional variational) data assimilation scheme is used to optimally combine model physics with multiple observations from aircrafts, sondes, surface observations and satellites to create a best estimate of state of the atmosphere over a 6-hour moving window. This analysis is in turn used to drive a higher-resolution (1.5 km) downscaling model over selected subdomains within Australia, currently eastern New South Wales and Tasmania, with the capability to support this anywhere in the Australia-New Zealand domain. The temporal resolution of the gridded analysis fields for both the regional and higher-resolution subdomains are generally one hour, with many fields such as 10 m winds and 2 m temperatures available every 10 minutes. The reanalysis also produces many other variables that include wind, temperature, moisture, pressure, cloud cover, precipitation, evaporation, soil water, and energy fluxes. In this presentation, we report on the implementation of the Australia regional reanalysis and results from first stages of the project, with a focus on the Tasmanian subdomain. An initial benchmarking 1.5 km data set - referred to as the 'Initial Analysis' - has been constructed over the subdomains consisting of regridded and harmonised analysis and short-term forecast fields from the operational ACCESS-C model using the past 5 years (2011-2015) of archived data. Evaluation of the Initial Analysis against surface observations from automatic weather stations indicate changes in model skills over time that may be attributed to changes in NWP and assimilation systems, and model cycling frequency. Preliminary evaluations of the reanalysis across Tasmania and its inter-comparisons with the Initial Analysis and the ERA-Interim reanalysis products will be presented, including some features across the Tasmanian subdomain such as means and extremes of analysed weather variables. Finally, we describe a number of applications across Tasmania of the reanalysis of immediate interest to meteorologists, fire and landscape managers and other members of the emergency management community, including the use of the data to create post-processed fields such as soil dryness, tornados and fire danger indices for forest fire danger risk assessment, including a climatology of Continuous Haines Index.

High-resolution downscaling for hydrological management

NASA Astrophysics Data System (ADS)

Ulbrich, Uwe; Rust, Henning; Meredith, Edmund; Kpogo-Nuwoklo, Komlan; Vagenas, Christos

2017-04-01

Hydrological modellers and water managers require high-resolution climate data to model regional hydrologies and how these may respond to future changes in the large-scale climate. The ability to successfully model such changes and, by extension, critical infrastructure planning is often impeded by a lack of suitable climate data. This typically takes the form of too-coarse data from climate models, which are not sufficiently detailed in either space or time to be able to support water management decisions and hydrological research. BINGO (Bringing INnovation in onGOing water management; ) aims to bridge the gap between the needs of hydrological modellers and planners, and the currently available range of climate data, with the overarching aim of providing adaptation strategies for climate change-related challenges. Producing the kilometre- and sub-daily-scale climate data needed by hydrologists through continuous simulations is generally computationally infeasible. To circumvent this hurdle, we adopt a two-pronged approach involving (1) selective dynamical downscaling and (2) conditional stochastic weather generators, with the former presented here. We take an event-based approach to downscaling in order to achieve the kilometre-scale input needed by hydrological modellers. Computational expenses are minimized by identifying extremal weather patterns for each BINGO research site in lower-resolution simulations and then only downscaling to the kilometre-scale (convection permitting) those events during which such patterns occur. Here we (1) outline the methodology behind the selection of the events, and (2) compare the modelled precipitation distribution and variability (preconditioned on the extremal weather patterns) with that found in observations.

A coarse-grained model of the effective interaction for charged amino acid residues and its application to formation of GCN4-pLI tetramer

NASA Astrophysics Data System (ADS)

Kawaguchi, Kazutomo; Nakagawa, Satoshi; Kurniawan, Isman; Kodama, Koichi; Arwansyah, Muhammad Saleh; Nagao, Hidemi

2018-03-01

We present a simple coarse-grained model of the effective interaction for charged amino acid residues, such as Glu and Lys, in a water solvent. The free-energy profile as a function of the distance between two charged amino acid side-chain analogues in an explicit water solvent is calculated with all-atom molecular dynamics simulation and thermodynamic integration method. The calculated free-energy profile is applied to the coarse-grained potential of the effective interaction between two amino acid residues. The Langevin dynamics simulations with our coarse-grained potential are performed for association of a small protein complex, GCN4-pLI tetramer. The tetramer conformation reproduced by our coarse-grained model is similar to the X-ray crystallographic structure. We show that the effective interaction between charged amino acid residues stabilises association and orientation of protein complex. We also investigate the association pathways of GCN4-pLI tetramer.

Nonlinear evolution of coarse-grained quantum systems with generalized purity constraints

NASA Astrophysics Data System (ADS)

Burić, Nikola

2010-12-01

Constrained quantum dynamics is used to propose a nonlinear dynamical equation for pure states of a generalized coarse-grained system. The relevant constraint is given either by the generalized purity or by the generalized invariant fluctuation, and the coarse-grained pure states correspond to the generalized coherent, i.e. generalized nonentangled states. Open system model of the coarse-graining is discussed. It is shown that in this model and in the weak coupling limit the constrained dynamical equations coincide with an equation for pointer states, based on Hilbert-Schmidt distance, that was previously suggested in the context of the decoherence theory.

Preparation of Entangled Polymer Melts of Various Architecture for Coarse-Grained Models

DTIC Science & Technology

2011-09-01

Simulator ( LAMMPS ). This report presents a theory overview and a manual how to use the method. 15. SUBJECT TERMS Ammunition, coarse-grained model...polymer builder, LAMMPS 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT UU 18. NUMBER OF PAGES 26 19a. NAME OF RESPONSIBLE PERSON...scale Atomic/Molecular Massively Parallel Simulator ( LAMMPS ). Gel is an in house written C program of coarse- grained polymer builder, and LAMMPS is

Model reduction for agent-based social simulation: coarse-graining a civil violence model.

PubMed

Zou, Yu; Fonoberov, Vladimir A; Fonoberova, Maria; Mezic, Igor; Kevrekidis, Ioannis G

2012-06-01

Agent-based modeling (ABM) constitutes a powerful computational tool for the exploration of phenomena involving emergent dynamic behavior in the social sciences. This paper demonstrates a computer-assisted approach that bridges the significant gap between the single-agent microscopic level and the macroscopic (coarse-grained population) level, where fundamental questions must be rationally answered and policies guiding the emergent dynamics devised. Our approach will be illustrated through an agent-based model of civil violence. This spatiotemporally varying ABM incorporates interactions between a heterogeneous population of citizens [active (insurgent), inactive, or jailed] and a population of police officers. Detailed simulations exhibit an equilibrium punctuated by periods of social upheavals. We show how to effectively reduce the agent-based dynamics to a stochastic model with only two coarse-grained degrees of freedom: the number of jailed citizens and the number of active ones. The coarse-grained model captures the ABM dynamics while drastically reducing the computation time (by a factor of approximately 20).

Model reduction for agent-based social simulation: Coarse-graining a civil violence model

NASA Astrophysics Data System (ADS)

Zou, Yu; Fonoberov, Vladimir A.; Fonoberova, Maria; Mezic, Igor; Kevrekidis, Ioannis G.

2012-06-01

Agent-based modeling (ABM) constitutes a powerful computational tool for the exploration of phenomena involving emergent dynamic behavior in the social sciences. This paper demonstrates a computer-assisted approach that bridges the significant gap between the single-agent microscopic level and the macroscopic (coarse-grained population) level, where fundamental questions must be rationally answered and policies guiding the emergent dynamics devised. Our approach will be illustrated through an agent-based model of civil violence. This spatiotemporally varying ABM incorporates interactions between a heterogeneous population of citizens [active (insurgent), inactive, or jailed] and a population of police officers. Detailed simulations exhibit an equilibrium punctuated by periods of social upheavals. We show how to effectively reduce the agent-based dynamics to a stochastic model with only two coarse-grained degrees of freedom: the number of jailed citizens and the number of active ones. The coarse-grained model captures the ABM dynamics while drastically reducing the computation time (by a factor of approximately 20).

The Aerosol Coarse Mode Initiative

NASA Astrophysics Data System (ADS)

Arnott, W. P.; Adhikari, N.; Air, D.; Kassianov, E.; Barnard, J.

2014-12-01

Many areas of the world show an aerosol volume distribution with a significant coarse mode and sometimes a dominant coarse mode. The large coarse mode is usually due to dust, but sea salt aerosol can also play an important role. However, in many field campaigns, the coarse mode tends to be ignored, because it is difficult to measure. This lack of measurements leads directly to a concomitant "lack of analysis" of this mode. Because, coarse mode aerosols can have significant effects on radiative forcing, both in the shortwave and longwave spectrum, the coarse mode -- and these forcings -- should be accounted for in atmospheric models. Forcings based only on fine mode aerosols have the potential to be misleading. In this paper we describe examples of large coarse modes that occur in areas of large aerosol loading (Mexico City, Barnard et al., 2010) as well as small loadings (Sacramento, CA; Kassianov et al., 2012; and Reno, NV). We then demonstrate that: (1) the coarse mode can contribute significantly to radiative forcing, relative to the fine mode, and (2) neglecting the coarse mode may result in poor comparisons between measurements and models. Next we describe -- in general terms -- the limitations of instrumentation to measure the coarse mode. Finally, we suggest a new initiative aimed at examining coarse mode aerosol generation mechanisms; transport and deposition; chemical composition; visible and thermal IR refractive indices; morphology; microphysical behavior when deposited on snow and ice; and specific instrumentation needs. Barnard, J. C., J. D. Fast, G. Paredes-Miranda, W. P. Arnott, and A. Laskin, 2010: Technical Note: Evaluation of the WRF-Chem "Aerosol Chemical to Aerosol Optical Properties" Module using data from the MILAGRO campaign, Atmospheric Chemistry and Physics, 10, 7325-7340. Kassianov, E. I., M. S. Pekour, and J. C. Barnard, 2012: Aerosols in Central California: Unexpectedly large contribution of coarse mode to aerosol radiative forcing, Geophys. Res. Lett., 39, L20806, doi:10.1029/2012GL053469.

The interpretation of remotely sensed cloud properties from a model paramterization perspective

NASA Technical Reports Server (NTRS)

HARSHVARDHAN; Wielicki, Bruce A.; Ginger, Kathryn M.

1994-01-01

A study has been made of the relationship between mean cloud radiative properties and cloud fraction in stratocumulus cloud systems. The analysis is of several Land Resources Satellite System (LANDSAT) images and three hourly International Satellite Cloud Climatology Project (ISCCP) C-1 data during daylight hours for two grid boxes covering an area typical of a general circulation model (GCM) grid increment. Cloud properties were inferred from the LANDSAT images using two thresholds and several pixel resolutions ranging from roughly 0.0625 km to 8 km. At the finest resolution, the analysis shows that mean cloud optical depth (or liquid water path) increases somewhat with increasing cloud fraction up to 20% cloud coverage. More striking, however, is the lack of correlation between the two quantities for cloud fractions between roughly 0.2 and 0.8. When the scene is essentially overcast, the mean cloud optical tends to be higher. Coarse resolution LANDSAT analysis and the ISCCP 8-km data show lack of correlation between mean cloud optical depth and cloud fraction for coverage less than about 90%. This study shows that there is perhaps a local mean liquid water path (LWP) associated with partly cloudy areas of stratocumulus clouds. A method has been suggested to use this property to construct the cloud fraction paramterization in a GCM when the model computes a grid-box-mean LWP.

Regional Arctic System Model (RASM): A Tool to Advance Understanding and Prediction of Arctic Climate Change at Process Scales

NASA Astrophysics Data System (ADS)

Maslowski, W.; Roberts, A.; Osinski, R.; Brunke, M.; Cassano, J. J.; Clement Kinney, J. L.; Craig, A.; Duvivier, A.; Fisel, B. J.; Gutowski, W. J., Jr.; Hamman, J.; Hughes, M.; Nijssen, B.; Zeng, X.

2014-12-01

The Arctic is undergoing rapid climatic changes, which are some of the most coordinated changes currently occurring anywhere on Earth. They are exemplified by the retreat of the perennial sea ice cover, which integrates forcing by, exchanges with and feedbacks between atmosphere, ocean and land. While historical reconstructions from Global Climate and Global Earth System Models (GC/ESMs) are in broad agreement with these changes, the rate of change in the GC/ESMs remains outpaced by observations. Reasons for that stem from a combination of coarse model resolution, inadequate parameterizations, unrepresented processes and a limited knowledge of physical and other real world interactions. We demonstrate the capability of the Regional Arctic System Model (RASM) in addressing some of the GC/ESM limitations in simulating observed seasonal to decadal variability and trends in the sea ice cover and climate. RASM is a high resolution, fully coupled, pan-Arctic climate model that uses the Community Earth System Model (CESM) framework. It uses the Los Alamos Sea Ice Model (CICE) and Parallel Ocean Program (POP) configured at an eddy-permitting resolution of 1/12° as well as the Weather Research and Forecasting (WRF) and Variable Infiltration Capacity (VIC) models at 50 km resolution. All RASM components are coupled via the CESM flux coupler (CPL7) at 20-minute intervals. RASM is an example of limited-area, process-resolving, fully coupled earth system model, which due to the additional constraints from lateral boundary conditions and nudging within a regional model domain facilitates detailed comparisons with observational statistics that are not possible with GC/ESMs. In this talk, we will emphasize the utility of RASM to understand sensitivity to variable parameter space, importance of critical processes, coupled feedbacks and ultimately to reduce uncertainty in arctic climate change projections.

Stochastic Analysis and Probabilistic Downscaling of Soil Moisture

NASA Astrophysics Data System (ADS)

Deshon, J. P.; Niemann, J. D.; Green, T. R.; Jones, A. S.

2017-12-01

Soil moisture is a key variable for rainfall-runoff response estimation, ecological and biogeochemical flux estimation, and biodiversity characterization, each of which is useful for watershed condition assessment. These applications require not only accurate, fine-resolution soil-moisture estimates but also confidence limits on those estimates and soil-moisture patterns that exhibit realistic statistical properties (e.g., variance and spatial correlation structure). The Equilibrium Moisture from Topography, Vegetation, and Soil (EMT+VS) model downscales coarse-resolution (9-40 km) soil moisture from satellite remote sensing or land-surface models to produce fine-resolution (10-30 m) estimates. The model was designed to produce accurate deterministic soil-moisture estimates at multiple points, but the resulting patterns do not reproduce the variance or spatial correlation of observed soil-moisture patterns. The primary objective of this research is to generalize the EMT+VS model to produce a probability density function (pdf) for soil moisture at each fine-resolution location and time. Each pdf has a mean that is equal to the deterministic soil-moisture estimate, and the pdf can be used to quantify the uncertainty in the soil-moisture estimates and to simulate soil-moisture patterns. Different versions of the generalized model are hypothesized based on how uncertainty enters the model, whether the uncertainty is additive or multiplicative, and which distributions describe the uncertainty. These versions are then tested by application to four catchments with detailed soil-moisture observations (Tarrawarra, Satellite Station, Cache la Poudre, and Nerrigundah). The performance of the generalized models is evaluated by comparing the statistical properties of the simulated soil-moisture patterns to those of the observations and the deterministic EMT+VS model. The versions of the generalized EMT+VS model with normally distributed stochastic components produce soil-moisture patterns with more realistic statistical properties than the deterministic model. Additionally, the results suggest that the variance and spatial correlation of the stochastic soil-moisture variations do not vary consistently with the spatial-average soil moisture.

Generating High Resolution Climate Scenarios Through Regional Climate Modelling Over Southern Africa

NASA Astrophysics Data System (ADS)

Ndhlovu, G. Z.; Woyessa, Y. E.; Vijayaraghavan, S.

2017-12-01

limate change has impacted the global environment and the Continent of Africa, especially Southern Africa, regarded as one of the most vulnerable regions in Africa, has not been spared from these impacts. Global Climate Models (GCMs) with coarse horizontal resolutions of 150-300 km do not provide sufficient details at the local basin scale due to mismatch between the size of river basins and the grid cell of the GCM. This makes it difficult to apply the outputs of GCMs directly to impact studies such as hydrological modelling. This necessitates the use of regional climate modelling at high resolutions that provide detailed information at regional and local scales to study both climate change and its impacts. To this end, an experiment was set up and conducted with PRECIS, a regional climate model, to generate climate scenarios at a high resolution of 25km for the local region in Zambezi River basin of Southern Africa. The major input data used included lateral and surface boundary conditions based on the GCMs. The data is processed, analysed and compared with CORDEX climate change project data generated for Africa. This paper, highlights the major differences of the climate scenarios generated by PRECIS Model and CORDEX Project for Africa and further gives recommendations for further research on generation of climate scenarios. The climatic variables such as precipitation and temperatures have been analysed for flood and droughts in the region. The paper also describes the setting up and running of an experiment using a high-resolution PRECIS model. In addition, a description has been made in running the model and generating the output variables on a sub basin scale. Regional climate modelling which provides information on climate change impact may lead to enhanced understanding of adaptive water resources management. Understanding the regional climate modelling results on sub basin scale is the first step in analysing complex hydrological processes and a basis for designing of adaptation and mitigation strategies in the region. Key words: Climate change, regional climate modelling, hydrological processes, extremes, scenarios [1] Corresponding author: Email:gndhlovu@cut.ac.za Tel:+27 (0) 51 507 3072

A comparative computational study of coarse-grained and all-atom water models in shock Hugoniot states

NASA Astrophysics Data System (ADS)

Min, Sa Hoon; Berkowitz, Max L.

2018-04-01

We performed molecular dynamics simulations to study how well some of the water models used in simulations describe shocked states. Water in our simulations was described using three different models. One was an often-used all-atom TIP4P/2005 model, while the other two were coarse-grained models used with the MARTINI force field: non-polarizable and polarizable MARTINI water. The all-atom model provided results in good agreement with Hugoniot curves (for data on pressure versus specific volume or, equivalently, on shock wave velocity versus "piston" velocity) describing shocked states in the whole range of pressures (up to 11 GPa) under study. If simulations of shocked states of water using coarse-grained models were performed for short time periods, we observed that data obtained for shocked states at low pressure were fairly accurate compared to experimental Hugoniot curves. Polarizable MARTINI water still provided a good description of Hugoniot curves for pressures up to 11 GPa, while the results for the non-polarizable MARTINI water substantially deviated from the Hugoniot curves. We also calculated the temperature of the Hugoniot states and observed that for TIP4P/2005 water, they were consistent with those from theoretical calculations, while both coarse-grained models predicted much higher temperatures. These high temperatures for MARTINI water can be explained by the loss of degrees of freedom due to coarse-graining procedure.

Methods for freshwater riverine input into regional ocean models

NASA Astrophysics Data System (ADS)

Herzfeld, M.

2015-06-01

The input of freshwater at the coast in regional models is a non-trivial exercise that has been studied extensively in the past. Several issues are of relevance; firstly, estuaries process water properties along their length, so that while freshwater may enter at the estuary head, it is no longer fresh at the mouth. Secondly, models create a numerical response that results in excessive upstream or offshore transport compared to what is typically observed. The cause of this has been traced to the lack of landward flow at the coast where freshwater is input. In this study we assess the performance of various methods of freshwater input in coarse resolution regional models where the estuary cannot be explicitly resolved, and present a formulation that attempts to account for upstream flow in the salt wedge and in-estuary mixing that elevates salinity at the mouth.

Conditional dissipation of scalars in homogeneous turbulence: Closure for MMC modelling

NASA Astrophysics Data System (ADS)

Wandel, Andrew P.

2013-08-01

While the mean and unconditional variance are to be predicted well by any reasonable turbulent combustion model, these are generally not sufficient for the accurate modelling of complex phenomena such as extinction/reignition. An additional criterion has been recently introduced: accurate modelling of the dissipation timescales associated with fluctuations of scalars about their conditional mean (conditional dissipation timescales). Analysis of Direct Numerical Simulation (DNS) results for a passive scalar shows that the conditional dissipation timescale is of the order of the integral timescale and smaller than the unconditional dissipation timescale. A model is proposed: the conditional dissipation timescale is proportional to the integral timescale. This model is used in Multiple Mapping Conditioning (MMC) modelling for a passive scalar case and a reactive scalar case, comparing to DNS results for both. The results show that this model improves the accuracy of MMC predictions so as to match the DNS results more closely using a relatively-coarse spatial resolution compared to other turbulent combustion models.

Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations

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

Lei, Huan; Baker, Nathan A.; Wu, Lei

2016-08-05

Thermal fluctuations cause perturbations of fluid-fluid interfaces and highly nonlinear hydrodynamics in multiphase flows. In this work, we develop a novel multiphase smoothed dissipative particle dynamics model. This model accounts for both bulk hydrodynamics and interfacial fluctuations. Interfacial surface tension is modeled by imposing a pairwise force between SDPD particles. We show that the relationship between the model parameters and surface tension, previously derived under the assumption of zero thermal fluctuation, is accurate for fluid systems at low temperature but overestimates the surface tension for intermediate and large thermal fluctuations. To analyze the effect of thermal fluctuations on surface tension,more » we construct a coarse-grained Euler lattice model based on the mean field theory and derive a semi-analytical formula to directly relate the surface tension to model parameters for a wide range of temperatures and model resolutions. We demonstrate that the present method correctly models the dynamic processes, such as bubble coalescence and capillary spectra across the interface.« less

A stochastic thermostat algorithm for coarse-grained thermomechanical modeling of large-scale soft matters: Theory and application to microfilaments

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

Li, Tong; Gu, YuanTong, E-mail: yuantong.gu@qut.edu.au

As all-atom molecular dynamics method is limited by its enormous computational cost, various coarse-grained strategies have been developed to extend the length scale of soft matters in the modeling of mechanical behaviors. However, the classical thermostat algorithm in highly coarse-grained molecular dynamics method would underestimate the thermodynamic behaviors of soft matters (e.g. microfilaments in cells), which can weaken the ability of materials to overcome local energy traps in granular modeling. Based on all-atom molecular dynamics modeling of microfilament fragments (G-actin clusters), a new stochastic thermostat algorithm is developed to retain the representation of thermodynamic properties of microfilaments at extra coarse-grainedmore » level. The accuracy of this stochastic thermostat algorithm is validated by all-atom MD simulation. This new stochastic thermostat algorithm provides an efficient way to investigate the thermomechanical properties of large-scale soft matters.« less

Monitoring interannual variation in global crop yield using long-term AVHRR and MODIS observations

NASA Astrophysics Data System (ADS)

Zhang, Xiaoyang; Zhang, Qingyuan

2016-04-01

Advanced Very High Resolution Radiometer (AVHRR) and Moderate Resolution Imaging Spectroradiometer (MODIS) data have been extensively applied for crop yield prediction because of their daily temporal resolution and a global coverage. This study investigated global crop yield using daily two band Enhanced Vegetation Index (EVI2) derived from AVHRR (1981-1999) and MODIS (2000-2013) observations at a spatial resolution of 0.05° (∼5 km). Specifically, EVI2 temporal trajectory of crop growth was simulated using a hybrid piecewise logistic model (HPLM) for individual pixels, which was used to detect crop phenological metrics. The derived crop phenology was then applied to calculate crop greenness defined as EVI2 amplitude and EVI2 integration during annual crop growing seasons, which was further aggregated for croplands in each country, respectively. The interannual variations in EVI2 amplitude and EVI2 integration were combined to correlate to the variation in cereal yield from 1982-2012 for individual countries using a stepwise regression model, respectively. The results show that the confidence level of the established regression models was higher than 90% (P value < 0.1) in most countries in the northern hemisphere although it was relatively poor in the southern hemisphere (mainly in Africa). The error in the yield predication was relatively smaller in America, Europe and East Asia than that in Africa. In the 10 countries with largest cereal production across the world, the prediction error was less than 9% during past three decades. This suggests that crop phenology-controlled greenness from coarse resolution satellite data has the capability of predicting national crop yield across the world, which could provide timely and reliable crop information for global agricultural trade and policymakers.

Structure and dynamics of the Benguela low-level coastal jet

NASA Astrophysics Data System (ADS)

Patricola, Christina M.; Chang, Ping

2017-10-01

Generations of coupled atmosphere-ocean general circulation models have been plagued by persistent warm sea surface temperature (SST) biases in the southeastern tropical Atlantic. The SST biases are most severe in the eastern boundary coastal upwelling region and are sensitive to surface wind stress and wind stress curl associated with the Benguela low-level coastal jet (BLLCJ), a southerly jet parallel to the Angola-Namibia coast. However, little has been documented about this atmospheric source of oceanic bias. Here we investigate the characteristics and dynamics of the BLLCJ using observations, reanalyses, and atmospheric model simulations. Satellite wind products and high-resolution reanalyses and models represent the BLLCJ with two near-shore maxima, one near the Angola-Benguela front (ABF) at 17.5°S, and the other near 25-27.5°S, whereas coarse resolution reanalyses and models represent the BLLCJ poorly with a single, broad, more offshore maximum. Model experiments indicate that convex coastal geometry near the ABF supports the preferred location of the BLLCJ northern maximum by supporting conditions for a hydraulic expansion fan. Intraseasonal variability of the BLLCJ is associated with large-scale variability in intensity and location of the South Atlantic subtropical high through modulation of the low-level zonal pressure gradient.

Leveraging North Carolina's QL2 Lidar to Quantify Sensitivity of National Water Model Derived Flood Inundation Extent to DEM Resolution

NASA Astrophysics Data System (ADS)

Lovette, J. P.; Lenhardt, W. C.; Blanton, B.; Duncan, J. M.; Stillwell, L.

2017-12-01

The National Water Model (NWM) has provided a novel framework for near real time flood inundation mapping across CONUS at a 10m resolution. In many regions, this spatial scale is quickly being surpassed through the collection of high resolution lidar (1 - 3m). As one of the leading states in data collection for flood inundation mapping, North Carolina is currently improving their previously available 20 ft statewide elevation product to a Quality Level 2 (QL2) product with a nominal point spacing of 0.7 meters. This QL2 elevation product increases the ground points by roughly ten times over the previous statewide lidar product, and by over 250 times when compared to the 10m NED elevation grid. When combining these new lidar data with the discharge estimates from the NWM, we can further improve statewide flood inundation maps and predictions of at-risk areas. In the context of flood risk management, these improved predictions with higher resolution elevation models consistently represent an improvement on coarser products. Additionally, the QL2 lidar also includes coarse land cover classification data for each point return, opening the possibility for expanding analysis beyond the use of only digital elevation models (e.g. improving estimates of surface roughness, identifying anthropogenic features in floodplains, characterizing riparian zones, etc.). Using the NWM Height Above Nearest Drainage approach, we compare flood inundation extents derived from multiple lidar-derived grid resolutions to assess the tradeoff between precision and computational load in North Carolina's coastal river basins. The elevation data distributed through the state's new lidar collection program provide spatial resolutions ranging from 5-50 feet, with most inland areas also including a 3 ft product. Data storage increases by almost two orders of magnitude across this range, as does processing load. In order to further assess the validity of the higher resolution elevation products on flood inundation, we examine the NWM outputs from Hurricane Matthew, which devastated southeastern North Carolina in October 2016. When compared with numerous surveyed high water marks across the coastal plain, this assessment provides insight on the impacts of grid resolution on flood inundation extent.

Generation of Well-Relaxed All-Atom Models of Large Molecular Weight Polymer Melts: A Hybrid Particle-Continuum Approach Based on Particle-Field Molecular Dynamics Simulations.

PubMed

De Nicola, Antonio; Kawakatsu, Toshihiro; Milano, Giuseppe

2014-12-09

A procedure based on Molecular Dynamics (MD) simulations employing soft potentials derived from self-consistent field (SCF) theory (named MD-SCF) able to generate well-relaxed all-atom structures of polymer melts is proposed. All-atom structures having structural correlations indistinguishable from ones obtained by long MD relaxations have been obtained for poly(methyl methacrylate) (PMMA) and poly(ethylene oxide) (PEO) melts. The proposed procedure leads to computational costs mainly related on system size rather than to the chain length. Several advantages of the proposed procedure over current coarse-graining/reverse mapping strategies are apparent. No parametrization is needed to generate relaxed structures of different polymers at different scales or resolutions. There is no need for special algorithms or back-mapping schemes to change the resolution of the models. This characteristic makes the procedure general and its extension to other polymer architectures straightforward. A similar procedure can be easily extended to the generation of all-atom structures of block copolymer melts and polymer nanocomposites.

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

Fogarty, Aoife C., E-mail: fogarty@mpip-mainz.mpg.de; Potestio, Raffaello, E-mail: potestio@mpip-mainz.mpg.de; Kremer, Kurt, E-mail: kremer@mpip-mainz.mpg.de

A fully atomistic modelling of many biophysical and biochemical processes at biologically relevant length- and time scales is beyond our reach with current computational resources, and one approach to overcome this difficulty is the use of multiscale simulation techniques. In such simulations, when system properties necessitate a boundary between resolutions that falls within the solvent region, one can use an approach such as the Adaptive Resolution Scheme (AdResS), in which solvent particles change their resolution on the fly during the simulation. Here, we apply the existing AdResS methodology to biomolecular systems, simulating a fully atomistic protein with an atomistic hydrationmore » shell, solvated in a coarse-grained particle reservoir and heat bath. Using as a test case an aqueous solution of the regulatory protein ubiquitin, we first confirm the validity of the AdResS approach for such systems, via an examination of protein and solvent structural and dynamical properties. We then demonstrate how, in addition to providing a computational speedup, such a multiscale AdResS approach can yield otherwise inaccessible physical insights into biomolecular function. We use our methodology to show that protein structure and dynamics can still be correctly modelled using only a few shells of atomistic water molecules. We also discuss aspects of the AdResS methodology peculiar to biomolecular simulations.« less

Seamless atmospheric modeling across the hydrostatic-nonhydrostatic scales - preliminary results using an unstructured-Voronoi mesh for weather prediction.

NASA Astrophysics Data System (ADS)

Skamarock, W. C.

2015-12-01

One of the major problems in atmospheric model applications is the representation of deep convection within the models; explicit simulation of deep convection on fine meshes performs much better than sub-grid parameterized deep convection on coarse meshes. Unfortunately, the high cost of explicit convective simulation has meant it has only been used to down-scale global simulations in weather prediction and regional climate applications, typically using traditional one-way interactive nesting technology. We have been performing real-time weather forecast tests using a global non-hydrostatic atmospheric model (the Model for Prediction Across Scales, MPAS) that employs a variable-resolution unstructured Voronoi horizontal mesh (nominally hexagons) to span hydrostatic to nonhydrostatic scales. The smoothly varying Voronoi mesh eliminates many downscaling problems encountered using traditional one- or two-way grid nesting. Our test weather forecasts cover two periods - the 2015 Spring Forecast Experiment conducted at the NOAA Storm Prediction Center during the month of May in which we used a 50-3 km mesh, and the PECAN field program examining nocturnal convection over the US during the months of June and July in which we used a 15-3 km mesh. An important aspect of this modeling system is that the model physics be scale-aware, particularly the deep convection parameterization. These MPAS simulations employ the Grell-Freitas scale-aware convection scheme. Our test forecasts show that the scheme produces a gradual transition in the deep convection, from the deep unstable convection being handled entirely by the convection scheme on the coarse mesh regions (dx > 15 km), to the deep convection being almost entirely explicit on the 3 km NA region of the meshes. We will present results illustrating the performance of critical aspects of the MPAS model in these tests.