Why different gas flux velocity parameterizations result in so similar flux results in the North Atlantic?

NASA Astrophysics Data System (ADS)

Piskozub, Jacek; Wróbel, Iwona

2016-04-01

The North Atlantic is a crucial region for both ocean circulation and the carbon cycle. Most of ocean deep waters are produced in the basin making it a large CO2 sink. The region, close to the major oceanographic centres has been well covered with cruises. This is why we have performed a study of net CO2 flux dependence upon the choice of gas transfer velocity k parameterization for this very region: the North Atlantic including European Arctic Seas. The study has been a part of a ESA funded OceanFlux GHG Evolution project and, at the same time, a PhD thesis (of I.W) funded by Centre of Polar Studies "POLAR-KNOW" (a project of the Polish Ministry of Science). Early results have been presented last year at EGU 2015 as a PICO presentation EGU2015-11206-1. We have used FluxEngine, a tool created within an earlier ESA funded project (OceanFlux Greenhouse Gases) to calculate the North Atlantic and global fluxes with different gas transfer velocity formulas. During the processing of the data, we have noticed that the North Atlantic results for different k formulas are more similar (in the sense of relative error) that global ones. This was true both for parameterizations using the same power of wind speed and when comparing wind squared and wind cubed parameterizations. This result was interesting because North Atlantic winds are stronger than the global average ones. Was the flux result similarity caused by the fact that the parameterizations were tuned to the North Atlantic area where many of the early cruises measuring CO2 fugacities were performed? A closer look at the parameterizations and their history showed that not all of them were based on North Atlantic data. Some of them were tuned to the South Ocean with even stronger winds while some were based on global budgets of 14C. However we have found two reasons, not reported before in the literature, for North Atlantic fluxes being more similar than global ones for different gas transfer velocity parametrizations. The first one is the fact that most of the k functions intersect close to 9 m/s, the typical North Atlantic wind speeds. The squared and cubed function need to intersect in order to have similar global averages. This way the higher values of cubic functions for strong winds are offset by higher values of squared ones for weak ones. The wind speed of the intersection has to be higher than global wind speed average because discrepancies between different parameterizations increase with the wind speed. The North Atlantic region seem to have by chance just the right average wind speeds to make all the parameterizations resulting in similar annual fluxes. However there is a second reason for smaller inter-parameterization discrepancies in the North Atlantic than many other ocean basins. The North Atlantic CO2 fluxes are downward in every month. In many regions of the world, the direction of the flux changes between the winter and summer with wind speeds much stronger in the cold season. We show, using the actual formulas that in such a case the differences between the parameterizations partly cancel out which is not the case when the flux never changes its direction. Both the mechanisms accidentally make the North Atlantic an area where the choice of k parameterizations causes very small flux uncertainty in annual fluxes. On the other hand, it makes the North Atlantic data not very useful for choosing the parameterizations most closely representing real fluxes.

Linear Response Path Following: A Molecular Dynamics Method To Simulate Global Conformational Changes of Protein upon Ligand Binding.

PubMed

Tamura, Koichi; Hayashi, Shigehiko

2015-07-14

Molecular functions of proteins are often fulfilled by global conformational changes that couple with local events such as the binding of ligand molecules. High molecular complexity of proteins has, however, been an obstacle to obtain an atomistic view of the global conformational transitions, imposing a limitation on the mechanistic understanding of the functional processes. In this study, we developed a new method of molecular dynamics (MD) simulation called the linear response path following (LRPF) to simulate a protein's global conformational changes upon ligand binding. The method introduces a biasing force based on a linear response theory, which determines a local reaction coordinate in the configuration space that represents linear coupling between local events of ligand binding and global conformational changes and thus provides one with fully atomistic models undergoing large conformational changes without knowledge of a target structure. The overall transition process involving nonlinear conformational changes is simulated through iterative cycles consisting of a biased MD simulation with an updated linear response force and a following unbiased MD simulation for relaxation. We applied the method to the simulation of global conformational changes of the yeast calmodulin N-terminal domain and successfully searched out the end conformation. The atomistically detailed trajectories revealed a sequence of molecular events that properly lead to the global conformational changes and identified key steps of local-global coupling that induce the conformational transitions. The LRPF method provides one with a powerful means to model conformational changes of proteins such as motors and transporters where local-global coupling plays a pivotal role in their functional processes.

Coordinated Parameterization Development and Large-Eddy Simulation for Marine and Arctic Cloud-Topped Boundary Layers

NASA Technical Reports Server (NTRS)

Bretherton, Christopher S.

2002-01-01

The goal of this project was to compare observations of marine and arctic boundary layers with: (1) parameterization systems used in climate and weather forecast models; and (2) two and three dimensional eddy resolving (LES) models for turbulent fluid flow. Based on this comparison, we hoped to better understand, predict, and parameterize the boundary layer structure and cloud amount, type, and thickness as functions of large scale conditions that are predicted by global climate models. The principal achievements of the project were as follows: (1) Development of a novel boundary layer parameterization for large-scale models that better represents the physical processes in marine boundary layer clouds; and (2) Comparison of column output from the ECMWF global forecast model with observations from the SHEBA experiment. Overall the forecast model did predict most of the major precipitation events and synoptic variability observed over the year of observation of the SHEBA ice camp.

Single-Column Modeling, GCM Parameterizations and Atmospheric Radiation Measurement Data

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

Somerville, R.C.J.; Iacobellis, S.F.

2005-03-18

Our overall goal is identical to that of the Atmospheric Radiation Measurement (ARM) Program: the development of new and improved parameterizations of cloud-radiation effects and related processes, using ARM data at all three ARM sites, and the implementation and testing of these parameterizations in global and regional models. To test recently developed prognostic parameterizations based on detailed cloud microphysics, we have first compared single-column model (SCM) output with ARM observations at the Southern Great Plains (SGP), North Slope of Alaska (NSA) and Topical Western Pacific (TWP) sites. We focus on the predicted cloud amounts and on a suite of radiativemore » quantities strongly dependent on clouds, such as downwelling surface shortwave radiation. Our results demonstrate the superiority of parameterizations based on comprehensive treatments of cloud microphysics and cloud-radiative interactions. At the SGP and NSA sites, the SCM results simulate the ARM measurements well and are demonstrably more realistic than typical parameterizations found in conventional operational forecasting models. At the TWP site, the model performance depends strongly on details of the scheme, and the results of our diagnostic tests suggest ways to develop improved parameterizations better suited to simulating cloud-radiation interactions in the tropics generally. These advances have made it possible to take the next step and build on this progress, by incorporating our parameterization schemes in state-of-the-art 3D atmospheric models, and diagnosing and evaluating the results using independent data. Because the improved cloud-radiation results have been obtained largely via implementing detailed and physically comprehensive cloud microphysics, we anticipate that improved predictions of hydrologic cycle components, and hence of precipitation, may also be achievable. We are currently testing the performance of our ARM-based parameterizations in state-of-the--art global and regional models. One fruitful strategy for evaluating advances in parameterizations has turned out to be using short-range numerical weather prediction as a test-bed within which to implement and improve parameterizations for modeling and predicting climate variability. The global models we have used to date are the CAM atmospheric component of the National Center for Atmospheric Research (NCAR) CCSM climate model as well as the National Centers for Environmental Prediction (NCEP) numerical weather prediction model, thus allowing testing in both climate simulation and numerical weather prediction modes. We present detailed results of these tests, demonstrating the sensitivity of model performance to changes in parameterizations.« less

Comparison of Ice Cloud Particle Sizes Retrieved from Satellite Data Derived from In Situ Measurements

NASA Technical Reports Server (NTRS)

Han, Qingyuan; Rossow, William B.; Chou, Joyce; Welch, Ronald M.

1997-01-01

Cloud microphysical parameterizations have attracted a great deal of attention in recent years due to their effect on cloud radiative properties and cloud-related hydrological processes in large-scale models. The parameterization of cirrus particle size has been demonstrated as an indispensable component in the climate feedback analysis. Therefore, global-scale, long-term observations of cirrus particle sizes are required both as a basis of and as a validation of parameterizations for climate models. While there is a global scale, long-term survey of water cloud droplet sizes (Han et al.), there is no comparable study for cirrus ice crystals. This study is an effort to supply such a data set.

The "Grey Zone" cold air outbreak global model intercomparison: A cross evaluation using large-eddy simulations

NASA Astrophysics Data System (ADS)

Tomassini, Lorenzo; Field, Paul R.; Honnert, Rachel; Malardel, Sylvie; McTaggart-Cowan, Ron; Saitou, Kei; Noda, Akira T.; Seifert, Axel

2017-03-01

A stratocumulus-to-cumulus transition as observed in a cold air outbreak over the North Atlantic Ocean is compared in global climate and numerical weather prediction models and a large-eddy simulation model as part of the Working Group on Numerical Experimentation "Grey Zone" project. The focus of the project is to investigate to what degree current convection and boundary layer parameterizations behave in a scale-adaptive manner in situations where the model resolution approaches the scale of convection. Global model simulations were performed at a wide range of resolutions, with convective parameterizations turned on and off. The models successfully simulate the transition between the observed boundary layer structures, from a well-mixed stratocumulus to a deeper, partly decoupled cumulus boundary layer. There are indications that surface fluxes are generally underestimated. The amount of both cloud liquid water and cloud ice, and likely precipitation, are under-predicted, suggesting deficiencies in the strength of vertical mixing in shear-dominated boundary layers. But also regulation by precipitation and mixed-phase cloud microphysical processes play an important role in the case. With convection parameterizations switched on, the profiles of atmospheric liquid water and cloud ice are essentially resolution-insensitive. This, however, does not imply that convection parameterizations are scale-aware. Even at the highest resolutions considered here, simulations with convective parameterizations do not converge toward the results of convection-off experiments. Convection and boundary layer parameterizations strongly interact, suggesting the need for a unified treatment of convective and turbulent mixing when addressing scale-adaptivity.

Radiative flux and forcing parameterization error in aerosol-free clear skies.

PubMed

Pincus, Robert; Mlawer, Eli J; Oreopoulos, Lazaros; Ackerman, Andrew S; Baek, Sunghye; Brath, Manfred; Buehler, Stefan A; Cady-Pereira, Karen E; Cole, Jason N S; Dufresne, Jean-Louis; Kelley, Maxwell; Li, Jiangnan; Manners, James; Paynter, David J; Roehrig, Romain; Sekiguchi, Miho; Schwarzkopf, Daniel M

2015-07-16

Radiation parameterizations in GCMs are more accurate than their predecessorsErrors in estimates of 4 ×CO 2 forcing are large, especially for solar radiationErrors depend on atmospheric state, so global mean error is unknown.

From Global to Cloud Resolving Scale: Experiments with a Scale- and Aerosol-Aware Physics Package and Impact on Tracer Transport

NASA Astrophysics Data System (ADS)

Grell, G. A.; Freitas, S. R.; Olson, J.; Bela, M.

2017-12-01

We will start by providing a summary of the latest cumulus parameterization modeling efforts at NOAA's Earth System Research Laboratory (ESRL) will be presented on both regional and global scales. The physics package includes a scale-aware parameterization of subgrid cloudiness feedback to radiation (coupled PBL, microphysics, radiation, shallow and congestus type convection), the stochastic Grell-Freitas (GF) scale- and aerosol-aware convective parameterization, and an aerosol aware microphysics package. GF is based on a stochastic approach originally implemented by Grell and Devenyi (2002) and described in more detail in Grell and Freitas (2014, ACP). It was expanded to include PDF's for vertical mass flux, as well as modifications to improve the diurnal cycle. This physics package will be used on different scales, spanning global to cloud resolving, to look at the impact on scalar transport and numerical weather prediction.

The impact of lake and reservoir parameterization on global streamflow simulation.

PubMed

Zajac, Zuzanna; Revilla-Romero, Beatriz; Salamon, Peter; Burek, Peter; Hirpa, Feyera A; Beck, Hylke

2017-05-01

Lakes and reservoirs affect the timing and magnitude of streamflow, and are therefore essential hydrological model components, especially in the context of global flood forecasting. However, the parameterization of lake and reservoir routines on a global scale is subject to considerable uncertainty due to lack of information on lake hydrographic characteristics and reservoir operating rules. In this study we estimated the effect of lakes and reservoirs on global daily streamflow simulations of a spatially-distributed LISFLOOD hydrological model. We applied state-of-the-art global sensitivity and uncertainty analyses for selected catchments to examine the effect of uncertain lake and reservoir parameterization on model performance. Streamflow observations from 390 catchments around the globe and multiple performance measures were used to assess model performance. Results indicate a considerable geographical variability in the lake and reservoir effects on the streamflow simulation. Nash-Sutcliffe Efficiency (NSE) and Kling-Gupta Efficiency (KGE) metrics improved for 65% and 38% of catchments respectively, with median skill score values of 0.16 and 0.2 while scores deteriorated for 28% and 52% of the catchments, with median values -0.09 and -0.16, respectively. The effect of reservoirs on extreme high flows was substantial and widespread in the global domain, while the effect of lakes was spatially limited to a few catchments. As indicated by global sensitivity analysis, parameter uncertainty substantially affected uncertainty of model performance. Reservoir parameters often contributed to this uncertainty, although the effect varied widely among catchments. The effect of reservoir parameters on model performance diminished with distance downstream of reservoirs in favor of other parameters, notably groundwater-related parameters and channel Manning's roughness coefficient. This study underscores the importance of accounting for lakes and, especially, reservoirs and using appropriate parameterization in large-scale hydrological simulations.

SURFACE FLUID REGISTRATION OF CONFORMAL REPRESENTATION: APPLICATION TO DETECT DISEASE BURDEN AND GENETIC INFLUENCE ON HIPPOCAMPUS

PubMed Central

Shi, Jie; Thompson, Paul M.; Gutman, Boris; Wang, Yalin

2013-01-01

In this paper, we develop a new automated surface registration system based on surface conformal parameterization by holomorphic 1-forms, inverse consistentsurface fluid registration, and multivariate tensor-based morphometry (mTBM). First, we conformally map a surface onto a planar rectangle space with holomorphic 1-forms. Second, we compute surface conformal representation by combining its local conformal factor and mean curvature and linearly scale the dynamic range of the conformal representation to form the feature image of the surface. Third, we align the feature image with a chosen template image via the fluid image registration algorithm, which has been extended into the curvilinear coordinates to adjust for the distortion introduced by surface parameterization. The inverse consistent image registration algorithm is also incorporated in the system to jointly estimate the forward and inverse transformations between the study and template images. This alignment induces a corresponding deformation on the surface. We tested the system on Alzheimer's Disease Neuroimaging Initiative (ADNI) baseline dataset to study AD symptoms on hippocampus. In our system, by modeling a hippocampus as a 3D parametric surface, we nonlinearly registered each surface with a selected template surface. Then we used mTBM to analyze the morphometrydifference between diagnostic groups. Experimental results show that the new system has better performance than two publically available subcortical surface registration tools: FIRST and SPHARM. We also analyzed the genetic influence of the Apolipoprotein E ε4 allele (ApoE4),which is considered as the most prevalent risk factor for AD.Our work successfully detected statistically significant difference between ApoE4 carriers and non-carriers in both patients of mild cognitive impairment (MCI) and healthy control subjects. The results show evidence that the ApoE genotype may be associated with accelerated brain atrophy so that our workprovides a new MRI analysis tool that may help presymptomatic AD research. PMID:23587689

Uncertainties of parameterized surface downward clear-sky shortwave and all-sky longwave radiation.

NASA Astrophysics Data System (ADS)

Gubler, S.; Gruber, S.; Purves, R. S.

2012-06-01

As many environmental models rely on simulating the energy balance at the Earth's surface based on parameterized radiative fluxes, knowledge of the inherent model uncertainties is important. In this study we evaluate one parameterization of clear-sky direct, diffuse and global shortwave downward radiation (SDR) and diverse parameterizations of clear-sky and all-sky longwave downward radiation (LDR). In a first step, SDR is estimated based on measured input variables and estimated atmospheric parameters for hourly time steps during the years 1996 to 2008. Model behaviour is validated using the high quality measurements of six Alpine Surface Radiation Budget (ASRB) stations in Switzerland covering different elevations, and measurements of the Swiss Alpine Climate Radiation Monitoring network (SACRaM) in Payerne. In a next step, twelve clear-sky LDR parameterizations are calibrated using the ASRB measurements. One of the best performing parameterizations is elected to estimate all-sky LDR, where cloud transmissivity is estimated using measured and modeled global SDR during daytime. In a last step, the performance of several interpolation methods is evaluated to determine the cloud transmissivity in the night. We show that clear-sky direct, diffuse and global SDR is adequately represented by the model when using measurements of the atmospheric parameters precipitable water and aerosol content at Payerne. If the atmospheric parameters are estimated and used as a fix value, the relative mean bias deviance (MBD) and the relative root mean squared deviance (RMSD) of the clear-sky global SDR scatter between between -2 and 5%, and 7 and 13% within the six locations. The small errors in clear-sky global SDR can be attributed to compensating effects of modeled direct and diffuse SDR since an overestimation of aerosol content in the atmosphere results in underestimating the direct, but overestimating the diffuse SDR. Calibration of LDR parameterizations to local conditions reduces MBD and RMSD strongly compared to using the published values of the parameters, resulting in relative MBD and RMSD of less than 5% respectively 10% for the best parameterizations. The best results to estimate cloud transmissivity during nighttime were obtained by linearly interpolating the average of the cloud transmissivity of the four hours of the preceeding afternoon and the following morning. Model uncertainty can be caused by different errors such as code implementation, errors in input data and in estimated parameters, etc. The influence of the latter (errors in input data and model parameter uncertainty) on model outputs is determined using Monte Carlo. Model uncertainty is provided as the relative standard deviation σrel of the simulated frequency distributions of the model outputs. An optimistic estimate of the relative uncertainty σrel resulted in 10% for the clear-sky direct, 30% for diffuse, 3% for global SDR, and 3% for the fitted all-sky LDR.

A Generalized Simple Formulation of Convective Adjustment Timescale for Cumulus Convection Parameterizations

EPA Science Inventory

Convective adjustment timescale (τ) for cumulus clouds is one of the most influential parameters controlling parameterized convective precipitation in climate and weather simulation models at global and regional scales. Due to the complex nature of deep convection, a pres...

Fundamental statistical relationships between monthly and daily meteorological variables: Temporal downscaling of weather based on a global observational dataset

NASA Astrophysics Data System (ADS)

Sommer, Philipp; Kaplan, Jed

2016-04-01

Accurate modelling of large-scale vegetation dynamics, hydrology, and other environmental processes requires meteorological forcing on daily timescales. While meteorological data with high temporal resolution is becoming increasingly available, simulations for the future or distant past are limited by lack of data and poor performance of climate models, e.g., in simulating daily precipitation. To overcome these limitations, we may temporally downscale monthly summary data to a daily time step using a weather generator. Parameterization of such statistical models has traditionally been based on a limited number of observations. Recent developments in the archiving, distribution, and analysis of "big data" datasets provide new opportunities for the parameterization of a temporal downscaling model that is applicable over a wide range of climates. Here we parameterize a WGEN-type weather generator using more than 50 million individual daily meteorological observations, from over 10'000 stations covering all continents, based on the Global Historical Climatology Network (GHCN) and Synoptic Cloud Reports (EECRA) databases. Using the resulting "universal" parameterization and driven by monthly summaries, we downscale mean temperature (minimum and maximum), cloud cover, and total precipitation, to daily estimates. We apply a hybrid gamma-generalized Pareto distribution to calculate daily precipitation amounts, which overcomes much of the inability of earlier weather generators to simulate high amounts of daily precipitation. Our globally parameterized weather generator has numerous applications, including vegetation and crop modelling for paleoenvironmental studies.

Technical report series on global modeling and data assimilation. Volume 3: An efficient thermal infrared radiation parameterization for use in general circulation models

NASA Technical Reports Server (NTRS)

Suarex, Max J. (Editor); Chou, Ming-Dah

1994-01-01

A detailed description of a parameterization for thermal infrared radiative transfer designed specifically for use in global climate models is presented. The parameterization includes the effects of the main absorbers of terrestrial radiation: water vapor, carbon dioxide, and ozone. While being computationally efficient, the schemes compute very accurately the clear-sky fluxes and cooling rates from the Earth's surface to 0.01 mb. This combination of accuracy and speed makes the parameterization suitable for both tropospheric and middle atmospheric modeling applications. Since no transmittances are precomputed the atmospheric layers and the vertical distribution of the absorbers may be freely specified. The scheme can also account for any vertical distribution of fractional cloudiness with arbitrary optical thickness. These features make the parameterization very flexible and extremely well suited for use in climate modeling studies. In addition, the numerics and the FORTRAN implementation have been carefully designed to conserve both memory and computer time. This code should be particularly attractive to those contemplating long-term climate simulations, wishing to model the middle atmosphere, or planning to use a large number of levels in the vertical.

Equilibrium and Dynamics Properties of Poly(oxyethylene) Melts and Related Poly(alkylethers) from Simulations and Ab Initio Calculations

NASA Technical Reports Server (NTRS)

Smith, Grant D.; Jaffe, R. L.; Yoon, D. Y.; Arnold, James O. (Technical Monitor)

1994-01-01

Molecular dynamics simulations of POE melts have been performed utilizing a potential force field parameterized to reproduce conformer energies and rotational energy barriers in dimethoxyethane as determined from ab initio electronic structure calculations. Chain conformations and dimensions of POE from the simulations were found to be in good agreement with predictions of a rotational isomeric state (RIS) model based upon the ab initio conformational. energies. The melt chains were found to be somewhat extended relative to chains at theta conditions. This effect will be discussed in light of neutron scattering experiments which indicate that POE chains are extended in the melt relative to theta solutions. The conformational characteristics of POE chains will also be compared with those of other poly (alkylethers), namely poly(oxymethylene), poly(oxytrimethylene) and poly(oxytetramethylene). Local conformational dynamics were found to be more rapid than in polymethylene. Calculated C-H vector correlation times were found to be in reasonable agreement with experimental values from C-13 NMR spin-lattice relaxation times. The influence of ionic salts on local conformations and dynamics will also be discussed.

From global to heavy-light: 5-point conformal blocks

NASA Astrophysics Data System (ADS)

Alkalaev, Konstantin; Belavin, Vladimir

2016-03-01

We consider Virasoro conformal blocks in the large central charge limit. There are different regimes depending on the behavior of the conformal dimensions. The most simple regime is reduced to the global sl(2,C) conformal blocks while the most complicated one is known as the classical conformal blocks. Recently, Fitzpatrick, Kaplan, and Walters showed that the two regimes are related through the intermediate stage of the so-called heavy-light semiclassical limit. We study this idea in the particular case of the 5-point conformal block. To find the 5-point global block we use the projector technique and the Casimir operator approach. Furthermore, we discuss the relation between the global and the heavy-light limits and construct the heavy-light block from the global block. In this way we reproduce our previous results for the 5-point perturbative classical block obtained by means of the monodromy method.

Molecular Level Characterization of the Structure and Interactions in Peptide-Functionalized Metal-Organic Frameworks.

PubMed

Todorova, Tanya K; Rozanska, Xavier; Gervais, Christel; Legrand, Alexandre; Ho, Linh N; Berruyer, Pierrick; Lesage, Anne; Emsley, Lyndon; Farrusseng, David; Canivet, Jérôme; Mellot-Draznieks, Caroline

2016-11-07

We use density functional theory, newly parameterized molecular dynamics simulations, and last generation 15 N dynamic nuclear polarization surface enhanced solid-state NMR spectroscopy (DNP SENS) to understand graft-host interactions and effects imposed by the metal-organic framework (MOF) host on peptide conformations in a peptide-functionalized MOF. Focusing on two grafts typified by MIL-68-proline (-Pro) and MIL-68-glycine-proline (-Gly-Pro), we identified the most likely peptide conformations adopted in the functionalized hybrid frameworks. We found that hydrogen bond interactions between the graft and the surface hydroxyl groups of the MOF are essential in determining the peptides conformation(s). DNP SENS methodology shows unprecedented signal enhancements when applied to these peptide-functionalized MOFs. The calculated chemical shifts of selected MIL-68-NH-Pro and MIL-68-NH-Gly-Pro conformations are in a good agreement with the experimentally obtained 15 N NMR signals. The study shows that the conformations of peptides when grafted in a MOF host are unlikely to be freely distributed, and conformational selection is directed by strong host-guest interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fourier transformation microwave spectroscopy of the methyl glycolate-H2O complex

NASA Astrophysics Data System (ADS)

Fujitake, Masaharu; Tanaka, Toshihiro; Ohashi, Nobukimi

2018-01-01

The rotational spectrum of one conformer of the methyl glycolate-H2O complex has been measured by means of the pulsed jet Fourier transform microwave spectrometer. The observed a- and b-type transitions exhibit doublet splittings due to the internal rotation of the methyl group. On the other hand, most of the c-type transitions exhibit quartet splittings arising from the methyl internal rotation and the inversion motion between two equivalent conformations. The spectrum was analyzed using parameterized expressions of the Hamiltonian matrix elements derived by applying the tunneling matrix formalism. Based on the results obtained from ab initio calculation, the observed complex of methyl glycolate-H2O was assigned to the most stable conformer of the insertion complex, in which a non-planer seven membered-ring structure is formed by the intermolecular hydrogen bonds between methyl glycolate and H2O subunits. The inversion motion observed in the c-type transitions is therefore a kind of ring-inversion motion between two equivalent conformations. Conformational flexibility, which corresponds to the ring-inversion between two equivalent conformations and to the isomerization between two possible conformers of the insertion complex, was investigated with the help of the ab initio calculation.

Local conformity induced global oscillation

NASA Astrophysics Data System (ADS)

Li, Dong; Li, Wei; Hu, Gang; Zheng, Zhigang

2009-04-01

The game ‘rock-paper-scissors’ model, with the consideration of the effect of the psychology of conformity, is investigated. The interaction between each two agents is global, but the strategy of the conformity is local for individuals. In the statistical opinion, the probability of the appearance of each strategy is uniform. The dynamical analysis of this model indicates that the equilibrium state may lose its stability at a threshold and is replaced by a globally oscillating state. The global oscillation is induced by the local conformity, which is originated from the synchronization of individual strategies.

A Survey of Phase Variable Candidates of Human Locomotion

PubMed Central

Villarreal, Dario J.; Gregg, Robert D.

2014-01-01

Studies show that the human nervous system is able to parameterize gait cycle phase using sensory feedback. In the field of bipedal robots, the concept of a phase variable has been successfully used to mimic this behavior by parameterizing the gait cycle in a time-independent manner. This approach has been applied to control a powered transfemoral prosthetic leg, but the proposed phase variable was limited to the stance period of the prosthesis only. In order to achieve a more robust controller, we attempt to find a new phase variable that fully parameterizes the gait cycle of a prosthetic leg. The angle with respect to a global reference frame at the hip is able to monotonically parameterize both the stance and swing periods of the gait cycle. This survey looks at multiple phase variable candidates involving the hip angle with respect to a global reference frame across multiple tasks including level-ground walking, running, and stair negotiation. In particular, we propose a novel phase variable candidate that monotonically parameterizes the whole gait cycle across all tasks, and does so particularly well across level-ground walking. In addition to furthering the design of robust robotic prosthetic leg controllers, this survey could help neuroscientists and physicians study human locomotion across tasks from a time-independent perspective. PMID:25570873

A Coupled Ocean General Circulation, Biogeochemical, and Radiative Model of the Global Oceans: Seasonal Distributions of Ocean Chlorophyll and Nutrients

NASA Technical Reports Server (NTRS)

Gregg, Watson W.; Busalacchi, Antonio (Technical Monitor)

2000-01-01

A coupled ocean general circulation, biogeochemical, and radiative model was constructed to evaluate and understand the nature of seasonal variability of chlorophyll and nutrients in the global oceans. Biogeochemical processes in the model are determined from the influences of circulation and turbulence dynamics, irradiance availability. and the interactions among three functional phytoplankton groups (diatoms. chlorophytes, and picoplankton) and three nutrients (nitrate, ammonium, and silicate). Basin scale (greater than 1000 km) model chlorophyll results are in overall agreement with CZCS pigments in many global regions. Seasonal variability observed in the CZCS is also represented in the model. Synoptic scale (100-1000 km) comparisons of imagery are generally in conformance although occasional departures are apparent. Model nitrate distributions agree with in situ data, including seasonal dynamics, except for the equatorial Atlantic. The overall agreement of the model with satellite and in situ data sources indicates that the model dynamics offer a reasonably realistic simulation of phytoplankton and nutrient dynamics on synoptic scales. This is especially true given that initial conditions are homogenous chlorophyll fields. The success of the model in producing a reasonable representation of chlorophyll and nutrient distributions and seasonal variability in the global oceans is attributed to the application of a generalized, processes-driven approach as opposed to regional parameterization and the existence of multiple phytoplankton groups with different physiological and physical properties. These factors enable the model to simultaneously represent many aspects of the great diversity of physical, biological, chemical, and radiative environments encountered in the global oceans.

A second-order Budkyo-type parameterization of landsurface hydrology

NASA Technical Reports Server (NTRS)

Andreou, S. A.; Eagleson, P. S.

1982-01-01

A simple, second order parameterization of the water fluxes at a land surface for use as the appropriate boundary condition in general circulation models of the global atmosphere was developed. The derived parameterization incorporates the high nonlinearities in the relationship between the near surface soil moisture and the evaporation, runoff and percolation fluxes. Based on the one dimensional statistical dynamic derivation of the annual water balance, it makes the transition to short term prediction of the moisture fluxes, through a Taylor expansion around the average annual soil moisture. A comparison of the suggested parameterization is made with other existing techniques and available measurements. A thermodynamic coupling is applied in order to obtain estimations of the surface ground temperature.

Large scale Full QM-MD investigation of small peptides and insulin adsorption on ideal and defective TiO2 (1 0 0) surfaces. Influence of peptide size on interfacial bonds

NASA Astrophysics Data System (ADS)

Dubot, Pierre; Boisseau, Nicolas; Cenedese, Pierre

2018-05-01

Large biomolecule interaction with oxide surface has attracted a lot of attention because it drives behavior of implanted devices in the living body. To investigate the role of TiO2 surface structure on a large polypeptide (insulin) adsorption, we use a homemade mixed Molecular Dynamics-Full large scale Quantum Mechanics code. A specific re-parameterized (Ti) and globally convergent NDDO method fitted on high level ab initio method (coupled cluster CCSD(T) and DFT) allows us to safely describe the electronic structure of the whole insulin-TiO2 surface system (up to 4000 atoms). Looking specifically at carboxylate residues, we demonstrate in this work that specific interfacial bonds are obtained from the insulin/TiO2 system that are not observed in the case of smaller peptides (tripeptides, insulin segment chains with different configurations). We also demonstrate that a large part of the adsorption energy is compensated by insulin conformational energy changes and surface defects enhanced this trend. Large slab dimensions allow us to take into account surface defects that are actually beyond ab initio capabilities owing to size effect. These results highlight the influence of the surface structure on the conformation and therefore of the possible inactivity of an adsorbed polypeptides.

A unified spectral,parameterization for wave breaking: from the deep ocean to the surf zone

NASA Astrophysics Data System (ADS)

Filipot, J.

2010-12-01

A new wave-breaking dissipation parameterization designed for spectral wave models is presented. It combines wave breaking basic physical quantities, namely, the breaking probability and the dissipation rate per unit area. The energy lost by waves is fi[|#12#|]rst calculated in the physical space before being distributed over the relevant spectral components. This parameterization allows a seamless numerical model from the deep ocean into the surf zone. This transition from deep to shallow water is made possible by a dissipation rate per unit area of breaking waves that varies with the wave height, wavelength and water depth.The parameterization is further tested in the WAVEWATCH III TM code, from the global ocean to the beach scale. Model errors are smaller than with most specialized deep or shallow water parameterizations.

The Earth's Population Can Reach 14 Billion in the 23rd Century without Significant Adverse Effects on Survivability.

PubMed

Krapivin, Vladimir F; Varotsos, Costas A; Soldatov, Vladimir Yu

2017-08-07

This paper presents the results obtained from the study of the sustainable state between nature and human society on a global scale, focusing on the most critical interactions between the natural and anthropogenic processes. Apart from the conventional global models, the basic tool employed herein is the newly proposed complex model entitled "nature-society system (NSS) model", through which a reliable modeling of the processes taking place in the global climate-nature-society system (CNSS) is achieved. This universal tool is mainly based on the information technology that allows the adaptive conformance of the parametric and functional space of this model. The structure of this model includes the global biogeochemical cycles, the hydrological cycle, the demographic processes and a simple climate model. In this model, the survivability indicator is used as a criterion for the survival of humanity, which defines a trend in the dynamics of the total biomass of the biosphere, taking into account the trends of the biocomplexity dynamics of the land and hydrosphere ecosystems. It should be stressed that there are no other complex global models comparable to those of the CNSS model developed here. The potential of this global model is demonstrated through specific examples in which the classification of the terrestrial ecosystem is accomplished by separating 30 soil-plant formations for geographic pixels 4° × 5°. In addition, humanity is considered to be represented by three groups of economic development status (high, transition, developing) and the World Ocean is parameterized by three latitude zones (low, middle, high). The modelling results obtained show the dynamics of the CNSS at the beginning of the 23rd century, according to which the world population can reach the level of 14 billion without the occurrence of major negative impacts.

10 Ways to Improve the Representation of MCSs in Climate Models

NASA Astrophysics Data System (ADS)

Schumacher, C.

2017-12-01

1. The first way to improve the representation of mesoscale convective systems (MCSs) in global climate models (GCMs) is to recognize that MCSs are important to climate. That may be obvious to most of the people attending this session, but it cannot be taken for granted in the wider community. The fact that MCSs produce large amounts of the global rainfall and that they dramatically impact the atmosphere via transports of heat, moisture, and momentum must be continuously stressed. 2-4. There has traditionally been three approaches to representing MCSs and/or their impacts in GCMs. The first is to focus on improving cumulus parameterizations by implementing things like cold pools that are assumed to better organize convection. The second is to focus on including mesoscale processes in the cumulus parameterization such as mesoscale vertical motions. The third is to just buy your way out with higher resolution using techniques like super-parameterization or global cloud-resolving model runs. All of these approaches have their pros and cons, but none of them satisfactorily solve the MCS climate modeling problem. 5-10. Looking forward, there is active discussion and new ideas in the modeling community on how to better represent convective organization in models. A number of ideas are a dramatic shift from the traditional plume-based cumulus parameterizations of most GCMs, such as implementing mesoscale parmaterizations based on their physical impacts (e.g., via heating), on empirical relationships based on big data/machine learning, or on stochastic approaches. Regardless of the technique employed, smart evaluation processes using observations are paramount to refining and constraining the inevitable tunable parameters in any parameterization.

Assessment of two physical parameterization schemes for desert dust emissions in an atmospheric chemistry general circulation model

NASA Astrophysics Data System (ADS)

Astitha, M.; Abdel Kader, M.; Pozzer, A.; Lelieveld, J.

2012-04-01

Atmospheric particulate matter and more specific desert dust has been the topic of numerous research studies in the past due to the wide range of impacts in the environment and climate and the uncertainty of characterizing and quantifying these impacts in a global scale. In this work we present two physical parameterizations of the desert dust production that have been incorporated in the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry). The scope of this work is to assess the impact of the two physical parameterizations in the global distribution of desert dust and highlight the advantages and disadvantages of using either technique. The dust concentration and deposition has been evaluated using the AEROCOM dust dataset for the year 2000 and data from the MODIS and MISR satellites as well as sun-photometer data from the AERONET network was used to compare the modelled aerosol optical depth with observations. The implementation of the two parameterizations and the simulations using relatively high spatial resolution (T106~1.1deg) has highlighted the large spatial heterogeneity of the dust emission sources as well as the importance of the input parameters (soil size and texture, vegetation, surface wind speed). Also, sensitivity simulations with the nudging option using reanalysis data from ECMWF and without nudging have showed remarkable differences for some areas. Both parameterizations have revealed the difficulty of simulating all arid regions with the same assumptions and mechanisms. Depending on the arid region, each emission scheme performs more or less satisfactorily which leads to the necessity of treating each desert differently. Even though this is a quite different task to accomplish in a global model, some recommendations are given and ideas for future improvements.

Radiative flux and forcing parameterization error in aerosol-free clear skies

DOE PAGES

Pincus, Robert; Mlawer, Eli J.; Oreopoulos, Lazaros; ...

2015-07-03

This article reports on the accuracy in aerosol- and cloud-free conditions of the radiation parameterizations used in climate models. Accuracy is assessed relative to observationally validated reference models for fluxes under present-day conditions and forcing (flux changes) from quadrupled concentrations of carbon dioxide. Agreement among reference models is typically within 1 W/m 2, while parameterized calculations are roughly half as accurate in the longwave and even less accurate, and more variable, in the shortwave. Absorption of shortwave radiation is underestimated by most parameterizations in the present day and has relatively large errors in forcing. Error in present-day conditions is essentiallymore » unrelated to error in forcing calculations. Recent revisions to parameterizations have reduced error in most cases. As a result, a dependence on atmospheric conditions, including integrated water vapor, means that global estimates of parameterization error relevant for the radiative forcing of climate change will require much more ambitious calculations.« less

Analysis of the Diurnal Variation of the Global Electric Circuit Obtained From Different Numerical Models

NASA Astrophysics Data System (ADS)

Jánský, Jaroslav; Lucas, Greg M.; Kalb, Christina; Bayona, Victor; Peterson, Michael J.; Deierling, Wiebke; Flyer, Natasha; Pasko, Victor P.

2017-12-01

This work analyzes different current source and conductivity parameterizations and their influence on the diurnal variation of the global electric circuit (GEC). The diurnal variations of the current source parameterizations obtained using electric field and conductivity measurements from plane overflights combined with global Tropical Rainfall Measuring Mission satellite data give generally good agreement with measured diurnal variation of the electric field at Vostok, Antarctica, where reference experimental measurements are performed. An approach employing 85 GHz passive microwave observations to infer currents within the GEC is compared and shows the best agreement in amplitude and phase with experimental measurements. To study the conductivity influence, GEC models solving the continuity equation in 3-D are used to calculate atmospheric resistance using yearly averaged conductivity obtained from the global circulation model Community Earth System Model (CESM). Then, using current source parameterization combining mean currents and global counts of electrified clouds, if the exponential conductivity is substituted by the conductivity from CESM, the peak to peak diurnal variation of the ionospheric potential of the GEC decreases from 24% to 20%. The main reason for the change is the presence of clouds while effects of 222Rn ionization, aerosols, and topography are less pronounced. The simulated peak to peak diurnal variation of the electric field at Vostok is increased from 15% to 18% from the diurnal variation of the global current in the GEC if conductivity from CESM is used.

Modeling global yield growth of major crops under multiple socioeconomic pathways

NASA Astrophysics Data System (ADS)

Iizumi, T.; Kim, W.; Zhihong, S.; Nishimori, M.

2016-12-01

Global gridded crop models (GGCMs) are a key tool in deriving global food security scenarios under climate change. However, it is difficult for GGCMs to reproduce the reported yield growth patterns—rapid growth, yield stagnation and yield collapse. Here, we propose a set of parameterizations for GGCMs to capture the contributions to yield from technological improvements at the national and multi-decadal scales. These include country annual per capita gross domestic product (GDP)-based parameterizations for the nitrogen application rate and crop tolerance to stresses associated with high temperature, low temperature, water deficit and water excess. Using a GGCM combined with the parameterizations, we present global 140-year (1961-2100) yield growth simulations for maize, soybean, rice and wheat under multiple shared socioeconomic pathways (SSPs) and no climate change. The model reproduces the major characteristics of reported global and country yield growth patterns over the 1961-2013 period. Under the most rapid developmental pathway SSP5, the simulated global yields for 2091-2100, relative to 2001-2010, are the highest (1.21-1.82 times as high, with variations across the crops), followed by SSP1 (1.14-1.56 times as high), SSP2 (1.12-1.49 times as high), SSP4 (1.08-1.38 times as high) and SSP3 (1.08-1.36 times as high). Future country yield growth varies substantially by income level as well as by crop and by SSP. These yield pathways offer a new baseline for addressing the interdisciplinary questions related to global agricultural development, food security and climate change.

HPC Aspects of Variable-Resolution Global Climate Modeling using a Multi-scale Convection Parameterization

EPA Science Inventory

High performance computing (HPC) requirements for the new generation variable grid resolution (VGR) global climate models differ from that of traditional global models. A VGR global model with 15 km grids over the CONUS stretching to 60 km grids elsewhere will have about ~2.5 tim...

The QBO in Two GISS Global Climate Models: 1. Generation of the QBO

NASA Technical Reports Server (NTRS)

Rind, David; Jonas, Jeffrey A.; Balachandra, Nambath; Schmidt, Gavin A.; Lean, Judith

2014-01-01

The adjustment of parameterized gravity waves associated with model convection and finer vertical resolution has made possible the generation of the quasi-biennial oscillation (QBO) in two Goddard Institute for Space Studies (GISS) models, GISS Middle Atmosphere Global Climate Model III and a climate/middle atmosphere version of Model E2. Both extend from the surface to 0.002 hPa, with 2deg × 2.5deg resolution and 102 layers. Many realistic features of the QBO are simulated, including magnitude and variability of its period and amplitude. The period itself is affected by the magnitude of parameterized convective gravity wave momentum fluxes and interactive ozone (which also affects the QBO amplitude and variability), among other forcings. Although varying sea surface temperatures affect the parameterized momentum fluxes, neither aspect is responsible for the modeled variation in QBO period. Both the parameterized and resolved waves act to produce the respective easterly and westerly wind descent, although their effect is offset in altitude at each level. The modeled and observed QBO influences on tracers in the stratosphere, such as ozone, methane, and water vapor are also discussed. Due to the link between the gravity wave parameterization and the models' convection, and the dependence on the ozone field, the models may also be used to investigate how the QBO may vary with climate change.

Seasonal Distributions of Global Ocean Chlorophyll and Nutrients: Analysis with a Coupled Ocean General Circulation Biogeochemical, and Radiative Model

NASA Technical Reports Server (NTRS)

Gregg, Watson W.

1999-01-01

A coupled general ocean circulation, biogeochemical, and radiative model was constructed to evaluate and understand the nature of seasonal variability of chlorophyll and nutrients in the global oceans. The model is driven by climatological meteorological conditions, cloud cover, and sea surface temperature. Biogeochemical processes in the model are determined from the influences of circulation and turbulence dynamics, irradiance availability, and the interactions among three functional phytoplankton groups (diatoms, chorophytes, and picoplankton) and three nutrient groups (nitrate, ammonium, and silicate). Phytoplankton groups are initialized as homogeneous fields horizontally and vertically, and allowed to distribute themselves according to the prevailing conditions. Basin-scale model chlorophyll results are in very good agreement with CZCS pigments in virtually every global region. Seasonal variability observed in the CZCS is also well represented in the model. Synoptic scale (100-1000 km) comparisons of imagery are also in good conformance, although occasional departures are apparent. Agreement of nitrate distributions with in situ data is even better, including seasonal dynamics, except for the equatorial Atlantic. The good agreement of the model with satellite and in situ data sources indicates that the model dynamics realistically simulate phytoplankton and nutrient dynamics on synoptic scales. This is especially true given that initial conditions are homogenous chlorophyll fields. The success of the model in producing a reasonable representation of chlorophyll and nutrient distributions and seasonal variability in the global oceans is attributed to the application of a generalized, processes-driven approach as opposed to regional parameterization, and the existence of multiple phytoplankton groups with different physiological and physical properties. These factors enable the model to simultaneously represent the great diversity of physical, biological, chemical, and radiative environments encountered in the global oceans.

A coupled two-dimensional main chain torsional potential for protein dynamics: generation and implementation.

PubMed

Li, Yongxiu; Gao, Ya; Zhang, Xuqiang; Wang, Xingyu; Mou, Lirong; Duan, Lili; He, Xiao; Mei, Ye; Zhang, John Z H

2013-09-01

Main chain torsions of alanine dipeptide are parameterized into coupled 2-dimensional Fourier expansions based on quantum mechanical (QM) calculations at M06 2X/aug-cc-pvtz//HF/6-31G** level. Solvation effect is considered by employing polarizable continuum model. Utilization of the M06 2X functional leads to precise potential energy surface that is comparable to or even better than MP2 level, but with much less computational demand. Parameterization of the 2D expansions is against the full main chain torsion space instead of just a few low energy conformations. This procedure is similar to that for the development of AMBER03 force field, except unique weighting factor was assigned to all the grid points. To avoid inconsistency between quantum mechanical calculations and molecular modeling, the model peptide is further optimized at molecular mechanics level with main chain dihedral angles fixed before the calculation of the conformational energy on molecular mechanical level at each grid point, during which generalized Born model is employed. Difference in solvation models at quantum mechanics and molecular mechanics levels makes this parameterization procedure less straightforward. All force field parameters other than main chain torsions are taken from existing AMBER force field. With this new main chain torsion terms, we have studied the main chain dihedral distributions of ALA dipeptide and pentapeptide in aqueous solution. The results demonstrate that 2D main chain torsion is effective in delineating the energy variation associated with rotations along main chain dihedrals. This work is an implication for the necessity of more accurate description of main chain torsions in the future development of ab initio force field and it also raises a challenge to the development of quantum mechanical methods, especially the quantum mechanical solvation models.

Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling.

PubMed

Arnautova, Yelena A; Abagyan, Ruben A; Totrov, Maxim

2011-02-01

We report the development of internal coordinate mechanics force field (ICMFF), new force field parameterized using a combination of experimental data for crystals of small molecules and quantum mechanics calculations. The main features of ICMFF include: (a) parameterization for the dielectric constant relevant to the condensed state (ε = 2) instead of vacuum, (b) an improved description of hydrogen-bond interactions using duplicate sets of van der Waals parameters for heavy atom-hydrogen interactions, and (c) improved backbone covalent geometry and energetics achieved using novel backbone torsional potentials and inclusion of the bond angles at the C(α) atoms into the internal variable set. The performance of ICMFF was evaluated through loop modeling simulations for 4-13 residue loops. ICMFF was combined with a solvent-accessible surface area solvation model optimized using a large set of loop decoys. Conformational sampling was carried out using the biased probability Monte Carlo method. Average/median backbone root-mean-square deviations of the lowest energy conformations from the native structures were 0.25/0.21 Å for four residues loops, 0.84/0.46 Å for eight residue loops, and 1.16/0.73 Å for 12 residue loops. To our knowledge, these results are significantly better than or comparable with those reported to date for any loop modeling method that does not take crystal packing into account. Moreover, the accuracy of our method is on par with the best previously reported results obtained considering the crystal environment. We attribute this success to the high accuracy of the new ICM force field achieved by meticulous parameterization, to the optimized solvent model, and the efficiency of the search method. © 2010 Wiley-Liss, Inc.

Computational investigation of the conformational profile of the four stereomers of Ac-L-Pro-c3Phe-NHMe (c3Phe= 2,3-methanophenylalanine).

PubMed

Rodriguez, Alejandro; Canto, Josep; Corcho, Francesc J; Perez, Juan J

2009-01-01

The present report regards a computational study aimed at assessing the conformational profile of the four stereoisomers of the peptide Ace-Pro-c3Phe-NMe, previously reported to exhibit beta-turn structures in dichloromethane with different type I/type II beta-turn profiles. Molecular systems were represented at the molecular mechanics level using the parm96 parameterization of the AMBER force field. Calculations were carried out in dichloromethane using an implicit solvent approach. Characterization of the conformational features of the peptide analogs was carried out using simulated annealing (SA), molecular dynamics (MD) and replica exchange molecular dynamics (REMD). Present results show that MD calculations do not provide a reasonable sampling after 300 ns. In contrast, both SA and REMD provide similar results and agree well with experimental observations. Copyright 2009 Wiley Periodicals, Inc.

Dependence of stratocumulus-topped boundary-layer entrainment on cloud-water sedimentation: Impact on global aerosol indirect effect in GISS ModelE3 single column model and global simulations

NASA Astrophysics Data System (ADS)

Ackerman, A. S.; Kelley, M.; Cheng, Y.; Fridlind, A. M.; Del Genio, A. D.; Bauer, S.

2017-12-01

Reduction in cloud-water sedimentation induced by increasing droplet concentrations has been shown in large-eddy simulations (LES) and direct numerical simulation (DNS) to enhance boundary-layer entrainment, thereby reducing cloud liquid water path and offsetting the Twomey effect when the overlying air is sufficiently dry, which is typical. Among recent upgrades to ModelE3, the latest version of the NASA Goddard Institute for Space Studies (GISS) general circulation model (GCM), are a two-moment stratiform cloud microphysics treatment with prognostic precipitation and a moist turbulence scheme that includes an option in its entrainment closure of a simple parameterization for the effect of cloud-water sedimentation. Single column model (SCM) simulations are compared to LES results for a stratocumulus case study and show that invoking the sedimentation-entrainment parameterization option indeed reduces the dependence of cloud liquid water path on increasing aerosol concentrations. Impacts of variations of the SCM configuration and the sedimentation-entrainment parameterization will be explored. Its impact on global aerosol indirect forcing in the framework of idealized atmospheric GCM simulations will also be assessed.

A 3D parameterization of iron atmospheric deposition to the global ocean

NASA Astrophysics Data System (ADS)

Myriokefalitakis, Stelios; Krol, Maarten C.; van Noije, Twan P. C.; Le Sager, Philippe

2017-04-01

Atmospheric deposition of trace constituents, both of natural and anthropogenic origin, can act as a nutrient source into the open ocean and affect marine ecosystem functioning and subsequently the exchange of CO2 between the atmosphere and the global ocean. Dust is known as a major source of nutrients to the global ocean, but only a fraction of these nutrients is released in soluble form that can be assimilated by the ecosystems. Iron (Fe) is a key micronutrient that significantly modulates gross primary production in High-Nutrient-Low-Chlorophyll (HNLC) oceans, where macronutrients like nitrate are abundant but primary production is limited by Fe scarcity. The global atmospheric Fe cycle is here parameterized in the state-of-the-art global Earth System Model EC-Earth. The model takes into account the primary emissions of both insoluble and soluble Fe, associated with dusts and combustion processes. The impact of atmospheric acidity on mineral solubility is parameterized based on updated experimental and theoretical findings, and model results are evaluated against available observations. The link between the soluble Fe atmospheric deposition and anthropogenic sources is also investigated. Overall, the response of the chemical composition of nutrient containing aerosols to atmospheric composition changes is demonstrated and quantified. This work has been financed by the Marie-Curie H2020-MSCA-IF-2015 grant (ID 705652) ODEON (Online DEposition over OceaNs: Modeling the effect of air pollution on ocean bio-geochemistry in an Earth System Model).

Assessing the CAM5 Physics Suite in the WRF-Chem Model: Implementation, Resolution Sensitivity, and a First Evaluation for a Regional Case Study

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

Ma, Po-Lun; Rasch, Philip J.; Fast, Jerome D.

A suite of physical parameterizations (deep and shallow convection, turbulent boundary layer, aerosols, cloud microphysics, and cloud fraction) from the global climate model Community Atmosphere Model version 5.1 (CAM5) has been implemented in the regional model Weather Research and Forecasting with chemistry (WRF-Chem). A downscaling modeling framework with consistent physics has also been established in which both global and regional simulations use the same emissions and surface fluxes. The WRF-Chem model with the CAM5 physics suite is run at multiple horizontal resolutions over a domain encompassing the northern Pacific Ocean, northeast Asia, and northwest North America for April 2008 whenmore » the ARCTAS, ARCPAC, and ISDAC field campaigns took place. These simulations are evaluated against field campaign measurements, satellite retrievals, and ground-based observations, and are compared with simulations that use a set of common WRF-Chem Parameterizations. This manuscript describes the implementation of the CAM5 physics suite in WRF-Chem provides an overview of the modeling framework and an initial evaluation of the simulated meteorology, clouds, and aerosols, and quantifies the resolution dependence of the cloud and aerosol parameterizations. We demonstrate that some of the CAM5 biases, such as high estimates of cloud susceptibility to aerosols and the underestimation of aerosol concentrations in the Arctic, can be reduced simply by increasing horizontal resolution. We also show that the CAM5 physics suite performs similarly to a set of parameterizations commonly used in WRF-Chem, but produces higher ice and liquid water condensate amounts and near-surface black carbon concentration. Further evaluations that use other mesoscale model parameterizations and perform other case studies are needed to infer whether one parameterization consistently produces results more consistent with observations.« less

Estimating the Contrail Impact on Climate Using the UK Met Office Model

NASA Astrophysics Data System (ADS)

Rap, A.; Forster, P. M.

2008-12-01

With air travel predicted to increase over the coming century, the emissions associated with air traffic are expected to have a significant warming effect on climate. According to current best estimates, an important contribution comes from contrails. However, as reported by the IPCC fourth assessment report, these current best estimates still have a high uncertainty. The development and validation of contrail parameterizations in global climate models is therefore very important. This current study develops a contrail parameterization within the UK Met Office Climate Model. Using this new parameterization, we estimate that for the 2002 traffic, the global mean annual contrail coverage is approximately 0.11%, a value which in good agreement with several other estimates. The corresponding contrail radiative forcing (RF) is calculated to be approximately 4 and 6 mWm-2 in all-sky and clear-sky conditions, respectively. These values lie within the lower end of the RF range reported by the latest IPCC assessment. The relatively high cloud masking effect on contrails observed by our parameterization compared with other studies is investigated, and a possible cause for this difference is suggested. The effect of the diurnal variations of air traffic on both contrail coverage and contrail RF is also investigated. The new parameterization is also employed in thirty-year slab-ocean model runs in order to give one of the first insights into contrail effects on daily temperature range and the climate impact of contrails.

Constructing IGA-suitable planar parameterization from complex CAD boundary by domain partition and global/local optimization

NASA Astrophysics Data System (ADS)

Xu, Gang; Li, Ming; Mourrain, Bernard; Rabczuk, Timon; Xu, Jinlan; Bordas, Stéphane P. A.

2018-01-01

In this paper, we propose a general framework for constructing IGA-suitable planar B-spline parameterizations from given complex CAD boundaries consisting of a set of B-spline curves. Instead of forming the computational domain by a simple boundary, planar domains with high genus and more complex boundary curves are considered. Firstly, some pre-processing operations including B\\'ezier extraction and subdivision are performed on each boundary curve in order to generate a high-quality planar parameterization; then a robust planar domain partition framework is proposed to construct high-quality patch-meshing results with few singularities from the discrete boundary formed by connecting the end points of the resulting boundary segments. After the topology information generation of quadrilateral decomposition, the optimal placement of interior B\\'ezier curves corresponding to the interior edges of the quadrangulation is constructed by a global optimization method to achieve a patch-partition with high quality. Finally, after the imposition of C1=G1-continuity constraints on the interface of neighboring B\\'ezier patches with respect to each quad in the quadrangulation, the high-quality B\\'ezier patch parameterization is obtained by a C1-constrained local optimization method to achieve uniform and orthogonal iso-parametric structures while keeping the continuity conditions between patches. The efficiency and robustness of the proposed method are demonstrated by several examples which are compared to results obtained by the skeleton-based parameterization approach.

Comparison of Ice Cloud Particle Sizes Retrieved From Satellite Data Derived From In Situ Measurements

NASA Technical Reports Server (NTRS)

Han, Qingyuan; Rossow, William B.; Chou, Joyce; Welch, Ronald M.

1997-01-01

Cloud microphysical parameterizations have attracted a great deal of attention in recent years due to their effect on cloud radiative properties and cloud-related hydrological processes in large-scale models. The parameterization of cirrus particle size has been demonstrated as an indispensable component in the climate feedback analysis. Therefore, global-scale, long-term observations of cirrus particle sizes are required both as a basis of and as a validation of parameterizations for climate models. While there is a global scale, long-term survey of water cloud droplet sizes (Han et al. 1994), there is no comparable study for cirrus ice crystals. In this paper a near-global survey of cirrus ice crystal sizes is conducted using ISCCP satellite data analysis. The retrieval scheme uses phase functions based upon hexagonal crystals calculated by a ray tracing technique. The results show that global mean values of D(e) are about 60 micro-m. This study also investigates the possible reasons for the significant difference between satellite retrieved effective radii (approx. 60 micro-m) and aircraft measured particle sizes (approx. 200 micro-m) during the FIRE I IFO experiment. They are (1) vertical inhomogeneity of cirrus particle sizes; (2) lower limit of the instrument used in aircraft measurements; (3) different definitions of effective particle sizes; and (4) possible inappropriate phase functions used in satellite retrieval.

A proton therapy model using discrete difference equations with an example of treating hepatocellular carcinoma.

PubMed

Bodine, Erin N; Monia, K Lars

2017-08-01

Proton therapy is a type of radiation therapy used to treat cancer. It provides more localized particle exposure than other types of radiotherapy (e.g., x-ray and electron) thus reducing damage to tissue surrounding a tumor and reducing unwanted side effects. We have developed a novel discrete difference equation model of the spatial and temporal dynamics of cancer and healthy cells before, during, and after the application of a proton therapy treatment course. Specifically, the model simulates the growth and diffusion of the cancer and healthy cells in and surrounding a tumor over one spatial dimension (tissue depth) and the treatment of the tumor with discrete bursts of proton radiation. We demonstrate how to use data from in vitro and clinical studies to parameterize the model. Specifically, we use data from studies of Hepatocellular carcinoma, a common form of liver cancer. Using the parameterized model we compare the ability of different clinically used treatment courses to control the tumor. Our results show that treatment courses which use conformal proton therapy (targeting the tumor from multiple angles) provides better control of the tumor while using lower treatment doses than a non-conformal treatment course, and thus should be recommend for use when feasible.

Parameterization of plume chemistry into large-scale atmospheric models: Application to aircraft NOx emissions

NASA Astrophysics Data System (ADS)

Cariolle, D.; Caro, D.; Paoli, R.; Hauglustaine, D. A.; CuéNot, B.; Cozic, A.; Paugam, R.

2009-10-01

A method is presented to parameterize the impact of the nonlinear chemical reactions occurring in the plume generated by concentrated NOx sources into large-scale models. The resulting plume parameterization is implemented into global models and used to evaluate the impact of aircraft emissions on the atmospheric chemistry. Compared to previous approaches that rely on corrected emissions or corrective factors to account for the nonlinear chemical effects, the present parameterization is based on the representation of the plume effects via a fuel tracer and a characteristic lifetime during which the nonlinear interactions between species are important and operate via rates of conversion for the NOx species and an effective reaction rates for O3. The implementation of this parameterization insures mass conservation and allows the transport of emissions at high concentrations in plume form by the model dynamics. Results from the model simulations of the impact on atmospheric ozone of aircraft NOx emissions are in rather good agreement with previous work. It is found that ozone production is decreased by 10 to 25% in the Northern Hemisphere with the largest effects in the north Atlantic flight corridor when the plume effects on the global-scale chemistry are taken into account. These figures are consistent with evaluations made with corrected emissions, but regional differences are noticeable owing to the possibility offered by this parameterization to transport emitted species in plume form prior to their dilution at large scale. This method could be further improved to make the parameters used by the parameterization function of the local temperature, humidity and turbulence properties diagnosed by the large-scale model. Further extensions of the method can also be considered to account for multistep dilution regimes during the plume dissipation. Furthermore, the present parameterization can be adapted to other types of point-source NOx emissions that have to be introduced in large-scale models, such as ship exhausts, provided that the plume life cycle, the type of emissions, and the major reactions involved in the nonlinear chemical systems can be determined with sufficient accuracy.

Polymorphism at 129 dictates metastable conformations of the human prion protein N-terminal β-sheet† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc03275c Click here for additional data file.

PubMed Central

Paz, S. Alexis; Vanden-Eijnden, Eric

2017-01-01

We study the thermodynamic stability of the native state of the human prion protein using a new free-energy method, replica-exchange on-the-fly parameterization. This method is designed to overcome hidden-variable sampling limitations to yield nearly error-free free-energy profiles along a conformational coordinate. We confirm that all four (M129V, D178N) polymorphs have a ground-state conformation with three intact β-sheet hydrogen bonds. Additionally, they are observed to have distinct metastabilities determined by the side-chain at position 129. We rationalize these findings with reference to the prion “strain” hypothesis, which links the variety of transmissible spongiform encephalopathy phenotypes to conformationally distinct infectious prion forms and classifies distinct phenotypes of sporadic Creutzfeldt-Jakob disease based solely on the 129 polymorphism. Because such metastable structures are not easily observed in structural experiments, our approach could potentially provide new insights into the conformational origins of prion diseases and other pathologies arising from protein misfolding and aggregation. PMID:28451263

Anisotropic shear dispersion parameterization for ocean eddy transport

NASA Astrophysics Data System (ADS)

Reckinger, Scott; Fox-Kemper, Baylor

2015-11-01

The effects of mesoscale eddies are universally treated isotropically in global ocean general circulation models. However, observations and simulations demonstrate that the mesoscale processes that the parameterization is intended to represent, such as shear dispersion, are typified by strong anisotropy. We extend the Gent-McWilliams/Redi mesoscale eddy parameterization to include anisotropy and test the effects of varying levels of anisotropy in 1-degree Community Earth System Model (CESM) simulations. Anisotropy has many effects on the simulated climate, including a reduction of temperature and salinity biases, a deepening of the southern ocean mixed-layer depth, impacts on the meridional overturning circulation and ocean energy and tracer uptake, and improved ventilation of biogeochemical tracers, particularly in oxygen minimum zones. A process-based parameterization to approximate the effects of unresolved shear dispersion is also used to set the strength and direction of anisotropy. The shear dispersion parameterization is similar to drifter observations in spatial distribution of diffusivity and high-resolution model diagnosis in the distribution of eddy flux orientation.

A unified spectral parameterization for wave breaking: From the deep ocean to the surf zone

NASA Astrophysics Data System (ADS)

Filipot, J.-F.; Ardhuin, F.

2012-11-01

A new wave-breaking dissipation parameterization designed for phase-averaged spectral wave models is presented. It combines wave breaking basic physical quantities, namely, the breaking probability and the dissipation rate per unit area. The energy lost by waves is first explicitly calculated in physical space before being distributed over the relevant spectral components. The transition from deep to shallow water is made possible by using a dissipation rate per unit area of breaking waves that varies with the wave height, wavelength and water depth. This parameterization is implemented in the WAVEWATCH III modeling framework, which is applied to a wide range of conditions and scales, from the global ocean to the beach scale. Wave height, peak and mean periods, and spectral data are validated using in situ and remote sensing data. Model errors are comparable to those of other specialized deep or shallow water parameterizations. This work shows that it is possible to have a seamless parameterization from the deep ocean to the surf zone.

Global model comparison of heterogeneous ice nucleation parameterizations in mixed phase clouds

NASA Astrophysics Data System (ADS)

Yun, Yuxing; Penner, Joyce E.

2012-04-01

A new aerosol-dependent mixed phase cloud parameterization for deposition/condensation/immersion (DCI) ice nucleation and one for contact freezing are compared to the original formulations in a coupled general circulation model and aerosol transport model. The present-day cloud liquid and ice water fields and cloud radiative forcing are analyzed and compared to observations. The new DCI freezing parameterization changes the spatial distribution of the cloud water field. Significant changes are found in the cloud ice water fraction and in the middle cloud fractions. The new DCI freezing parameterization predicts less ice water path (IWP) than the original formulation, especially in the Southern Hemisphere. The smaller IWP leads to a less efficient Bergeron-Findeisen process resulting in a larger liquid water path, shortwave cloud forcing, and longwave cloud forcing. It is found that contact freezing parameterizations have a greater impact on the cloud water field and radiative forcing than the two DCI freezing parameterizations that we compared. The net solar flux at top of atmosphere and net longwave flux at the top of the atmosphere change by up to 8.73 and 3.52 W m-2, respectively, due to the use of different DCI and contact freezing parameterizations in mixed phase clouds. The total climate forcing from anthropogenic black carbon/organic matter in mixed phase clouds is estimated to be 0.16-0.93 W m-2using the aerosol-dependent parameterizations. A sensitivity test with contact ice nuclei concentration in the original parameterization fit to that recommended by Young (1974) gives results that are closer to the new contact freezing parameterization.

Multimodel Uncertainty Changes in Simulated River Flows Induced by Human Impact Parameterizations

NASA Technical Reports Server (NTRS)

Liu, Xingcai; Tang, Qiuhong; Cui, Huijuan; Mu, Mengfei; Gerten Dieter; Gosling, Simon; Masaki, Yoshimitsu; Satoh, Yusuke; Wada, Yoshihide

2017-01-01

Human impacts increasingly affect the global hydrological cycle and indeed dominate hydrological changes in some regions. Hydrologists have sought to identify the human-impact-induced hydrological variations via parameterizing anthropogenic water uses in global hydrological models (GHMs). The consequently increased model complexity is likely to introduce additional uncertainty among GHMs. Here, using four GHMs, between-model uncertainties are quantified in terms of the ratio of signal to noise (SNR) for average river flow during 1971-2000 simulated in two experiments, with representation of human impacts (VARSOC) and without (NOSOC). It is the first quantitative investigation of between-model uncertainty resulted from the inclusion of human impact parameterizations. Results show that the between-model uncertainties in terms of SNRs in the VARSOC annual flow are larger (about 2 for global and varied magnitude for different basins) than those in the NOSOC, which are particularly significant in most areas of Asia and northern areas to the Mediterranean Sea. The SNR differences are mostly negative (-20 to 5, indicating higher uncertainty) for basin-averaged annual flow. The VARSOC high flow shows slightly lower uncertainties than NOSOC simulations, with SNR differences mostly ranging from -20 to 20. The uncertainty differences between the two experiments are significantly related to the fraction of irrigation areas of basins. The large additional uncertainties in VARSOC simulations introduced by the inclusion of parameterizations of human impacts raise the urgent need of GHMs development regarding a better understanding of human impacts. Differences in the parameterizations of irrigation, reservoir regulation and water withdrawals are discussed towards potential directions of improvements for future GHM development. We also discuss the advantages of statistical approaches to reduce the between-model uncertainties, and the importance of calibration of GHMs for not only better performances of historical simulations but also more robust and confidential future projections of hydrological changes under a changing environment.

Small Angle Neutron Scattering (sans) Studies on "SIDE-END FIXED" and "SIDE-ON FIXED" Liquid Crystal Polymers

NASA Astrophysics Data System (ADS)

Hardouin, F.; Noirez, L.; Keller, P.; Leroux, N.; Cotton, J. P.

The following sections are included: * Introduction * Experimental * Results and discussion * Determination of the backbone conformation in the nematic and smectic A phases of "side-end fixed" L.C. polymethacrylates (PMA) or polyacrylates (PA) * Determination of the global and backbone conformation in the nematic and smectic A phases of "side-end fixed" L.C. polysiloxanes (PMS) * Determination of the backbone conformation in the unique nematic phase (without smectic A phase) or in the reentrant nematic phase (below smectic A phase) of "side-end fixed" L.C. polyacrylates (PA) * Determination of the global conformation in the nematic phase of "side-on fixed" L.C. polysiloxanes (PMS) * Determination of the global conformation in the nematic phase of "diluted side-on fixed" L.C. copolysiloxanes * Determination of the backbone conformation in the nematic phase of "side-on fixed" L.C. polyacrylates * Conclusions * References

Balancing accuracy, efficiency, and flexibility in a radiative transfer parameterization for dynamical models

NASA Astrophysics Data System (ADS)

Pincus, R.; Mlawer, E. J.

2017-12-01

Radiation is key process in numerical models of the atmosphere. The problem is well-understood and the parameterization of radiation has seen relatively few conceptual advances in the past 15 years. It is nonthelss often the single most expensive component of all physical parameterizations despite being computed less frequently than other terms. This combination of cost and maturity suggests value in a single radiation parameterization that could be shared across models; devoting effort to a single parameterization might allow for fine tuning for efficiency. The challenge lies in the coupling of this parameterization to many disparate representations of clouds and aerosols. This talk will describe RRTMGP, a new radiation parameterization that seeks to balance efficiency and flexibility. This balance is struck by isolating computational tasks in "kernels" that expose as much fine-grained parallelism as possible. These have simple interfaces and are interoperable across programming languages so that they might be repalced by alternative implementations in domain-specific langauges. Coupling to the host model makes use of object-oriented features of Fortran 2003, minimizing branching within the kernels and the amount of data that must be transferred. We will show accuracy and efficiency results for a globally-representative set of atmospheric profiles using a relatively high-resolution spectral discretization.

Ocean carbon and heat variability in an Earth System Model

NASA Astrophysics Data System (ADS)

Thomas, J. L.; Waugh, D.; Gnanadesikan, A.

2016-12-01

Ocean carbon and heat content are very important for regulating global climate. Furthermore, due to lack of observations and dependence on parameterizations, there has been little consensus in the modeling community on the magnitude of realistic ocean carbon and heat content variability, particularly in the Southern Ocean. We assess the differences between global oceanic heat and carbon content variability in GFDL ESM2Mc using a 500-year, pre-industrial control simulation. The global carbon and heat content are directly out of phase with each other; however, in the Southern Ocean the heat and carbon content are in phase. The global heat mutli-decadal variability is primarily explained by variability in the tropics and mid-latitudes, while the variability in global carbon content is primarily explained by Southern Ocean variability. In order to test the robustness of this relationship, we use three additional pre-industrial control simulations using different mesoscale mixing parameterizations. Three pre-industrial control simulations are conducted with the along-isopycnal diffusion coefficient (Aredi) set to constant values of 400, 800 (control) and 2400 m2 s-1. These values for Aredi are within the range of parameter settings commonly used in modeling groups. Finally, one pre-industrial control simulation is conducted where the minimum in the Gent-McWilliams parameterization closure scheme (AGM) increased to 600 m2 s-1. We find that the different simulations have very different multi-decadal variability, especially in the Weddell Sea where the characteristics of deep convection are drastically changed. While the temporal frequency and amplitude global heat and carbon content changes significantly, the overall spatial pattern of variability remains unchanged between the simulations.

Conformal geodesics in spherically symmetric vacuum spacetimes with cosmological constant

NASA Astrophysics Data System (ADS)

García-Parrado Gómez-Lobo, A.; Gasperín, E.; Valiente Kroon, J. A.

2018-02-01

An analysis of conformal geodesics in the Schwarzschild–de Sitter and Schwarzschild–anti-de Sitter families of spacetimes is given. For both families of spacetimes we show that initial data on a spacelike hypersurface can be given such that the congruence of conformal geodesics arising from this data cover the whole maximal extension of canonical conformal representations of the spacetimes without forming caustic points. For the Schwarzschild–de Sitter family, the resulting congruence can be used to obtain global conformal Gaussian systems of coordinates of the conformal representation. In the case of the Schwarzschild–anti-de Sitter family, the natural parameter of the curves only covers a restricted time span so that these global conformal Gaussian systems do not exist.

Evaluating and Improving Wind Forecasts over South China: The Role of Orographic Parameterization in the GRAPES Model

NASA Astrophysics Data System (ADS)

Zhong, Shuixin; Chen, Zitong; Xu, Daosheng; Zhang, Yanxia

2018-06-01

Unresolved small-scale orographic (SSO) drags are parameterized in a regional model based on the Global/Regional Assimilation and Prediction System for the Tropical Mesoscale Model (GRAPES TMM). The SSO drags are represented by adding a sink term in the momentum equations. The maximum height of the mountain within the grid box is adopted in the SSO parameterization (SSOP) scheme as compensation for the drag. The effects of the unresolved topography are parameterized as the feedbacks to the momentum tendencies on the first model level in planetary boundary layer (PBL) parameterization. The SSOP scheme has been implemented and coupled with the PBL parameterization scheme within the model physics package. A monthly simulation is designed to examine the performance of the SSOP scheme over the complex terrain areas located in the southwest of Guangdong. The verification results show that the surface wind speed bias has been much alleviated by adopting the SSOP scheme, in addition to reduction of the wind bias in the lower troposphere. The target verification over Xinyi shows that the simulations with the SSOP scheme provide improved wind estimation over the complex regions in the southwest of Guangdong.

The zonally averaged transport characteristics of the atmosphere as determined by a general circulation model

NASA Technical Reports Server (NTRS)

Plumb, R. A.

1985-01-01

Two dimensional modeling has become an established technique for the simulation of the global structure of trace constituents. Such models are simpler to formulate and cheaper to operate than three dimensional general circulation models, while avoiding some of the gross simplifications of one dimensional models. Nevertheless, the parameterization of eddy fluxes required in a 2-D model is not a trivial problem. This fact has apparently led some to interpret the shortcomings of existing 2-D models as indicating that the parameterization procedure is wrong in principle. There are grounds to believe that these shortcomings result primarily from incorrect implementations of the predictions of eddy transport theory and that a properly based parameterization may provide a good basis for atmospheric modeling. The existence of these GCM-derived coefficients affords an unprecedented opportunity to test the validity of the flux-gradient parameterization. To this end, a zonally averaged (2-D) model was developed, using these coefficients in the transport parameterization. Results from this model for a number of contrived tracer experiments were compared with the parent GCM. The generally good agreement substantially validates the flus-gradient parameterization, and thus the basic principle of 2-D modeling.

Global Modeling and Data Assimilation. Volume 11; Documentation of the Tangent Linear and Adjoint Models of the Relaxed Arakawa-Schubert Moisture Parameterization of the NASA GEOS-1 GCM; 5.2

NASA Technical Reports Server (NTRS)

Suarez, Max J. (Editor); Yang, Wei-Yu; Todling, Ricardo; Navon, I. Michael

1997-01-01

A detailed description of the development of the tangent linear model (TLM) and its adjoint model of the Relaxed Arakawa-Schubert moisture parameterization package used in the NASA GEOS-1 C-Grid GCM (Version 5.2) is presented. The notational conventions used in the TLM and its adjoint codes are described in detail.

Using Field and Satellite Measurements to Improve Snow and Riming Processes in Cloud Resolving Models

NASA Technical Reports Server (NTRS)

Colle, Brian A.; Molthan, Andrew L.

2013-01-01

The representation of clouds in climate and weather models is a driver in forecast uncertainty. Cloud microphysics parameterizations are challenged by having to represent a diverse range of ice species. Key characteristics of predicted ice species include habit and fall speed, and complex interactions that result from mixed-phased processes like riming. Our proposed activity leverages Global Precipitation Measurement (GPM) Mission ground validation studies to improve parameterizations

Comprehensive assessment of parameterization methods for estimating clear-sky surface downward longwave radiation

NASA Astrophysics Data System (ADS)

Guo, Yamin; Cheng, Jie; Liang, Shunlin

2018-02-01

Surface downward longwave radiation (SDLR) is a key variable for calculating the earth's surface radiation budget. In this study, we evaluated seven widely used clear-sky parameterization methods using ground measurements collected from 71 globally distributed fluxnet sites. The Bayesian model averaging (BMA) method was also introduced to obtain a multi-model ensemble estimate. As a whole, the parameterization method of Carmona et al. (2014) performs the best, with an average BIAS, RMSE, and R 2 of - 0.11 W/m2, 20.35 W/m2, and 0.92, respectively, followed by the parameterization methods of Idso (1981), Prata (Q J R Meteorol Soc 122:1127-1151, 1996), Brunt and Sc (Q J R Meteorol Soc 58:389-420, 1932), and Brutsaert (Water Resour Res 11:742-744, 1975). The accuracy of the BMA is close to that of the parameterization method of Carmona et al. (2014) and comparable to that of the parameterization method of Idso (1981). The advantage of the BMA is that it achieves balanced results compared to the integrated single parameterization methods. To fully assess the performance of the parameterization methods, the effects of climate type, land cover, and surface elevation were also investigated. The five parameterization methods and BMA all failed over land with the tropical climate type, with high water vapor, and had poor results over forest, wetland, and ice. These methods achieved better results over desert, bare land, cropland, and grass and had acceptable accuracies for sites at different elevations, except for the parameterization method of Carmona et al. (2014) over high elevation sites. Thus, a method that can be successfully applied everywhere does not exist.

The global aerosol-climate model ECHAM-HAM, version 2: sensitivity to improvements in process representations

NASA Astrophysics Data System (ADS)

Zhang, K.; O'Donnell, D.; Kazil, J.; Stier, P.; Kinne, S.; Lohmann, U.; Ferrachat, S.; Croft, B.; Quaas, J.; Wan, H.; Rast, S.; Feichter, J.

2012-03-01

This paper introduces and evaluates the second version of the global aerosol-climate model ECHAM-HAM. Major changes have been brought into the model, including new parameterizations for aerosol nucleation and water uptake, an explicit treatment of secondary organic aerosols, modified emission calculations for sea salt and mineral dust, the coupling of aerosol microphysics to a two-moment stratiform cloud microphysics scheme, and alternative wet scavenging parameterizations. These revisions extend the model's capability to represent details of the aerosol lifecycle and its interaction with climate. Sensitivity experiments are carried out to analyse the effects of these improvements in the process representation on the simulated aerosol properties and global distribution. The new parameterizations that have largest impact on the global mean aerosol optical depth and radiative effects turn out to be the water uptake scheme and cloud microphysics. The former leads to a significant decrease of aerosol water contents in the lower troposphere, and consequently smaller optical depth; the latter results in higher aerosol loading and longer lifetime due to weaker in-cloud scavenging. The combined effects of the new/updated parameterizations are demonstrated by comparing the new model results with those from the earlier version, and against observations. Model simulations are evaluated in terms of aerosol number concentrations against measurements collected from twenty field campaigns as well as from fixed measurement sites, and in terms of optical properties against the AERONET measurements. Results indicate a general improvement with respect to the earlier version. The aerosol size distribution and spatial-temporal variance simulated by HAM2 are in better agreement with the observations. Biases in the earlier model version in aerosol optical depth and in the Ångström parameter have been reduced. The paper also points out the remaining model deficiencies that need to be addressed in the future.

The evolution of biomass-burning aerosol size distributions due to coagulation: dependence on fire and meteorological details and parameterization

NASA Astrophysics Data System (ADS)

Sakamoto, Kimiko M.; Laing, James R.; Stevens, Robin G.; Jaffe, Daniel A.; Pierce, Jeffrey R.

2016-06-01

Biomass-burning aerosols have a significant effect on global and regional aerosol climate forcings. To model the magnitude of these effects accurately requires knowledge of the size distribution of the emitted and evolving aerosol particles. Current biomass-burning inventories do not include size distributions, and global and regional models generally assume a fixed size distribution from all biomass-burning emissions. However, biomass-burning size distributions evolve in the plume due to coagulation and net organic aerosol (OA) evaporation or formation, and the plume processes occur on spacial scales smaller than global/regional-model grid boxes. The extent of this size-distribution evolution is dependent on a variety of factors relating to the emission source and atmospheric conditions. Therefore, accurately accounting for biomass-burning aerosol size in global models requires an effective aerosol size distribution that accounts for this sub-grid evolution and can be derived from available emission-inventory and meteorological parameters. In this paper, we perform a detailed investigation of the effects of coagulation on the aerosol size distribution in biomass-burning plumes. We compare the effect of coagulation to that of OA evaporation and formation. We develop coagulation-only parameterizations for effective biomass-burning size distributions using the SAM-TOMAS large-eddy simulation plume model. For the most-sophisticated parameterization, we use the Gaussian Emulation Machine for Sensitivity Analysis (GEM-SA) to build a parameterization of the aged size distribution based on the SAM-TOMAS output and seven inputs: emission median dry diameter, emission distribution modal width, mass emissions flux, fire area, mean boundary-layer wind speed, plume mixing depth, and time/distance since emission. This parameterization was tested against an independent set of SAM-TOMAS simulations and yields R2 values of 0.83 and 0.89 for Dpm and modal width, respectively. The size distribution is particularly sensitive to the mass emissions flux, fire area, wind speed, and time, and we provide simplified fits of the aged size distribution to just these input variables. The simplified fits were tested against 11 aged biomass-burning size distributions observed at the Mt. Bachelor Observatory in August 2015. The simple fits captured over half of the variability in observed Dpm and modal width even though the freshly emitted Dpm and modal widths were unknown. These fits may be used in global and regional aerosol models. Finally, we show that coagulation generally leads to greater changes in the particle size distribution than OA evaporation/formation does, using estimates of OA production/loss from the literature.

Modeling the Complex Photochemistry of Biomass Burning Plumes in Plume-Scale, Regional, and Global Air Quality Models

NASA Astrophysics Data System (ADS)

Alvarado, M. J.; Lonsdale, C. R.; Yokelson, R. J.; Travis, K.; Fischer, E. V.; Lin, J. C.

2014-12-01

Forecasting the impacts of biomass burning (BB) plumes on air quality is difficult due to the complex photochemistry that takes place in the concentrated young BB plumes. The spatial grid of global and regional scale Eulerian models is generally too large to resolve BB photochemistry, which can lead to errors in predicting the formation of secondary organic aerosol (SOA) and O3, as well as the partitioning of NOyspecies. AER's Aerosol Simulation Program (ASP v2.1) can be used within plume-scale Lagrangian models to simulate this complex photochemistry. We will present results of validation studies of the ASP model against aircraft observations of young BB smoke plumes. We will also present initial results from the coupling of ASP v2.1 into the Lagrangian particle dispersion model STILT-Chem in order to better examine the interactions between BB plume chemistry and dispersion. In addition, we have used ASP to develop a sub-grid scale parameterization of the near-source chemistry of BB plumes for use in regional and global air quality models. The parameterization takes inputs from the host model, such as solar zenith angle, temperature, and fire fuel type, and calculates enhancement ratios of O3, NOx, PAN, aerosol nitrate, and other NOy species, as well as organic aerosol (OA). We will present results from the ASP-based BB parameterization as well as its implementation into the global atmospheric composition model GEOS-Chem for the SEAC4RS campaign.

Constraining global dry deposition of ozone: observations and modeling

NASA Astrophysics Data System (ADS)

Silva, S. J.; Heald, C. L.

2016-12-01

Ozone loss through dry deposition to vegetation is a critically important process for both air quality and ecosystem health. Current estimates are that nearly 25% of all surface ozone is destroyed through dry deposition, and billions of dollars are lost annually due to losses of ecosystem services and agricultural yield associated with ozone damage. However there are still substantial uncertainties regarding the spatial distribution and magnitude of the global depositional flux. As land cover change continues throughout this century, dry deposition of ozone will change in ways that are yet still poorly understood. Nearly every major atmospheric chemistry model uses a variation of the "resistor in series parameterization" for the calculation of dry deposition. By far the most commonly implemented parameterization is of the form presented in Wesely (1989), and is dependent on many variables, including land type look up tables, solar radiation, leaf area index, temperature, and more. The uncertainties contained within the various parts of this parameterization have to date not been fully explored. A lack of understanding of these uncertainties, coupled with a dearth of routine measurements of ozone deposition, ultimately challenges our ability to understand the impacts of land cover change on surface ozone. In this work, we use a suite of globally-distributed observations from the past two decades and the GEOS-Chem chemical transport model to constrain global dry deposition, improve our understanding of these uncertainties, and contextualize the impact of land cover change on ozone concentrations.

Effect of a sheared flow on iceberg motion and melting

NASA Astrophysics Data System (ADS)

FitzMaurice, A.; Straneo, F.; Cenedese, C.; Andres, M.

2016-12-01

Icebergs account for approximately half the freshwater flux into the ocean from the Greenland and Antarctic ice sheets and play a major role in the distribution of meltwater into the ocean. Global climate models distribute this freshwater by parameterizing iceberg motion and melt, but these parameterizations are presently informed by limited observations. Here we present a record of speed and draft for 90 icebergs from Sermilik Fjord, southeastern Greenland, collected in conjunction with wind and ocean velocity data over an 8 month period. It is shown that icebergs subject to strongly sheared flows predominantly move with the vertical average of the ocean currents. If, as typical in iceberg parameterizations, only the surface ocean velocity is taken into account, iceberg speed and basal melt may have errors in excess of 60%. These results emphasize the need for parameterizations to consider ocean properties over the entire iceberg draft.

The Impact of Parameterized Convection on Climatological Precipitation in Atmospheric Global Climate Models

NASA Astrophysics Data System (ADS)

Maher, Penelope; Vallis, Geoffrey K.; Sherwood, Steven C.; Webb, Mark J.; Sansom, Philip G.

2018-04-01

Convective parameterizations are widely believed to be essential for realistic simulations of the atmosphere. However, their deficiencies also result in model biases. The role of convection schemes in modern atmospheric models is examined using Selected Process On/Off Klima Intercomparison Experiment simulations without parameterized convection and forced with observed sea surface temperatures. Convection schemes are not required for reasonable climatological precipitation. However, they are essential for reasonable daily precipitation and constraining extreme daily precipitation that otherwise develops. Systematic effects on lapse rate and humidity are likewise modest compared with the intermodel spread. Without parameterized convection Kelvin waves are more realistic. An unexpectedly large moist Southern Hemisphere storm track bias is identified. This storm track bias persists without convection schemes, as does the double Intertropical Convergence Zone and excessive ocean precipitation biases. This suggests that model biases originate from processes other than convection or that convection schemes are missing key processes.

Final Technical Report for "High-resolution global modeling of the effects of subgrid-scale clouds and turbulence on precipitating cloud systems"

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

Larson, Vincent

2016-11-25

The Multiscale Modeling Framework (MMF) embeds a cloud-resolving model in each grid column of a General Circulation Model (GCM). A MMF model does not need to use a deep convective parameterization, and thereby dispenses with the uncertainties in such parameterizations. However, MMF models grossly under-resolve shallow boundary-layer clouds, and hence those clouds may still benefit from parameterization. In this grant, we successfully created a climate model that embeds a cloud parameterization (“CLUBB”) within a MMF model. This involved interfacing CLUBB’s clouds with microphysics and reducing computational cost. We have evaluated the resulting simulated clouds and precipitation with satellite observations. Themore » chief benefit of the project is to provide a MMF model that has an improved representation of clouds and that provides improved simulations of precipitation.« less

The Earth’s Population Can Reach 14 Billion in the 23rd Century without Significant Adverse Effects on Survivability

PubMed Central

Krapivin, Vladimir F.; Varotsos, Costas A.; Soldatov, Vladimir Yu.

2017-01-01

This paper presents the results obtained from the study of the sustainable state between nature and human society on a global scale, focusing on the most critical interactions between the natural and anthropogenic processes. Apart from the conventional global models, the basic tool employed herein is the newly proposed complex model entitled “nature-society system (NSS) model”, through which a reliable modeling of the processes taking place in the global climate-nature-society system (CNSS) is achieved. This universal tool is mainly based on the information technology that allows the adaptive conformance of the parametric and functional space of this model. The structure of this model includes the global biogeochemical cycles, the hydrological cycle, the demographic processes and a simple climate model. In this model, the survivability indicator is used as a criterion for the survival of humanity, which defines a trend in the dynamics of the total biomass of the biosphere, taking into account the trends of the biocomplexity dynamics of the land and hydrosphere ecosystems. It should be stressed that there are no other complex global models comparable to those of the CNSS model developed here. The potential of this global model is demonstrated through specific examples in which the classification of the terrestrial ecosystem is accomplished by separating 30 soil-plant formations for geographic pixels 4° × 5°. In addition, humanity is considered to be represented by three groups of economic development status (high, transition, developing) and the World Ocean is parameterized by three latitude zones (low, middle, high). The modelling results obtained show the dynamics of the CNSS at the beginning of the 23rd century, according to which the world population can reach the level of 14 billion without the occurrence of major negative impacts. PMID:28783136

Structural test of the parameterized-backbone method for protein design.

PubMed

Plecs, Joseph J; Harbury, Pehr B; Kim, Peter S; Alber, Tom

2004-09-03

Designing new protein folds requires a method for simultaneously optimizing the conformation of the backbone and the side-chains. One approach to this problem is the use of a parameterized backbone, which allows the systematic exploration of families of structures. We report the crystal structure of RH3, a right-handed, three-helix coiled coil that was designed using a parameterized backbone and detailed modeling of core packing. This crystal structure was determined using another rationally designed feature, a metal-binding site that permitted experimental phasing of the X-ray data. RH3 adopted the intended fold, which has not been observed previously in biological proteins. Unanticipated structural asymmetry in the trimer was a principal source of variation within the RH3 structure. The sequence of RH3 differs from that of a previously characterized right-handed tetramer, RH4, at only one position in each 11 amino acid sequence repeat. This close similarity indicates that the design method is sensitive to the core packing interactions that specify the protein structure. Comparison of the structures of RH3 and RH4 indicates that both steric overlap and cavity formation provide strong driving forces for oligomer specificity.

Uncertainty in Modeling Dust Mass Balance and Radiative Forcing from Size Parameterization

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

Zhao, Chun; Chen, Siyu; Leung, Lai-Yung R.

2013-11-05

This study examines the uncertainties in simulating mass balance and radiative forcing of mineral dust due to biases in the aerosol size parameterization. Simulations are conducted quasi-globally (180oW-180oE and 60oS-70oN) using the WRF24 Chem model with three different approaches to represent aerosol size distribution (8-bin, 4-bin, and 3-mode). The biases in the 3-mode or 4-bin approaches against a relatively more accurate 8-bin approach in simulating dust mass balance and radiative forcing are identified. Compared to the 8-bin approach, the 4-bin approach simulates similar but coarser size distributions of dust particles in the atmosphere, while the 3-mode pproach retains more finemore » dust particles but fewer coarse dust particles due to its prescribed og of each mode. Although the 3-mode approach yields up to 10 days longer dust mass lifetime over the remote oceanic regions than the 8-bin approach, the three size approaches produce similar dust mass lifetime (3.2 days to 3.5 days) on quasi-global average, reflecting that the global dust mass lifetime is mainly determined by the dust mass lifetime near the dust source regions. With the same global dust emission (~6000 Tg yr-1), the 8-bin approach produces a dust mass loading of 39 Tg, while the 4-bin and 3-mode approaches produce 3% (40.2 Tg) and 25% (49.1 Tg) higher dust mass loading, respectively. The difference in dust mass loading between the 8-bin approach and the 4-bin or 3-mode approaches has large spatial variations, with generally smaller relative difference (<10%) near the surface over the dust source regions. The three size approaches also result in significantly different dry and wet deposition fluxes and number concentrations of dust. The difference in dust aerosol optical depth (AOD) (a factor of 3) among the three size approaches is much larger than their difference (25%) in dust mass loading. Compared to the 8-bin approach, the 4-bin approach yields stronger dust absorptivity, while the 3-mode approach yields weaker dust absorptivity. Overall, on quasi-global average, the three size parameterizations result in a significant difference of a factor of 2~3 in dust surface cooling (-1.02~-2.87 W m-2) and atmospheric warming (0.39~0.96 W m-2) and in a tremendous difference of a factor of ~10 in dust TOA cooling (-0.24~-2.20 W m-2). An uncertainty of a factor of 2 is quantified in dust emission estimation due to the different size parameterizations. This study also highlights the uncertainties in modeling dust mass and number loading, deposition fluxes, and radiative forcing resulting from different size parameterizations, and motivates further investigation of the impact of size parameterizations on modeling dust impacts on air quality, climate, and ecosystem.« less

Global evaluation of particulate organic carbon flux parameterizations and implications for atmospheric pCO2

NASA Astrophysics Data System (ADS)

Gloege, Lucas; McKinley, Galen A.; Mouw, Colleen B.; Ciochetto, Audrey B.

2017-07-01

The shunt of photosynthetically derived particulate organic carbon (POC) from the euphotic zone and deep remineralization comprises the basic mechanism of the "biological carbon pump." POC raining through the "twilight zone" (euphotic depth to 1 km) and "midnight zone" (1 km to 4 km) is remineralized back to inorganic form through respiration. Accurately modeling POC flux is critical for understanding the "biological pump" and its impacts on air-sea CO2 exchange and, ultimately, long-term ocean carbon sequestration. Yet commonly used parameterizations have not been tested quantitatively against global data sets using identical modeling frameworks. Here we use a single one-dimensional physical-biogeochemical modeling framework to assess three common POC flux parameterizations in capturing POC flux observations from moored sediment traps and thorium-234 depletion. The exponential decay, Martin curve, and ballast model are compared to data from 11 biogeochemical provinces distributed across the globe. In each province, the model captures satellite-based estimates of surface primary production within uncertainties. Goodness of fit is measured by how well the simulation captures the observations, quantified by bias and the root-mean-square error and displayed using "target diagrams." Comparisons are presented separately for the twilight zone and midnight zone. We find that the ballast hypothesis shows no improvement over a globally or regionally parameterized Martin curve. For all provinces taken together, Martin's b that best fits the data is [0.70, 0.98]; this finding reduces by at least a factor of 3 previous estimates of potential impacts on atmospheric pCO2 of uncertainty in POC export to a more modest range [-16 ppm, +12 ppm].

An Overview of Numerical Weather Prediction on Various Scales

NASA Astrophysics Data System (ADS)

Bao, J.-W.

2009-04-01

The increasing public need for detailed weather forecasts, along with the advances in computer technology, has motivated many research institutes and national weather forecasting centers to develop and run global as well as regional numerical weather prediction (NWP) models at high resolutions (i.e., with horizontal resolutions of ~10 km or higher for global models and 1 km or higher for regional models, and with ~60 vertical levels or higher). The need for running NWP models at high horizontal and vertical resolutions requires the implementation of non-hydrostatic dynamic core with a choice of horizontal grid configurations and vertical coordinates that are appropriate for high resolutions. Development of advanced numerics will also be needed for high resolution global and regional models, in particular, when the models are applied to transport problems and air quality applications. In addition to the challenges in numerics, the NWP community is also facing the challenges of developing physics parameterizations that are well suited for high-resolution NWP models. For example, when NWP models are run at resolutions of ~5 km or higher, the use of much more detailed microphysics parameterizations than those currently used in NWP model will become important. Another example is that regional NWP models at ~1 km or higher only partially resolve convective energy containing eddies in the lower troposphere. Parameterizations to account for the subgrid diffusion associated with unresolved turbulence still need to be developed. Further, physically sound parameterizations for air-sea interaction will be a critical component for tropical NWP models, particularly for hurricane predictions models. In this review presentation, the above issues will be elaborated on and the approaches to address them will be discussed.

A physically-based approach of treating dust-water cloud interactions in climate models

NASA Astrophysics Data System (ADS)

Kumar, P.; Karydis, V.; Barahona, D.; Sokolik, I. N.; Nenes, A.

2011-12-01

All aerosol-cloud-climate assessment studies to date assume that the ability of dust (and other insoluble species) to act as a Cloud Condensation Nuclei (CCN) is determined solely by their dry size and amount of soluble material. Recent evidence however clearly shows that dust can act as efficient CCN (even if lacking appreciable amounts of soluble material) through adsorption of water vapor onto the surface of the particle. This "inherent" CCN activity is augmented as the dust accumulates soluble material through atmospheric aging. A comprehensive treatment of dust-cloud interactions therefore requires including both of these sources of CCN activity in atmospheric models. This study presents a "unified" theory of CCN activity that considers both effects of adsorption and solute. The theory is corroborated and constrained with experiments of CCN activity of mineral aerosols generated from clays, calcite, quartz, dry lake beds and desert soil samples from Northern Africa, East Asia/China, and Northern America. The unified activation theory then is included within the mechanistic droplet activation parameterization of Kumar et al. (2009) (including the giant CCN correction of Barahona et al., 2010), for a comprehensive treatment of dust impacts on global CCN and cloud droplet number. The parameterization is demonstrated with the NASA Global Modeling Initiative (GMI) Chemical Transport Model using wind fields computed with the Goddard Institute for Space Studies (GISS) general circulation model. References Barahona, D. et al. (2010) Comprehensively Accounting for the Effect of Giant CCN in Cloud Activation Parameterizations, Atmos.Chem.Phys., 10, 2467-2473 Kumar, P., I.N. Sokolik, and A. Nenes (2009), Parameterization of cloud droplet formation for global and regional models: including adsorption activation from insoluble CCN, Atmos.Chem.Phys., 9, 2517- 2532

The Grell-Freitas Convective Parameterization: Recent Developments and Applications Within the NASA GEOS Global Model

NASA Astrophysics Data System (ADS)

Freitas, S.; Grell, G. A.; Molod, A.

2017-12-01

We implemented and began to evaluate an alternative convection parameterization for the NASA Goddard Earth Observing System (GEOS) global model. The parameterization (Grell and Freitas, 2014) is based on the mass flux approach with several closures, for equilibrium and non-equilibrium convection, and includes scale and aerosol awareness functionalities. Scale dependence for deep convection is implemented either through using the method described by Arakawa et al (2011), or through lateral spreading of the subsidence terms. Aerosol effects are included though the dependence of autoconversion and evaporation on the CCN number concentration.Recently, the scheme has been extended to a tri-modal spectral size approach to simulate the transition from shallow, congestus, and deep convection regimes. In addition, the inclusion of a new closure for non-equilibrium convection resulted in a substantial gain of realism in model simulation of the diurnal cycle of convection over the land. Also, a beta-pdf is employed now to represent the normalized mass flux profile. This opens up an additional venue to apply stochasticism in the scheme.

Conformational dynamics of a protein in the folded and the unfolded state

NASA Astrophysics Data System (ADS)

Fitter, Jörg

2003-08-01

In a quasielastic neutron scattering experiment, the picosecond dynamics of α-amylase was investigated for the folded and the unfolded state of the protein. In order to ensure a reasonable interpretation of the internal protein dynamics, the protein was measured in D 2O-buffer solution. The much higher structural flexibility of the pH induced unfolded state as compared to the native folded state was quantified using a simple analytical model, describing a local diffusion inside a sphere. In terms of this model the conformational volume, which is explored mainly by confined protein side-chain movements, is parameterized by the radius of a sphere (folded state, r=1.2 Å; unfolded state, 1.8 Å). Differences in conformational dynamics between the folded and the unfolded state of a protein are of fundamental interest in the field of protein science, because they are assumed to play an important role for the thermodynamics of folding/unfolding transition and for protein stability.

Evaluation of Aerosol-cloud Interaction in the GISS Model E Using ARM Observations

NASA Technical Reports Server (NTRS)

DeBoer, G.; Bauer, S. E.; Toto, T.; Menon, Surabi; Vogelmann, A. M.

2013-01-01

Observations from the US Department of Energy's Atmospheric Radiation Measurement (ARM) program are used to evaluate the ability of the NASA GISS ModelE global climate model in reproducing observed interactions between aerosols and clouds. Included in the evaluation are comparisons of basic meteorology and aerosol properties, droplet activation, effective radius parameterizations, and surface-based evaluations of aerosol-cloud interactions (ACI). Differences between the simulated and observed ACI are generally large, but these differences may result partially from vertical distribution of aerosol in the model, rather than the representation of physical processes governing the interactions between aerosols and clouds. Compared to the current observations, the ModelE often features elevated droplet concentrations for a given aerosol concentration, indicating that the activation parameterizations used may be too aggressive. Additionally, parameterizations for effective radius commonly used in models were tested using ARM observations, and there was no clear superior parameterization for the cases reviewed here. This lack of consensus is demonstrated to result in potentially large, statistically significant differences to surface radiative budgets, should one parameterization be chosen over another.

A Testbed for Model Development

NASA Astrophysics Data System (ADS)

Berry, J. A.; Van der Tol, C.; Kornfeld, A.

2014-12-01

Carbon cycle and land-surface models used in global simulations need to be computationally efficient and have a high standard of software engineering. These models also make a number of scaling assumptions to simplify the representation of complex biochemical and structural properties of ecosystems. This makes it difficult to use these models to test new ideas for parameterizations or to evaluate scaling assumptions. The stripped down nature of these models also makes it difficult to "connect" with current disciplinary research which tends to be focused on much more nuanced topics than can be included in the models. In our opinion/experience this indicates the need for another type of model that can more faithfully represent the complexity ecosystems and which has the flexibility to change or interchange parameterizations and to run optimization codes for calibration. We have used the SCOPE (Soil Canopy Observation, Photochemistry and Energy fluxes) model in this way to develop, calibrate, and test parameterizations for solar induced chlorophyll fluorescence, OCS exchange and stomatal parameterizations at the canopy scale. Examples of the data sets and procedures used to develop and test new parameterizations are presented.

Comparison of Gravity Wave Temperature Variances from Ray-Based Spectral Parameterization of Convective Gravity Wave Drag with AIRS Observations

NASA Technical Reports Server (NTRS)

Choi, Hyun-Joo; Chun, Hye-Yeong; Gong, Jie; Wu, Dong L.

2012-01-01

The realism of ray-based spectral parameterization of convective gravity wave drag, which considers the updated moving speed of the convective source and multiple wave propagation directions, is tested against the Atmospheric Infrared Sounder (AIRS) onboard the Aqua satellite. Offline parameterization calculations are performed using the global reanalysis data for January and July 2005, and gravity wave temperature variances (GWTVs) are calculated at z = 2.5 hPa (unfiltered GWTV). AIRS-filtered GWTV, which is directly compared with AIRS, is calculated by applying the AIRS visibility function to the unfiltered GWTV. A comparison between the parameterization calculations and AIRS observations shows that the spatial distribution of the AIRS-filtered GWTV agrees well with that of the AIRS GWTV. However, the magnitude of the AIRS-filtered GWTV is smaller than that of the AIRS GWTV. When an additional cloud top gravity wave momentum flux spectrum with longer horizontal wavelength components that were obtained from the mesoscale simulations is included in the parameterization, both the magnitude and spatial distribution of the AIRS-filtered GWTVs from the parameterization are in good agreement with those of the AIRS GWTVs. The AIRS GWTV can be reproduced reasonably well by the parameterization not only with multiple wave propagation directions but also with two wave propagation directions of 45 degrees (northeast-southwest) and 135 degrees (northwest-southeast), which are optimally chosen for computational efficiency.

A Comparison of Parameterizations of Secondary Organic Aerosol Production: Global Budget and Spatiotemporal Variability

NASA Astrophysics Data System (ADS)

Liu, J.; Chen, Z.; Horowitz, L. W.; Carlton, A. M. G.; Fan, S.; Cheng, Y.; Ervens, B.; Fu, T. M.; He, C.; Tao, S.

2014-12-01

Secondary organic aerosols (SOA) have a profound influence on air quality and climate, but large uncertainties exist in modeling SOA on the global scale. In this study, five SOA parameterization schemes, including a two-product model (TPM), volatility basis-set (VBS) and three cloud SOA schemes (Ervens et al. (2008, 2014), Fu et al. (2008) , and He et al. (2013)), are implemented into the global chemical transport model (MOZART-4). For each scheme, model simulations are conducted with identical boundary and initial conditions. The VBS scheme produces the highest global annual SOA production (close to 35 Tg·y-1), followed by three cloud schemes (26-30 Tg·y-1) and TPM (23 Tg·y-1). Though sharing a similar partitioning theory to the TPM scheme, the VBS approach simulates the chemical aging of multiple generations of VOCs oxidation products, resulting in a much larger SOA source, particularly from aromatic species, over Europe, the Middle East and Eastern America. The formation of SOA in VBS, which represents the net partitioning of semi-volatile organic compounds from vapor to condensed phase, is highly sensitivity to the aging and wet removal processes of vapor-phase organic compounds. The production of SOA from cloud processes (SOAcld) is constrained by the coincidence of liquid cloud water and water-soluble organic compounds. Therefore, all cloud schemes resolve a fairly similar spatial pattern over the tropical and the mid-latitude continents. The spatiotemporal diversity among SOA parameterizations is largely driven by differences in precursor inputs. Therefore, a deeper understanding of the evolution, wet removal, and phase partitioning of semi-volatile organic compounds, particularly above remote land and oceanic areas, is critical to better constrain the global-scale distribution and related climate forcing of secondary organic aerosols.

Modeling the formation and aging of secondary organic aerosols in Los Angeles during CalNex 2010

NASA Astrophysics Data System (ADS)

Hayes, P. L.; Carlton, A. G.; Baker, K. R.; Ahmadov, R.; Washenfelder, R. A.; Alvarez, S.; Rappenglück, B.; Gilman, J. B.; Kuster, W. C.; de Gouw, J. A.; Zotter, P.; Prévôt, A. S. H.; Szidat, S.; Kleindienst, T. E.; Offenberg, J. H.; Jimenez, J. L.

2014-12-01

Four different parameterizations for the formation and evolution of secondary organic aerosol (SOA) are evaluated using a 0-D box model representing the Los Angeles Metropolitan Region during the CalNex 2010 field campaign. We constrain the model predictions with measurements from several platforms and compare predictions with particle and gas-phase observations from the CalNex Pasadena ground site. That site provides a unique opportunity to study aerosol formation close to anthropogenic emission sources with limited recirculation. The model SOA formed only from the oxidation of VOCs (V-SOA) is insufficient to explain the observed SOA concentrations, even when using SOA parameterizations with multi-generation oxidation that produce much higher yields than have been observed in chamber experiments, or when increasing yields to their upper limit estimates accounting for recently reported losses of vapors to chamber walls. The Community Multiscale Air Quality (WRF-CMAQ) model (version 5.0.1) provides excellent predictions of secondary inorganic particle species but underestimates the observed SOA mass by a factor of 25 when an older VOC-only parameterization is used, which is consistent with many previous model-measurement comparisons for pre-2007 anthropogenic SOA modules in urban areas. Including SOA from primary semi-volatile and intermediate volatility organic compounds (P-S/IVOCs) following the parameterizations of Robinson et al. (2007), Grieshop et al. (2009), or Pye and Seinfeld (2010) improves model/measurement agreement for mass concentration. When comparing the three parameterizations, the Grieshop et al. (2009) parameterization more accurately reproduces both the SOA mass concentration and oxygen-to-carbon ratio inside the urban area. Our results strongly suggest that other precursors besides VOCs, such as P-S/IVOCs, are needed to explain the observed SOA concentrations in Pasadena. All the parameterizations over-predict urban SOA formation at long photochemical ages (≈ 3 days) compared to observations from multiple sites, which can lead to problems in regional and global modeling. Among the explicitly modeled VOCs, the precursor compounds that contribute the greatest SOA mass are methylbenzenes. Polycyclic aromatic hydrocarbons (PAHs) are less important precursors and contribute less than 4% of the SOA mass. The amounts of SOA mass from diesel vehicles, gasoline vehicles, and cooking emissions are estimated to be 16-27, 35-61, and 19-35%, respectively, depending on the parameterization used, which is consistent with the observed fossil fraction of urban SOA, 71 (±3) %. In-basin biogenic VOCs are predicted to contribute only a few percent to SOA. A regional SOA background of approximately 2.1 μg m-3 is also present due to the long distance transport of highly aged OA. The percentage of SOA from diesel vehicle emissions is the same, within the estimated uncertainty, as reported in previous work that analyzed the weekly cycles in OA concentrations (Bahreini et al., 2012; Hayes et al., 2013). However, the modeling work presented here suggests a strong anthropogenic source of modern carbon in SOA, due to cooking emissions, which was not accounted for in those previous studies. Lastly, this work adapts a simple two-parameter model to predict SOA concentration and O/C from urban emissions. This model successfully predicts SOA concentration, and the optimal parameter combination is very similar to that found for Mexico City. This approach provides a computationally inexpensive method for predicting urban SOA in global and climate models. We estimate pollution SOA to account for 26 Tg yr-1 of SOA globally, or 17% of global SOA, 1/3 of which is likely to be non-fossil.

ARM - Midlatitude Continental Convective Clouds

DOE Data Explorer

Jensen, Mike; Bartholomew, Mary Jane; Genio, Anthony Del; Giangrande, Scott; Kollias, Pavlos

2012-01-19

Convective processes play a critical role in the Earth's energy balance through the redistribution of heat and moisture in the atmosphere and their link to the hydrological cycle. Accurate representation of convective processes in numerical models is vital towards improving current and future simulations of Earths climate system. Despite improvements in computing power, current operational weather and global climate models are unable to resolve the natural temporal and spatial scales important to convective processes and therefore must turn to parameterization schemes to represent these processes. In turn, parameterization schemes in cloud-resolving models need to be evaluated for their generality and application to a variety of atmospheric conditions. Data from field campaigns with appropriate forcing descriptors have been traditionally used by modelers for evaluating and improving parameterization schemes.

ARM - Midlatitude Continental Convective Clouds (comstock-hvps)

DOE Data Explorer

Jensen, Mike; Comstock, Jennifer; Genio, Anthony Del; Giangrande, Scott; Kollias, Pavlos

2012-01-06

Convective processes play a critical role in the Earth's energy balance through the redistribution of heat and moisture in the atmosphere and their link to the hydrological cycle. Accurate representation of convective processes in numerical models is vital towards improving current and future simulations of Earths climate system. Despite improvements in computing power, current operational weather and global climate models are unable to resolve the natural temporal and spatial scales important to convective processes and therefore must turn to parameterization schemes to represent these processes. In turn, parameterization schemes in cloud-resolving models need to be evaluated for their generality and application to a variety of atmospheric conditions. Data from field campaigns with appropriate forcing descriptors have been traditionally used by modelers for evaluating and improving parameterization schemes.

Remote sensing technology research and instrumentation platform design

NASA Technical Reports Server (NTRS)

1992-01-01

An instrumented pallet concept and definition of an aircraft with performance and payload capability to meet NASA's airborne turbulent flux measurement needs for advanced multiple global climate research and field experiments is presented. The report addresses airborne measurement requirements for general circulation model sub-scale parameterization research, specifies instrumentation capable of making these measurements, and describes a preliminary support pallet design. Also, a review of aircraft types and a recommendation of a manned and an unmanned aircraft capable of meeting flux parameterization research needs is given.

FINAL REPORT (DE-FG02-97ER62338): Single-column modeling, GCM parameterizations, and ARM data

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

Richard C. J. Somerville

2009-02-27

Our overall goal is the development of new and improved parameterizations of cloud-radiation effects and related processes, using ARM data at all three ARM sites, and the implementation and testing of these parameterizations in global models. To test recently developed prognostic parameterizations based on detailed cloud microphysics, we have compared SCM (single-column model) output with ARM observations at the SGP, NSA and TWP sites. We focus on the predicted cloud amounts and on a suite of radiative quantities strongly dependent on clouds, such as downwelling surface shortwave radiation. Our results demonstrate the superiority of parameterizations based on comprehensive treatments ofmore » cloud microphysics and cloud-radiative interactions. At the SGP and NSA sites, the SCM results simulate the ARM measurements well and are demonstrably more realistic than typical parameterizations found in conventional operational forecasting models. At the TWP site, the model performance depends strongly on details of the scheme, and the results of our diagnostic tests suggest ways to develop improved parameterizations better suited to simulating cloud-radiation interactions in the tropics generally. These advances have made it possible to take the next step and build on this progress, by incorporating our parameterization schemes in state-of-the-art three-dimensional atmospheric models, and diagnosing and evaluating the results using independent data. Because the improved cloud-radiation results have been obtained largely via implementing detailed and physically comprehensive cloud microphysics, we anticipate that improved predictions of hydrologic cycle components, and hence of precipitation, may also be achievable.« less

Sensitivity of Pacific Cold Tongue and Double-ITCZ Bias to Convective Parameterization

NASA Astrophysics Data System (ADS)

Woelfle, M.; Bretherton, C. S.; Pritchard, M. S.; Yu, S.

2016-12-01

Many global climate models struggle to accurately simulate annual mean precipitation and sea surface temperature (SST) fields in the tropical Pacific basin. Precipitation biases are dominated by the double intertropical convergence zone (ITCZ) bias where models exhibit precipitation maxima straddling the equator while only a single Northern Hemispheric maximum exists in observations. The major SST bias is the enhancement of the equatorial cold tongue. A series of coupled model simulations are used to investigate the sensitivity of the bias development to convective parameterization. Model components are initialized independently prior to coupling to allow analysis of the transient response of the system directly following coupling. These experiments show precipitation and SST patterns to be highly sensitive to convective parameterization. Simulations in which the deep convective parameterization is disabled forcing all convection to be resolved by the shallow convection parameterization showed a degradation in both the cold tongue and double-ITCZ biases as precipitation becomes focused into off-equatorial regions of local SST maxima. Simulations using superparameterization in place of traditional cloud parameterizations showed a reduced cold tongue bias at the expense of additional precipitation biases. The equatorial SST responses to changes in convective parameterization are driven by changes in near equatorial zonal wind stress. The sensitivity of convection to SST is important in determining the precipitation and wind stress fields. However, differences in convective momentum transport also play a role. While no significant improvement is seen in these simulations of the double-ITCZ, the system's sensitivity to these changes reaffirm that improved convective parameterizations may provide an avenue for improving simulations of tropical Pacific precipitation and SST.

A computational study of open-chain epothilone analogue

NASA Astrophysics Data System (ADS)

Kamel, Karol; Rusinska-Roszak, Danuta

Molecular mechanics (MM/Ambers) calculations were applied to probe the conformational profile of open-chain epothilone analogue [Org Lett 2006, 8, 685], cytotoxic against some cell lines. Geometries of the most stable conformers were optimized at DFT level using the B3LYP functional and then compared to known both experimental and virtual conformers of epothilone. One of the most stable structures is III (1.47 kcal/mol above global minimum) which represents high similarity to the appropriate fragment of the Taylor's model of epothilone A, but two other conformers: XIV and XX, although they have almost the same conformation as the mother structure, are very unstable (6.7 and 12.4 kcal/mol above the global minimum).0

Global Effects of SuperParameterization on Hydro-Thermal Land-Atmosphere Coupling on Multiple Timescales and an Amplification of the Bowen Ratio

NASA Astrophysics Data System (ADS)

Qin, H.; Pritchard, M. S.; Kooperman, G. J.; Parishani, H.

2017-12-01

Conventional General Circulation Models (GCMs) in the Global Land-Atmosphere Coupling Experiment (GLACE) tend to produce overly strong Land-Atmosphere coupling (L-A coupling) strength. We investigate the effects of cloud SuperParameterization (SP) on L-A coupling on timescales longer than the diurnal where it has been previously shown to have a strong effect. Using the Community Atmosphere Model v3.5 (CAM3.5) and its SuperParameterized counterpart SPCAM3.5, we conducted experiments following the GLACE and Atmospheric Model Intercomparison Project (AMIP) protocols. On synoptic-to-subseasonal timescales, SP significantly mutes hydrologic L-A coupling on a global scale, through the atmospheric segment. But on longer seasonal timescales, SP does not exhibit detectable effects on hydrologic L-A coupling. Two regional effects of SP on thermal L-A coupling are also discovered and explored. Over the Arabian Peninsula, SP strikingly reduces thermal L-A coupling due to a control by mean regional rainfall reduction. Over the Southwestern US and Northern Mexico, however, SP remarkably enhances the thermal L-A coupling independent of rainfall or soil moisture. We argue that the cause may be a previously unrecognized effect of SP to amplify the simulated Bowen ratio. Not only does this help reconcile a puzzling local enhancement of thermal L-A coupling over the Southwestern US, but it is also demonstrated to be a robust, global effect of SP over land that is independent of model version and experiment design, and that has important consequences for climate change prediction.

Statistical models of global Langmuir mixing

NASA Astrophysics Data System (ADS)

Li, Qing; Fox-Kemper, Baylor; Breivik, Øyvind; Webb, Adrean

2017-05-01

The effects of Langmuir mixing on the surface ocean mixing may be parameterized by applying an enhancement factor which depends on wave, wind, and ocean state to the turbulent velocity scale in the K-Profile Parameterization. Diagnosing the appropriate enhancement factor online in global climate simulations is readily achieved by coupling with a prognostic wave model, but with significant computational and code development expenses. In this paper, two alternatives that do not require a prognostic wave model, (i) a monthly mean enhancement factor climatology, and (ii) an approximation to the enhancement factor based on the empirical wave spectra, are explored and tested in a global climate model. Both appear to reproduce the Langmuir mixing effects as estimated using a prognostic wave model, with nearly identical and substantial improvements in the simulated mixed layer depth and intermediate water ventilation over control simulations, but significantly less computational cost. Simpler approaches, such as ignoring Langmuir mixing altogether or setting a globally constant Langmuir number, are found to be deficient. Thus, the consequences of Stokes depth and misaligned wind and waves are important.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

A 3D parameterization of nutrients atmospheric deposition to the global ocean

NASA Astrophysics Data System (ADS)

Myriokefalitakis, S.; Nenes, A.; Baker, A. R.; Mihalopoulos, N.; Kanakidou, M.

2016-12-01

Atmospheric deposition of trace constituents, both of natural and anthropogenic origin, can act as a nutrient source into the open ocean and affect marine ecosystem functioning and subsequently the exchange of CO2 between the atmosphere and the global ocean. Dust is known as a major source of nutrients (such as iron and phosphorus) to the global ocean, but only a fraction of these nutrients is released in soluble form that can be assimilated by the ecosystems. The global atmospheric iron (Fe) and phosphorus (P) cycles are here parameterized in a global 3-D chemical transport model. Both primary emissions of total and soluble Fe and P associated with dust and combustion processes are taken into account. The impact of atmospheric acidity on nutrient solubility is parameterised based on experimental findings and model results are evaluated by comparison with available observations. The effect of air-quality changes on soluble nutrient deposition is studied by performing sensitivity simulations using preindustrial, present and future emission scenarios. The link between the soluble Fe and P atmospheric deposition and anthropogenic sources is also investigated. Overall, the response of the chemical composition of nutrient-containing aerosols to environmental changes is demonstrated and quantified.

Pedotransfer functions in Earth system science: challenges and perspectives

NASA Astrophysics Data System (ADS)

Van Looy, K.; Minasny, B.; Nemes, A.; Verhoef, A.; Weihermueller, L.; Vereecken, H.

2017-12-01

We make a stronghold for a new generation of Pedotransfer functions (PTFs) that is currently developed in the different disciplines of Earth system science, offering strong perspectives for improvement of integrated process-based models, from local to global scale applications. PTFs are simple to complex knowledge rules that relate available soil information to soil properties and variables that are needed to parameterize soil processes. To meet the methodological challenges for a successful application in Earth system modeling, we highlight how PTF development needs to go hand in hand with suitable extrapolation and upscaling techniques such that the PTFs correctly capture the spatial heterogeneity of soils. Most actively pursued recent developments are related to parameterizations of solute transport, heat exchange, soil respiration and organic carbon content, root density and vegetation water uptake. We present an outlook and stepwise approach to the development of a comprehensive set of PTFs that can be applied throughout a wide range of disciplines of Earth system science, with emphasis on land surface models. Novel sensing techniques and soil information availability provide a true breakthrough for this, yet further improvements are necessary in three domains: 1) the determining of unknown relationships and dealing with uncertainty in Earth system modeling; 2) the step of spatially deploying this knowledge with PTF validation at regional to global scales; and 3) the integration and linking of the complex model parameterizations (coupled parameterization). Integration is an achievable goal we will show.

Global climate impacts of stochastic deep convection parameterization in the NCAR CAM5

DOE PAGES

Wang, Yong; Zhang, Guang J.

2016-09-29

In this paper, the stochastic deep convection parameterization of Plant and Craig (PC) is implemented in the Community Atmospheric Model version 5 (CAM5) to incorporate the stochastic processes of convection into the Zhang-McFarlane (ZM) deterministic deep convective scheme. Its impacts on deep convection, shallow convection, large-scale precipitation and associated dynamic and thermodynamic fields are investigated. Results show that with the introduction of the PC stochastic parameterization, deep convection is decreased while shallow convection is enhanced. The decrease in deep convection is mainly caused by the stochastic process and the spatial averaging of input quantities for the PC scheme. More detrainedmore » liquid water associated with more shallow convection leads to significant increase in liquid water and ice water paths, which increases large-scale precipitation in tropical regions. Specific humidity, relative humidity, zonal wind in the tropics, and precipitable water are all improved. The simulation of shortwave cloud forcing (SWCF) is also improved. The PC stochastic parameterization decreases the global mean SWCF from -52.25 W/m 2 in the standard CAM5 to -48.86 W/m 2, close to -47.16 W/m 2 in observations. The improvement in SWCF over the tropics is due to decreased low cloud fraction simulated by the stochastic scheme. Sensitivity tests of tuning parameters are also performed to investigate the sensitivity of simulated climatology to uncertain parameters in the stochastic deep convection scheme.« less

Global climate impacts of stochastic deep convection parameterization in the NCAR CAM5

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

Wang, Yong; Zhang, Guang J.

In this paper, the stochastic deep convection parameterization of Plant and Craig (PC) is implemented in the Community Atmospheric Model version 5 (CAM5) to incorporate the stochastic processes of convection into the Zhang-McFarlane (ZM) deterministic deep convective scheme. Its impacts on deep convection, shallow convection, large-scale precipitation and associated dynamic and thermodynamic fields are investigated. Results show that with the introduction of the PC stochastic parameterization, deep convection is decreased while shallow convection is enhanced. The decrease in deep convection is mainly caused by the stochastic process and the spatial averaging of input quantities for the PC scheme. More detrainedmore » liquid water associated with more shallow convection leads to significant increase in liquid water and ice water paths, which increases large-scale precipitation in tropical regions. Specific humidity, relative humidity, zonal wind in the tropics, and precipitable water are all improved. The simulation of shortwave cloud forcing (SWCF) is also improved. The PC stochastic parameterization decreases the global mean SWCF from -52.25 W/m 2 in the standard CAM5 to -48.86 W/m 2, close to -47.16 W/m 2 in observations. The improvement in SWCF over the tropics is due to decreased low cloud fraction simulated by the stochastic scheme. Sensitivity tests of tuning parameters are also performed to investigate the sensitivity of simulated climatology to uncertain parameters in the stochastic deep convection scheme.« less

Anisotropic Mesoscale Eddy Transport in Ocean General Circulation Models

NASA Astrophysics Data System (ADS)

Reckinger, S. J.; Fox-Kemper, B.; Bachman, S.; Bryan, F.; Dennis, J.; Danabasoglu, G.

2014-12-01

Modern climate models are limited to coarse-resolution representations of large-scale ocean circulation that rely on parameterizations for mesoscale eddies. The effects of eddies are typically introduced by relating subgrid eddy fluxes to the resolved gradients of buoyancy or other tracers, where the proportionality is, in general, governed by an eddy transport tensor. The symmetric part of the tensor, which represents the diffusive effects of mesoscale eddies, is universally treated isotropically in general circulation models. Thus, only a single parameter, namely the eddy diffusivity, is used at each spatial and temporal location to impart the influence of mesoscale eddies on the resolved flow. However, the diffusive processes that the parameterization approximates, such as shear dispersion, potential vorticity barriers, oceanic turbulence, and instabilities, typically have strongly anisotropic characteristics. Generalizing the eddy diffusivity tensor for anisotropy extends the number of parameters to three: a major diffusivity, a minor diffusivity, and the principal axis of alignment. The Community Earth System Model (CESM) with the anisotropic eddy parameterization is used to test various choices for the newly introduced parameters, which are motivated by observations and the eddy transport tensor diagnosed from high resolution simulations. Simply setting the ratio of major to minor diffusivities to a value of five globally, while aligning the major axis along the flow direction, improves biogeochemical tracer ventilation and reduces global temperature and salinity biases. These effects can be improved even further by parameterizing the anisotropic transport mechanisms in the ocean.

Conformational landscapes of membrane proteins delineated by enhanced sampling molecular dynamics simulations.

PubMed

Harpole, Tyler J; Delemotte, Lucie

2018-04-01

The expansion of computational power, better parameterization of force fields, and the development of novel algorithms to enhance the sampling of the free energy landscapes of proteins have allowed molecular dynamics (MD) simulations to become an indispensable tool to understand the function of biomolecules. The temporal and spatial resolution of MD simulations allows for the study of a vast number of processes of interest. Here, we review the computational efforts to uncover the conformational free energy landscapes of a subset of membrane proteins: ion channels, transporters and G-protein coupled receptors. We focus on the various enhanced sampling techniques used to study these questions, how the conclusions come together to build a coherent picture, and the relationship between simulation outcomes and experimental observables. Copyright © 2017 Elsevier B.V. All rights reserved.

High-resolution protein design with backbone freedom.

PubMed

Harbury, P B; Plecs, J J; Tidor, B; Alber, T; Kim, P S

1998-11-20

Recent advances in computational techniques have allowed the design of precise side-chain packing in proteins with predetermined, naturally occurring backbone structures. Because these methods do not model protein main-chain flexibility, they lack the breadth to explore novel backbone conformations. Here the de novo design of a family of alpha-helical bundle proteins with a right-handed superhelical twist is described. In the design, the overall protein fold was specified by hydrophobic-polar residue patterning, whereas the bundle oligomerization state, detailed main-chain conformation, and interior side-chain rotamers were engineered by computational enumerations of packing in alternate backbone structures. Main-chain flexibility was incorporated through an algebraic parameterization of the backbone. The designed peptides form alpha-helical dimers, trimers, and tetramers in accord with the design goals. The crystal structure of the tetramer matches the designed structure in atomic detail.

On an algebraic structure of dimensionally reduced magical supergravity theories

NASA Astrophysics Data System (ADS)

Fukuchi, Shin; Mizoguchi, Shun'ya

2018-06-01

We study an algebraic structure of magical supergravities in three dimensions. We show that if the commutation relations among the generators of the quasi-conformal group in the super-Ehlers decomposition are in a particular form, then one can always find a parameterization of the group element in terms of various 3d bosonic fields that reproduces the 3d reduced Lagrangian of the corresponding magical supergravity. This provides a unified treatment of all the magical supergravity theories in finding explicit relations between the 3d dimensionally reduced Lagrangians and particular coset nonlinear sigma models. We also verify that the commutation relations of E 6 (+ 2), the quasi-conformal group for A = C, indeed satisfy this property, allowing the algebraic interpretation of the structure constants and scalar field functions as was done in the F 4 (+ 4) magical supergravity.

Are Educational Governance Reforms in a Post-Conflict Society Conforming to Global Standards? Examining the Application of Education Convergence Theory in an Internationally Supervised and Politicized Context

ERIC Educational Resources Information Center

Komatsu, Taro

2016-01-01

This article examines whether and to what extent educational reforms in a post-conflict society conform to "global (regional) standards," and explores the meaning of inconsistencies observed in the process of global reform transfer. Among the nations of the world, nowhere is the influence of external forces on educational reforms more…

Anisotropic dissipation of the global internal tide from a higher-order multiscale barotropic tidal simulation

NASA Astrophysics Data System (ADS)

Salehipour, Hesam; Peltier, W. Richard

2013-04-01

Increasing recognition of the importance of the diapycnal mixing induced by the dissipation of internal tides excited by the interaction of the barotropic tide with bottom topography has begun to attract increasing attention. The partition of the dissipation of the barotropic tide between that related to the internal tide and that related to bottom friction is also of considerable interest as this partition has been shown to shift significantly between the modern and Last Glacial Maximum tidal regimes [Griffiths and Peltier, 2008, 2009] . Ocean general circulation models, though clearly unable to explicitly resolve small scale mixing processes, currently rely on the introduction of an appropriate parameterization of the contribution to such mixing due to dissipation of the internal tidal. One widely-used parameterization of this kind (which is currently employed in POP2) is that proposed by Jayne and St. Laurent [GRL 2001] and is based on topographic roughness. This contrasts with the parameterization of Carrere and Lyard [GRL 2003] and Lyard [Ocean Dynamics, 2006] which also considers the flow direction with respect to the topographic features. Both of these parameterizations require the tuning of parameters to arrive at sensible tidal amplitudes. We have developed an original higher order barotropic tidal model based on the discontinuous Galerkin finite element method applied on global triangular grids [Salehipour et al., submitted to Ocean Modelling] in which we parameterize the energy conversion to baroclinic tides by introducing an anisotropic internal tide drag [Griffiths and Peltier GRL 2008, Griffiths and Peltier J Climate 2009] which also considers the time dependent angle of attack of the barotropic tidal flow on abyssal topographic features but requires no tuning parameters. The model is massively parallelized which enables very high resolution modeling of global barotropic tides as well as the implementation of local grid refinement. In this paper we will present maps of energy dissipation for different tidal constituents using grids with resolutions up to 1/18° in coastal regions as well as in areas with high gradients in the bottom topography. The discontinuous Galerkin formulation provides important energy conservation properties as well as enabling the accurate representation of sharp topographic gradients without smoothing, a feature well matched to the multi-scale problem of the dissipation of the internal tide. We will describe the detailed energy budgets delivered by this model under both modern and Last Glacial Maximum oceanographic conditions, including relative sea level and internal density stratification effects. The results of the simulations will be illustrated with global maps with enhanced resolution for the internal tidal dissipation which may be exploited in the parameterization of vertical mixing. We will use the reconstructed paleotopography of the ICE-5G model of Peltier [Annu. Rev. Earth Planet Sci. 2004] as well as the more recent refinement (ICE-6G) to compute the characteristics of the LGM tidal regime and will compare these characteristics to those of the modern ocean.

Estimation of the electromagnetic bias from retracked TOPEX data

NASA Technical Reports Server (NTRS)

Rodriguez, Ernesto; Martin, Jan M.

1994-01-01

We examine the electromagnetic (EM) bias by using retracked TOPEX altimeter data. In contrast to previous studies, we use a parameterization of the EM bias which does not make stringent assumptions about the form of the correction or its global behavior. We find that the most effective single parameter correction uses the altimeter-estimated wind speed but that other parameterizations, using a wave age related parameter of significant wave height, may also significantly reduce the repeat pass variance. The different corrections are compared, and their improvement of the TOPEX height variance is quantified.

Low Cloud Feedback to Surface Warming in the World's First Global Climate Model with Explicit Embedded Boundary Layer Turbulence

NASA Astrophysics Data System (ADS)

Parishani, H.; Pritchard, M. S.; Bretherton, C. S.; Wyant, M. C.; Khairoutdinov, M.; Singh, B.

2017-12-01

Biases and parameterization formulation uncertainties in the representation of boundary layer clouds remain a leading source of possible systematic error in climate projections. Here we show the first results of cloud feedback to +4K SST warming in a new experimental climate model, the ``Ultra-Parameterized (UP)'' Community Atmosphere Model, UPCAM. We have developed UPCAM as an unusually high-resolution implementation of cloud superparameterization (SP) in which a global set of cloud resolving arrays is embedded in a host global climate model. In UP, the cloud-resolving scale includes sufficient internal resolution to explicitly generate the turbulent eddies that form marine stratocumulus and trade cumulus clouds. This is computationally costly but complements other available approaches for studying low clouds and their climate interaction, by avoiding parameterization of the relevant scales. In a recent publication we have shown that UP, while not without its own complexity trade-offs, can produce encouraging improvements in low cloud climatology in multi-month simulations of the present climate and is a promising target for exascale computing (Parishani et al. 2017). Here we show results of its low cloud feedback to warming in multi-year simulations for the first time. References: Parishani, H., M. S. Pritchard, C. S. Bretherton, M. C. Wyant, and M. Khairoutdinov (2017), Toward low-cloud-permitting cloud superparameterization with explicit boundary layer turbulence, J. Adv. Model. Earth Syst., 9, doi:10.1002/2017MS000968.

Dynamical Downscaling of Global Circulation Models With the Weather Research and Forecast Model in the Northern Great Plains

NASA Astrophysics Data System (ADS)

Burtch, D.; Mullendore, G. L.; Kennedy, A. D.; Simms, M.; Kirilenko, A.; Coburn, J.

2015-12-01

Understanding the impacts of global climate change on regional scales is crucial for accurate decision-making by state and local governments. This is especially true in North Dakota, where climate change can have significant consequences on agriculture, its traditionally strongest economic sector. This region of the country shows a high variability in precipitation, especially in the summer months and so the focus of this study is on warm season processes over decadal time scales. The Weather Research and Forecast (WRF) model is used to dynamically downscale two Global Circulation Models (GCMs) from the CMIP5 ensemble in order to determine the microphysical parameterization and nudging techniques (spectral or analysis) best suited for this region. The downscaled domain includes the entirety of North Dakota at a horizontal resolution of 5 km. In addition, smaller domains of 1 km horizontal resolution are centered over regions of focused hydrological importance. The dynamically downscaled simulations are compared with both gridded observational data and statistically downscaled data to evaluate the performance of the simulations. Preliminary results have shown a marked difference between the two downscaled GCMs in terms of temperature and precipitation bias. Choice of microphysical parameterization has not shown to create any significant differences in the temperature fields. However, the precipitation fields do appear to be most affected by the microphysical parameterization, regardless of the choice of GCM. Implications on the unique water resource challenges faced in this region will also be discussed.

A revised radiation package of G-packed McICA and two-stream approximation: Performance evaluation in a global weather forecasting model

NASA Astrophysics Data System (ADS)

Baek, Sunghye

2017-07-01

For more efficient and accurate computation of radiative flux, improvements have been achieved in two aspects, integration of the radiative transfer equation over space and angle. First, the treatment of the Monte Carlo-independent column approximation (MCICA) is modified focusing on efficiency using a reduced number of random samples ("G-packed") within a reconstructed and unified radiation package. The original McICA takes 20% of CPU time of radiation in the Global/Regional Integrated Model systems (GRIMs). The CPU time consumption of McICA is reduced by 70% without compromising accuracy. Second, parameterizations of shortwave two-stream approximations are revised to reduce errors with respect to the 16-stream discrete ordinate method. Delta-scaled two-stream approximation (TSA) is almost unanimously used in Global Circulation Model (GCM) but contains systematic errors which overestimate forward peak scattering as solar elevation decreases. These errors are alleviated by adjusting the parameterizations of each scattering element—aerosol, liquid, ice and snow cloud particles. Parameterizations are determined with 20,129 atmospheric columns of the GRIMs data and tested with 13,422 independent data columns. The result shows that the root-mean-square error (RMSE) over the all atmospheric layers is decreased by 39% on average without significant increase in computational time. Revised TSA developed and validated with a separate one-dimensional model is mounted on GRIMs for mid-term numerical weather forecasting. Monthly averaged global forecast skill scores are unchanged with revised TSA but the temperature at lower levels of the atmosphere (pressure ≥ 700 hPa) is slightly increased (< 0.5 K) with corrected atmospheric absorption.

Ensemble superparameterization versus stochastic parameterization: A comparison of model uncertainty representation in tropical weather prediction

NASA Astrophysics Data System (ADS)

Subramanian, Aneesh C.; Palmer, Tim N.

2017-06-01

Stochastic schemes to represent model uncertainty in the European Centre for Medium-Range Weather Forecasts (ECMWF) ensemble prediction system has helped improve its probabilistic forecast skill over the past decade by both improving its reliability and reducing the ensemble mean error. The largest uncertainties in the model arise from the model physics parameterizations. In the tropics, the parameterization of moist convection presents a major challenge for the accurate prediction of weather and climate. Superparameterization is a promising alternative strategy for including the effects of moist convection through explicit turbulent fluxes calculated from a cloud-resolving model (CRM) embedded within a global climate model (GCM). In this paper, we compare the impact of initial random perturbations in embedded CRMs, within the ECMWF ensemble prediction system, with stochastically perturbed physical tendency (SPPT) scheme as a way to represent model uncertainty in medium-range tropical weather forecasts. We especially focus on forecasts of tropical convection and dynamics during MJO events in October-November 2011. These are well-studied events for MJO dynamics as they were also heavily observed during the DYNAMO field campaign. We show that a multiscale ensemble modeling approach helps improve forecasts of certain aspects of tropical convection during the MJO events, while it also tends to deteriorate certain large-scale dynamic fields with respect to stochastically perturbed physical tendencies approach that is used operationally at ECMWF.