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At least 1,081 records · Page 60

Transport of contaminants in the planetary boundary layer

A planetary boundary layer model is described and used to simulate PBL phenomena including cloud formation and pollution transport in the San Francisco Bay Area. The effect of events in the PBL on air pollution is considered, and governing equations for the average momentum, potential temperature, water vapor mixing ratio, and air contaminants are presented. These equations are derived by integrating the basic equations vertically through the mixed layer. Characteristics of the day selected for simulation are reported, and the results suggest that the diurnally cyclic features of the mesoscale motion, including clouds and air pollution, can be simulated in a readily interpretable way with the model.

Lee, I. Y.↗

Meso-beta scale numerical simulation studies of terrain-induced jet streak mass/momentum perturbations

Work performed during the report period is summarized. The first numerical experiment which was performed on the North Carolina Supercomputer Center's CRAY-YMP machine during the second half of FY92 involved a 36 hour simulation of the CCOPE case study. This first coarse-mesh simulation employed the GMASS model with a 178 x 108 x 32 matrix of grid points spaced approximately 24 km apart. The initial data was comprised of the global 2.5 x 2.5 degree analyses as well as all available North American rawinsonde data valid at 0000 UTC 11 July 1981. Highly-smoothed LFM-derived terrain data were utilized so as to determine the mesoscale response of the three-dimensional atmosphere to weak terrain forcing prior to including the observed highly complex terrain of the northern Rocky Mountain region. It was felt that the model should be run with a spectrum of terrain geometries, ranging from observed complex terrain to no terrain at all, to determine how crucial the terrain was in forcing the mesoscale phenomena. Both convection and stratiform (stable) precipitation were not allowed in this simulation so that their relative importance could be determined by inclusion in forth-coming simulations. A full suite of planetary boundary layer forcing was allowed in the simulation, including surface sensible and latent heat fluxes employing the Blakadar PBL formulation. The details of this simulation, which in many ways could be considered the control simulation, including the important synoptic-scale, meso-alpha scale, and meso-beta scale circulations is described. These results are compared to the observations diagnosed by Koch and his colleagues as well as hypotheses set forth in the project proposal for terrain-influences upon the jet stream and their role in the generation of mesoscale wave phenomenon. The fundamental goal of the analyses being the discrimination among background geostrophic adjustment, terrain influences, and shearing instability in the initiation and maintainance of mesoscale internal wave phenomena. Based upon these findings, FY93 plans are discussed. A review of linear theory and theoretical modeling of a geostrophic zonal wind anomaly is included.

Lin, Yuh-Lang↗

Sea breeze: Induced mesoscale systems and severe weather

Sea-breeze-deep convective interactions over the Florida peninsula were investigated using a cloud/mesoscale numerical model. The objective was to gain a better understanding of sea-breeze and deep convective interactions over the Florida peninsula using a high resolution convectively explicit model and to use these results to evaluate convective parameterization schemes. A 3-D numerical investigation of Florida convection was completed. The Kuo and Fritsch-Chappell parameterization schemes are summarized and evaluated.

Nicholls, M. E.↗

Preliminary Results of a U.S. Deep South Warm Season Deep Convective Initiation Modeling Experiment using NASA SPoRT Initialization Datasets for Operational National Weather Service Local Model Runs

The initiation of deep convection during the warm season is a forecast challenge in the relative high instability and low wind shear environment of the U.S. Deep South. Despite improved knowledge of the character of well known mesoscale features such as local sea-, bay- and land-breezes, observations show the evolution of these features fall well short in fully describing the location of first initiates. A joint collaborative modeling effort among the NWS offices in Mobile, AL, and Houston, TX, and NASA s Short-term Prediction Research and Transition (SPoRT) Center was undertaken during the 2012 warm season to examine the impact of certain NASA produced products on the Weather Research and Forecasting Environmental Modeling System. The NASA products were: a 4-km Land Information System data, a 1-km sea surface temperature analysis, and a 4-km greenness vegetation fraction analysis. Similar domains were established over the southeast Texas and Alabama coastlines, each with a 9 km outer grid spacing and a 3 km inner nest spacing. The model was run at each NWS office once per day out to 24 hours from 0600 UTC, using the NCEP Global Forecast System for initial and boundary conditions. Control runs without the NASA products were made at the NASA SPoRT Center. The NCAR Model Evaluation Tools verification package was used to evaluate both the forecast timing and location of the first initiates, with a focus on the impacts of the NASA products on the model forecasts. Select case studies will be presented to highlight the influence of the products.

Medlin, Jeffrey M.↗

Ab initio generalized Langevin equation

We introduce a machine learning–based approach called ab initio generalized Langevin equation (AIGLE) to model the dynamics of slow collective variables (CVs) in materials and molecules. In this scheme, the parameters are learned from atomistic simulations based on ab initio quantum mechanical models. Force field, memory kernel, and noise generator are constructed in the context of the Mori–Zwanzig formalism, under the constraint of the fluctuation–dissipation theorem. Combined with deep potential molecular dynamics and electronic density functional theory, this approach opens the way to multiscale modeling in a variety of situations. Here, we demonstrate this capability with a study of two mesoscale processes in crystalline lead titanate, namely the field-driven dynamics of a planar ferroelectric domain wall, and the dynamics of an extensive lattice of coarse-grained electric dipoles. In the first case, AIGLE extends the reach of ab initio simulations to a regime of noise-driven motions not accessible to molecular dynamics. In the second case, AIGLE deals with an extensive set of CVs by adopting a local approximation for the memory kernel and retaining only short-range noise correlations. The scheme is computationally more efficient than molecular dynamics by several orders of magnitude and mimics the microscopic dynamics at low frequencies where it reproduces accurately the dominant far-infrared absorption frequency.

97 MATHEMATICS AND COMPUTING↗

Integral boundary conditions in phase field models

Modeling the chemical, electric and thermal transport as well as phase transitions and the accompanying mesoscale microstructure evolution within a material in an electronic device setting involves the solution of partial differential equations often with integral boundary conditions. Employing the familiar Poisson equation describing the electric potential evolution in a material exhibiting insulator to metal transitions, we exploit a special property of such an integral boundary condition, and we properly formulate the variational problem and establish its well-posedness. Next, we compare our method with the commonly-used Lagrange multiplier method that can also handle such boundary conditions. Numerical experiments demonstrate that our new method achieves optimal convergence rate in contrast to the conventional Lagrange multiplier method. Furthermore, the linear system derived from our method is symmetric positive definite, and can be efficiently solved by Conjugate Gradient method with algebraic multigrid preconditioning.

97 MATHEMATICS AND COMPUTING↗

Relevance of hydrogen bonded associates to the transport properties and nanoscale dynamics of liquid and supercooled 2-propanol

2-Propanol was investigated, in both the liquid and supercooled states, as a model system to study how hydrogen bonds affect the structural relaxation and the dynamics of mesoscale structures, of approximately several Ångstroms, employing static and quasi-elastic neutron scattering and molecular dynamics simulation. Dynamic neutron scattering measurements were performed over an exchanged wave-vector range encompassing the pre-peak, indicative of the presence of H-bonding associates, and the main peak. The dynamics observed at the pre-peak is associated with the formation and disaggregation of the H-bonded associates and is measured to be at least one order of magnitude slower than the dynamics at the main peak, which is identified as the structural relaxation. Additionally, the measurements indicate that the macroscopic shear viscosity has a similar temperature dependence as the dynamics of the H-bonded associates, which highlights the important role played by these structures, together with the structural relaxation, in defining the macroscopic rheological properties of the system. Importantly, the characteristic relaxation time at the pre-peak follows an Arrhenius temperature dependence whereas at the main peak it exhibits a non-Arrhenius behavior on approaching the supercooled state. The origin of this differing behavior is attributed to an increased structuring of the hydrophobic domains of 2-propanol accommodating a more and more encompassing H-bond network, and a consequent set in of dynamic cooperativity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-resolution Interferometer Sounder (HIS), phase 2

The High-resolution Interferometer Sounder (HIS) was successfully built, tested, and flight proven on the NASA U-2/ER-2 high altitude aircraft. The HIS demonstration has shown that, by using the technology of Fourier Transform Spectroscopy (FTS), it is possible to measure the spectrum of upwelling infrared radiance needed for temperature and humidity sounding with high spectral resolution and high radiometric precision. By resolving individual carbon dioxide lines, the retrieved temperature profiles have vertical resolutions of 1 to 2 km and RMS errors less than 1 C, about 2 to 4 times better than possible with current sounders. Implementing this capability on satellite sounders will greatly enhance the dynamical information content of temperature measurements from space. The aircraft model HIS is now a resource which should be used to support field experiments in mesoscale meteorology, to monitor trace gas concentrations and to better understand their effects on climate, to monitor the surface radiation budget and the radiative effects of clouds, and to collect data for research into retrieval techniques, especially under partially cloudy conditions.

Source record↗

Bio-optical and physical variability in the subarctic North Atlantic Ocean during the spring of 1989

A unique set of physical, bio-optical, and meteorological observations were made from a mooring located in the open ocean south of Iceland (59 deg 29.5 min N, 20 deg 49.8 min W) from April 13 to June 12 1989. The present measurements are apparently the first to resolve the rapid transition to springtime physical and biological conditions at such a high latitude site. Our data were collected with bio-optical and physical moored systems every few minutes. The abrupt onset of springtime stratification was observed with the mixed layer shoaling from approximately 550 m to approximately 50 m in approximately 5 days. During this period a major phytoplankton bloom occurred with a tenfold increase in near-surface chlorophyll concentration in less than 3 weeks. Our statistical analysis indicates that the velocity shear in the upper layer is driven primarily by local wind stress. Mesoscale variability is also apparent from these and concurrent airborne oceangraphic lidar observations. Our complementary modeling results suggest that the near-surface layer may be reasonably well described by a one-dimensional model and that the spring bloom was initiated during incipient near-surface restratification.

Dickey, T.↗

Online Visualization and Analysis of Merged Global Geostationary Satellite Infrared Dataset

The NASA Goddard Earth Sciences Data Information Services Center (GES DISC) is home of Tropical Rainfall Measuring Mission (TRMM) data archive. The global merged IR product also known as the NCEP/CPC 4-km Global (60 degrees N - 60 degrees S) IR Dataset, is one of TRMM ancillary datasets. They are globally merged (60 degrees N - 60 degrees S) pixel-resolution (4 km) IR brightness temperature data (equivalent blackbody temperatures), merged from all available geostationary satellites (GOES-8/10, METEOSAT-7/5 and GMS). The availability of data from METEOSAT-5, which is located at 63E at the present time, yields a unique opportunity for total global (60 degrees N- 60 degrees S) coverage. The GES DISC has collected over 8 years of the data beginning from February of 2000. This high temporal resolution dataset can not only provide additional background information to TRMM and other satellite missions, but also allow observing a wide range of meteorological phenomena from space, such as, mesoscale convection systems, tropical cyclones, hurricanes, etc. The dataset can also be used to verify model simulations. Despite that the data can be downloaded via ftp, however, its large volume poses a challenge for many users. A single file occupies about 70 MB disk space and there is a total of approximately 73,000 files (approximately 4.5 TB) for the past 8 years. In order to facilitate data access, we have developed a web prototype to allow users to conduct online visualization and analysis of this dataset. With a web browser and few mouse clicks, users can have a full access to over 8 year and over 4.5 TB data and generate black and white IR imagery and animation without downloading any software and data. In short, you can make your own images! Basic functions include selection of area of interest, single imagery or animation, a time skip capability for different temporal resolution and image size. Users can save an animation as a file (animated gif) and import it in other presentation software, such as, Microsoft PowerPoint. The prototype will be integrated into GIOVANNI and existing GIOVANNI capabilities, such as, data download, Google Earth KMZ, etc will be available. Users will also be able to access other data products in the GIOVANNI family.

Liu, Zhong↗

Multi-scale fission product release model with comparison to AGR data

TRistructural ISOtropic (TRISO) particle fuel is central to several advanced, high-temperature reactor designs. Each particle consists of a fuel kernel encapsulated by three layers of carbon and ceramics that prevent the release of fission products and ensure physical integrity. Despite outstanding retention properties, fission product release has been observed from intact particles. To better understand and quantify fission product release from TRISO particles, a multiscale, mechanistic model of fission product transport is being developed by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. Previous work focused on silver (Ag) transport and improved Ag release predictions. The work described in this report builds on this experience to better understand cesium (Cs) transport in silicon carbide (SiC), the main barrier to the release of fission products. Atomistic simulations provide bulk and grain boundary (GB) Cs diffusivities in SiC, which are used by phase field simulations in the mesoscale code Marmot to determine the temperature, microstructure, and irradiation-dependent Cs diffusivity at the mesoscale in SiC. This approach attributes the different temperature regimes experimentally observed for Cs diffusivities in SiC to a transition from bulk-dominated diffusivity at high temperatures to a GB-dominated regime at low temperatures, providing new insight. The multiscale, mechanistic effective diffusivity is then implemented in the fuel performance code BISON and further validated by comparing Cs release predictions from Advanced Gas Reactor (AGR)-1 and AGR-2 post-irradiation measurements. The new model improves BISON’s predictability. This document also reports improvements made on Ag transport modeling by accounting for different GB types having different diffusivities. Moreover, this report details preliminary efforts to model palladium (Pd) attack of the SiC at the mesoscale using a phase field approach. Pd attack and its impact on accelerated Ag transport remains a misunderstood phenomenon, and we use the model to demonstrate that the formation of lamellae that has been observed in experiments can be explained by the reaction of Pd with SiC to form alternating layers of graphite and Pd 2 Si. This effort aims to improve our understanding of the reaction and eventually provide a model for BISON to account for Pd penetration and its effects on fission product release.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Natural Ocean Carbon Cycle Sensitivity to Parameterizations of the Recycling in a Climate Model

Sensitivities of the oceanic biological pump within the GISS (Goddard Institute for Space Studies ) climate modeling system are explored here. Results are presented from twin control simulations of the air-sea CO2 gas exchange using two different ocean models coupled to the same atmosphere. The two ocean models (Russell ocean model and Hybrid Coordinate Ocean Model, HYCOM) use different vertical coordinate systems, and therefore different representations of column physics. Both variants of the GISS climate model are coupled to the same ocean biogeochemistry module (the NASA Ocean Biogeochemistry Model, NOBM), which computes prognostic distributions for biotic and abiotic fields that influence the air-sea flux of CO2 and the deep ocean carbon transport and storage. In particular, the model differences due to remineralization rate changes are compared to differences attributed to physical processes modeled differently in the two ocean models such as ventilation, mixing, eddy stirring and vertical advection. GISSEH(GISSER) is found to underestimate mixed layer depth compared to observations by about 55% (10 %) in the Southern Ocean and overestimate it by about 17% (underestimate by 2%) in the northern high latitudes. Everywhere else in the global ocean, the two models underestimate the surface mixing by about 12-34 %, which prevents deep nutrients from reaching the surface and promoting primary production there. Consequently, carbon export is reduced because of reduced production at the surface. Furthermore, carbon export is particularly sensitive to remineralization rate changes in the frontal regions of the subtropical gyres and at the Equator and this sensitivity in the model is much higher than the sensitivity to physical processes such as vertical mixing, vertical advection and mesoscale eddy transport. At depth, GISSER, which has a significant warm bias, remineralizes nutrients and carbon faster thereby producing more nutrients and carbon at depth, which eventually resurfaces with the global thermohaline circulation especially in the Southern Ocean. Because of the reduced primary production and carbon export in GISSEH compared to GISSER, the biological pump efficiency, i.e., the ratio of primary production and carbon export at 75 m, is half in the GISSEH of that in GISSER, The Southern Ocean emerges as a key region where the CO2 flux is as sensitive to biological parameterizations as it is to physical parameterizations. The fidelity of ocean mixing in the Southern Ocean compared to observations is shown to be a good indicator of the magnitude of the biological pump efficiency regardless of physical model choice.

Antarctic Ocean↗

Soft matter roadmap

Soft materials are usually defined as materials made of mesoscopic entities, often self-organised, sensitive to thermal fluctuations and to weak perturbations. Archetypal examples are colloids, polymers, amphiphiles, liquid crystals, foams. The importance of soft materials in everyday commodity products, as well as in technological applications, is enormous, and controlling or improving their properties is the focus of many efforts. From a fundamental perspective, the possibility of manipulating soft material properties, by tuning interactions between constituents and by applying external perturbations, gives rise to an almost unlimited variety in physical properties. Together with the relative ease to observe and characterise them, this renders soft matter systems powerful model systems to investigate statistical physics phenomena, many of them relevant as well to hard condensed matter systems. Understanding the emerging properties from mesoscale constituents still poses enormous challenges, which have stimulated a wealth of new experimental approaches, including the synthesis of new systems with, e.g. tailored self-assembling properties, or novel experimental techniques in imaging, scattering or rheology. Theoretical and numerical methods, and coarse-grained models, have become central to predict physical properties of soft materials, while computational approaches that also use machine learning tools are playing a progressively major role in many investigations. This Roadmap intends to give a broad overview of recent and possible future activities in the field of soft materials, with experts covering various developments and challenges in material synthesis and characterisation, instrumental, simulation and theoretical methods as well as general concepts.

36 MATERIALS SCIENCE↗

The nano- and meso-scale structure of amorphous calcium carbonate

Abstract Understanding the underlying processes of biomineralization is crucial to a range of disciplines allowing us to quantify the effects of climate change on marine organisms, decipher the details of paleoclimate records and advance the development of biomimetic materials. Many biological minerals form via intermediate amorphous phases, which are hard to characterize due to their transient nature and a lack of long-range order. Here, using Monte Carlo simulations constrained by X-ray and neutron scattering data together with model building, we demonstrate a method for determining the structure of these intermediates with a study of amorphous calcium carbonate (ACC) which is a precursor in the bio-formation of crystalline calcium carbonates. We find that ACC consists of highly ordered anhydrous nano-domains of approx. 2 nm that can be described as nanocrystalline. These nano-domains are held together by an interstitial net-like matrix of water molecules which generate, on the mesoscale, a heterogeneous and gel-like structure of ACC. We probed the structural stability and dynamics of our model on the nanosecond timescale by molecular dynamics simulations. These simulations revealed a gel-like and glassy nature of ACC due to the water molecules and carbonate ions in the interstitial matrix featuring pronounced orientational and translational flexibility. This allows for viscous mobility with diffusion constants four to five orders of magnitude lower than those observed in solutions. Small and ultra-small angle neutron scattering indicates a hierarchically-ordered organization of ACC across length scales that allow us, based on our nano-domain model, to build a comprehensive picture of ACC formation by cluster assembly from solution. This contribution provides a new atomic-scale understanding of ACC and provides a framework for the general exploration of biomineralization and biomimetic processes.

59 BASIC BIOLOGICAL SCIENCES↗

The impact of mesoscale data on the simulation of a mesoscale convective weather system

The objectives are: (1) to demonstrate the sensitivity of a numerical simulation of a mesoscale convective weather system to the initial conditions; and (2) to provide further evidence of the need for a high resolution observing system that is compatible with numerical-model initial data requirements. To this end, a series of nine numerical-model sensitivity experiments were conducted in which one or more variables from one or more observations (soundings) were omitted and/or adjusted in the model initialization. Two types of surroundings were available for manipulation in the sensitivity experiments. Specifically, for the particular event being simulated (the 1977 Johnstown flash flood), an independent mesoanalysis was available from Bosart and Sanders (1981). In his analysis, Bosart produced a fine-resolution three-dimensional array of data from which soundings that helped to define mesoscale features could be extracted. These 'nonconventional' soundings were added to the conventional sounding data routinely available for model initialization.

Fritsch, J. M.↗

Aerosol Impacts on Mesoscale Convective Systems Forming Under Different Vertical Wind Shear Conditions

Following our previous study of wind shear effect on mesoscale convective system (MCS) organization under a clean atmospheric condition using the Weather Research and Forecasting model coupled with Spectral-Bin Microphysics, we conduct sensitivity simulations by increasing cloud condensation nuclei (CCN) concentration and investigate aerosol impacts on MCSs forming under different wind shear conditions. We find that, aerosols induce stronger updrafts and downdrafts in all MCSs. The stronger updrafts and enlarged convective core area contribute to larger vertical mass fluxes and enhance precipitation, indicating convective invigoration. Increased updraft speed below 8-km altitude mainly results from enhanced condensational heating, and increased water loading effect is not large enough to overcome the increase in thermal buoyancy. Interestingly, above 8-km altitude we see reduced updraft speed by the increased aerosols due to reduced vertical pressure perturbation gradient force, and weakened depositional growth due to competition of water vapor by enhanced condensation. The accumulated rainfall and mean rain rate are increased, with an increased occurrence frequency of heavy rain. The increase of rain rate is seen in both convective and stratiform regions, with a more significant increase in convective rain rate. In general, we see a higher frequency of deep convective cloud in the polluted condition because of invigorated convection, and more stratiform/anvil clouds, but a lower frequency of shallow warm clouds. The unanimously invigorated MCSs by aerosols under various wind shear conditions revealed by this study has an important implication in weather and climate at warm and humid regions that are influenced by pollution.

54 ENVIRONMENTAL SCIENCES↗

Improving the representation of shallow cumulus convection with the simplified-higher-order-closure–mass-flux (SHOC+MF v1.0) approach

Abstract. Parameterized boundary layer turbulence and moist convection remain some of the largest sources of uncertainty in general circulation models. High-resolution climate modeling aims to reduce that uncertainty by explicitly attempting to resolve deep moist convective motions. An example of such a model is the Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM) with a target global resolution of 3.25 km, allowing for a more accurate representation of complex mesoscale deep convective dynamics. Yet, small-scale planetary boundary layer turbulence and shallow convection still need to be parameterized, which in SCREAM is accomplished through the turbulent-kinetic-energy-based (TKE-based) simplified higher-order closure (SHOC) – a simplified version of the assumed-double-Gaussian-PDF (probability density function) higher-order-closure method. In this paper, we implement a stochastic-multiplume mass-flux (MF) parameterization of dry and shallow convection in SCREAM to go beyond the limitations of double-Gaussian-PDF closures and couple it to SHOC (SHOC+MF). The new parameterization implemented in a single-column model type version of SCREAM produces results for two shallow cumulus convection cases (marine and continental shallow convection) that agree well with the reference data from large-eddy simulations, thus improving the general representation of the thermodynamic quantities and their turbulent fluxes as well as cloud macrophysics in the model. Furthermore, SHOC+MF parameterization shows weak sensitivity to the vertical grid resolution and model time step.

54 ENVIRONMENTAL SCIENCES↗

Mesoscale Convective Systems Dominate the Energetics of the South Asian Summer Monsoon Onset

The onset of the South Asian summer monsoon (SASM) is featured as an abrupt increase of precipitation and atmospheric column-integrated moist static energy (MSE). Using convection permitting simulations, a novel cloud tracking technique, and an MSE budget, the relative roles of mesoscale convective systems (MCSs) and non-MCS isolated deep convection in the SASM onset are studied. The analysis shows MCSs play a crucial role in the sudden increases of rainfall, diabatic MSE sources, and the subsequent enhanced export of column-integrated MSE during the onset. A “diabatic sources-energy export” plane analysis delineates the different roles of MCSs and non-MCS deep convection in the SASM onset. Although deep convection always leads to a net energy export, mesoscale organization of deep convection dominates the convection associated positive feedbacks that accelerate the energy cycle of the SASM onset. Sensitivity experiment shows that the results are insensitive to the model resolutions.

Chen, Xingchao↗