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29 records · Page 2

Interplay of Open-Shell Spin-Coupling and Jahn–Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy

Here we report a theoretical investigation and elucidation of the X-ray absorption spectra of neutral benzene and of the benzene cation. The generation of the cation by multiphoton ultraviolet (UV) ionization and the measurement of the carbon K-edge spectra of both species using a table-top high-harmonic generation source are described in the companion experimental paper. We show that the 1sC → π transition serves as a sensitive signature of the transient cation formation, as it occurs outside of the spectral window of the parent neutral species. Moreover, the presence of the unpaired (spectator) electron in the π-subshell of the cation and the high symmetry of the system result in significant differences relative to neutral benzene in the spectral features associated with the 1sC → π* transitions. High-level calculations using equation-of-motion coupled-cluster theory provide the interpretation of the experimental spectra and insight into the electronic structure of benzene and its cation. The prominent split structure of the 1sC → π* band of the cation is attributed to the interplay between the coupling of the core → π* excitation with the unpaired electron in the π-subshell and the Jahn–Teller distortion. The calculations attribute most of the splitting (~1–1.2 eV) to the spin coupling, which is visible already at the Franck–Condon structure, and we estimate the additional splitting due to structural relaxation to be around ~0.1–0.2 eV. These results suggest that X-ray absorption with increased resolution might be able to disentangle electronic and structural aspects of the Jahn–Teller effect in the benzene cation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Inter-Comparison of GOES-8 Imager and Sounder Skin Temperature Retrievals

Skin temperature (ST) retrievals derived from geostationary satellite observations have both high temporal and spatial resolutions and are therefore useful for applications such as assimilation into mesoscale forecast models, nowcasting, and diagnostic studies. Our retrieval method uses a Physical Split Window technique requiring at least two channels within the longwave infrared window. On current GOES satellites, including GOES-11, there are two Imager channels within the required spectral interval. However, beginning with the GOES-M satellite the 12-um channel will be removed, leaving only one longwave channel. The Sounder instrument will continue to have three channels within the longwave window, and therefore ST retrievals will be derived from Sounder measurements. This research compares retrievals from the two instruments and evaluates the effects of the spatial resolution and sensor calibration differences on the retrievals. Both Imager and Sounder retrievals are compared to ground-truth data to evaluate the overall accuracy of the technique. An analysis of GOES-8 and GOES-11 intercomparisons is also presented.

Haines, Stephanie L.↗

Evaluation of Satellite-Based Upper Troposphere Cloud Top Height Retrievals in Multilayer Cloud Conditions During TC4

Upper troposphere cloud top heights (CTHs), restricted to cloud top pressures (CTPs) less than 500 hPa, inferred using four satellite retrieval methods applied to Twelfth Geostationary Operational Environmental Satellite (GOES-12) data are evaluated using measurements during the July August 2007 Tropical Composition, Cloud and Climate Coupling Experiment (TC4). The four methods are the single-layer CO2-absorption technique (SCO2AT), a modified CO2-absorption technique (MCO2AT) developed for improving both single-layered and multilayered cloud retrievals, a standard version of the Visible Infrared Solar-infrared Split-window Technique (old VISST), and a new version of VISST (new VISST) recently developed to improve cloud property retrievals. They are evaluated by comparing with ER-2 aircraft-based Cloud Physics Lidar (CPL) data taken during 9 days having extensive upper troposphere cirrus, anvil, and convective clouds. Compared to the 89% coverage by upper tropospheric clouds detected by the CPL, the SCO2AT, MCO2AT, old VISST, and new VISST retrieved CTPs less than 500 hPa in 76, 76, 69, and 74% of the matched pixels, respectively. Most of the differences are due to subvisible and optically thin cirrus clouds occurring near the tropopause that were detected only by the CPL. The mean upper tropospheric CTHs for the 9 days are 14.2 (+/- 2.1) km from the CPL and 10.7 (+/- 2.1), 12.1 (+/- 1.6), 9.7 (+/- 2.9), and 11.4 (+/- 2.8) km from the SCO2AT, MCO2AT, old VISST, and new VISST, respectively. Compared to the CPL, the MCO2AT CTHs had the smallest mean biases for semitransparent high clouds in both single-layered and multilayered situations whereas the new VISST CTHs had the smallest mean biases when upper clouds were opaque and optically thick. The biases for all techniques increased with increasing numbers of cloud layers. The transparency of the upper layer clouds tends to increase with the numbers of cloud layers.

Chang, Fu-Lung↗

Comparison of CALIPSO-Like, LaRC, and MODIS Retrievals of Ice Cloud Properties over SIRTA in France and Florida during CRYSTAL-FACE

This study compares cirrus particle effective radius retrieved by a CALIPSO-like method with two similar methods using MODIS, MODI Airborne Simulator (MAS), and GOES imagery. The CALIPSO-like method uses lidar measurements coupled with the split-window technique that uses the infrared spectral information contained at the 8.65-micrometer, 11.15-micrometer and 12.05-micrometer bands to infer the microphysical properties of cirrus clouds. The two other methods, sing passive remote sensing at visible and infrared wavelengths, are the operational MODIS cloud products (referred to by its archival product identifier MOD06 for MODIS Terra) and MODIS retrievals performed by the CERES team at LaRC (Langley Research Center) in support of CERES algorithms; the two algorithms will be referred to as MOD06- and LaRC-method, respectively. The three techniques are compared at two different latitudes: (i) the mid-latitude ice clouds study uses 18 days of observations at the Palaiseau ground-based site in France (SIRTA: Site Instrumental de Recherche par Teledetection Atmospherique) including a ground-based 532 nm lidar and the Moderate Resolution Imaging Spectrometer (MODIS) overpasses on the Terra Platform, (ii) the tropical ice clouds study uses 14 different flight legs of observations collected in Florida, during the intensive field experiment CRYSTAL-FACE (Cirrus Regional Study of Tropical Anvils and cirrus Layers-Florida Area Cirrus Experiment), including the airborne Cloud Physics Lidar (CPL) and the MAS. The comparison of the three methods gives consistent results for the particle effective radius and the optical thickness, but discrepancies in cloud detection and altitudes. The study confirms the value of an active remote-sensing method (CALIPSO-like) for the study of sub-visible ice clouds, in both mid-latitudes and tropics. Nevertheless, this method is not reliable in optically very thick tropical ice clouds.

Chiriaco, M.↗

A method for the measurement and the statistical analysis of atmospheric turbulence

The instantaneous values of output voltages representing the wind velocity vector and the temperature at different elevations of the 250-foot meteorological tower located at NASA Wallops Flight Center are provided with the three dimensional split-film TSI Model 1080 anemometer system. The output voltages are sampled at a rate of one every 5 milliseconds, digitized and stored on digital magnetic tapes for a time period of approximately 40 minutes, with the use of a specially designed data acqusition system. A new calibration procedure permits the conversion of the digital voltages to the respective values of the temperature and the velocity components in a Cartesian coordinate system connected with the TSI probe with considerable accuracy. Power, cross, coincidence and quadrature spectra of the wind components and the temperature are obtained with the use of the fast Fourier transform. The cosine taper data window and ensemble and frequency smoothing techniques are used to provide smooth estimates of the spectral functions.

Tieleman, H. W.↗

Intercomparison of GOES-8 Imager and Sounder Land Surface Temperature Retrievals

Recent studies at the Global Hydrology and Climate Center (GHCC) have shown that the assimilation of land skin temperature (LST) tendencies into a mesoscale model can significantly improve short term forecasts of near surface temperature and moisture. The high spatial and temporal resolution of GOES derived land surface products provide valuable information about the spatial and temporal variability of the land surface forcing simulated in the model. In the GHCC studies LST was derived using a split window technique requiring at least two longwave infrared window channels and thus, utilized the 11 and 12 micron channels found on the GOES-8 Imager with a nadir spatial resolution of 4km. However, beginning with the launch of GOES-M (scheduled for mid 2001 ) and subsequent satellites the 12 micron channel will be removed from the Imager leaving only one longwave window channel. The GOES Sounder will continue to have more than one longwave infrared window channel (including a 12 micron channel) but, with a spatial resolution of 10 km nadir. LST retrievals from the newer GOES satellites will thus be derived from Sounder measurements at a reduced spatial resolution. This paper intercompares the LST retrievals from the GOES-8 Imager and Sounder. The effects on the LST retrievals due to the Sounder's reduced resolution from that of the Imager and its different longwave infrared channel characteristics are examined. The effects of transitioning from Imager to Sounder LST products on the results from model assimilation of these products are also examined.

Suggs, Ronnie J.↗

Combining visible shadowgraph imaging with x-ray imaging for dynamic shock experiments

Interrogating ejecta particles launched from target materials that are undergoing dynamic shock can be done with both x-ray imaging and visible shadowgraph imaging. Our dynamic testing must be done inside a containment vessel with limited access ports available. We designed an imaging system to relay both types of imaging systems through a single port using the same optical relay and then splitting the images onto three separate high-speed imaging cameras outside the containment vessel. X-ray imaging provides ejecta density measurements. Shadowgraph imaging that is done at two wavelengths (blue and red) constrains ejecta particle size distributions and provides areal density measurements of the ejecta cloud. The ejecta particles are positioned 225 mm before the x-ray scintillators; this arrangement permits a folded mirror system to allow the shadowgraph data to bypass the x-ray scintillators. This configuration results in spatial separations between the intermediate image planes of the x-ray and shadowgraph images along the optical axis. At the position of the x-ray intermediate image plane, mirrors are positioned such that the shadowgraph images are kicked out and their images are sent on to different cameras. Positioning of the large doublet relay lenses keeps shrapnel from impacting the vessel containment windows.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Ice Cloud Properties in Ice-Over-Water Cloud Systems Using TRMM VIRS and TMI Data

A multi-layered cloud retrieval system (MCRS) is updated and used to estimate ice water path in maritime ice-over-water clouds using Visible and Infrared Scanner (VIRS) and TRMM Microwave Imager (TMI) measurements from the Tropical Rainfall Measuring Mission spacecraft between January and August 1998. Lookup tables of top-of-atmosphere 0.65- m reflectance are developed for ice-over-water cloud systems using radiative transfer calculations with various combinations of ice-over-water cloud layers. The liquid and ice water paths, LWP and IWP, respectively, are determined with the MCRS using these lookup tables with a combination of microwave (MW), visible (VIS), and infrared (IR) data. LWP, determined directly from the TMI MW data, is used to define the lower-level cloud properties to select the proper lookup table. The properties of the upper-level ice clouds, such as optical depth and effective size, are then derived using the Visible Infrared Solar-infrared Split-window Technique (VISST), which matches the VIRS IR, 3.9- m, and VIS data to the multilayer-cloud lookup table reflectances and a set of emittance parameterizations. Initial comparisons with surface-based radar retrievals suggest that this enhanced MCRS can significantly improve the accuracy and decrease the IWP in overlapped clouds by 42% and 13% compared to using the single-layer VISST and an earlier simplified MW-VIS-IR (MVI) differencing method, respectively, for ice-over-water cloud systems. The tropical distribution of ice-over-water clouds is the same as derived earlier from combined TMI and VIRS data, but the new values of IWP and optical depth are slightly larger than the older MVI values, and exceed those of single-layered layered clouds by 7% and 11%, respectively. The mean IWP from the MCRS is 8-14% greater than that retrieved from radar retrievals of overlapped clouds over two surface sites and the standard deviations of the differences are similar to those for single-layered clouds. Examples of a method for applying the MCRS over land without microwave data yield similar differences with the surface retrievals. By combining the MCRS with other techniques that focus primarily on optically thin cirrus over low water clouds, it will be possible to more fully assess the IWP in all conditions over ocean except for precipitating systems.

Minnis, Patrick↗

STITCHES: creating new scenarios of climate model output by stitching together pieces of existing simulations

Abstract. Climate model output emulation has long been attempted to support impact research, mainly to fill in gaps in the scenario space. Given the computational cost of running coupled earth system models (ESMs), which are usually the domain of supercomputers and require on the order of days to weeks to complete a century-long simulation, only a handful of different scenarios are usually chosen to externally force ESM simulations. An effective emulator, able to run on standard computers in times of the order of minutes rather than days could therefore be used to derive climate information under scenarios that were not run by ESMs. Lately, the necessity of accounting for internal variability has also made the availability of initial-condition ensembles, under a specific scenario, important, further increasing the computational demand. At least so far, emulators have been limited to simplified ESM-like output, either seasonal, annual, or decadal averages of basic quantities, like temperature and precipitation, often emulated independently of one another. With this work, we propose a more comprehensive solution to ESM output emulation. Our emulator, STITCHES, uses existing archives of earth system models' (ESMs) scenario experiments to construct ESM-like output under new scenarios or enrich existing initial-condition ensembles, which is what other emulators also aim to do. Importantly, however, STITCHES' output has the same characteristics of the ESM output it sets out to emulate: multivariate, spatially resolved, and high frequency, representing both the forced component and the internal variability around it. STITCHES extends the idea of time sampling – according to which climate outcomes are stratified by the global warming level at which they manifest themselves, irrespective of the scenario and time at which they occur – to the construction of a continuous history of ESM-like output over the whole 21st century, consistent with a 21st-century trajectory of global surface air temperature (GSAT) derived from the scenario that has been chosen as the target of the emulation. STITCHES does so by first splitting the target GSAT trajectory into decade-long windows, then matching each window in turn to a decade-long window within an existing model simulation from the available scenario runs according to its proximity to the target in absolute size of the temperature anomaly and its rate of change. A look-up table is therefore created of a sequence of existing experiment–time-window combinations that, when stitched together, create a GSAT trajectory “similar” to the target. Importantly, we can then stitch together much more than GSAT from these windows, i.e., any output that the ESM has saved for these existing experiment–time-window combinations, at any frequency and spatial scale available in its archive. We show that the stitching does not introduce artifacts in the great majority of cases (we look at temperature and precipitation at monthly frequency and on the native grid of the ESM and at an index of ENSO activity, the Southern Oscillation Index). This is true even if the criteria for the identification of the decades to be stitched together are chosen to work for a smoothed time series of annual GSAT, a result we expect given the larger amount of noise affecting most other variables at finer spatial scales and higher frequencies, which therefore are more “forgiving” of the stitching. We successfully test the method's performance over many ESMs and scenarios. Only a few exceptions surface, but these less-than-optimal outcomes are always associated with a scarcity of the archived simulations from which we can gather the decade-long windows that form the building blocks of the emulated time series. In the great majority of cases, STITCHES' performance is satisfactory according to metrics that reward consistency in trends, interannual and inter-ensemble variance, and autocorrelation structure of the time series stitched together. The method therefore can be used to create ESM-like output according to new scenarios, on the basis of a trajectory of GSAT produced according to that scenario, which could be easily obtained by a simple climate model. It can also be used to increase the size of existing initial-condition ensembles. There are aspects of our emulator that will immediately disqualify it for specific applications, like when climate information is needed whose characteristics result from accumulated quantities over windows of times longer than those used as pieces by STITCHES, droughts longer than a decade for example. But for many applications, we argue that a stitched product can satisfy the climate information needs of impact researchers. STITCHES cannot emulate ESM output from scenarios that result in GSAT trajectories outside of the envelope available in the archive, nor can it emulate trajectories with shapes different from existing ones (overshoots with negative derivative, for example). Therefore, the size and characteristics of the available archives of ESM output are the principal limitations for STITCHES' deployment. Thus, we argue for the possibility of designing scenario experiments within, for example, the next phase of the Coupled Model Intercomparison Project according to new principles, relieved of the need to produce a number of similar trajectories that vary only in radiative forcing strength but more strategically covering the space of temperature anomalies and rates of change.

54 ENVIRONMENTAL SCIENCES↗

Software Development: 3D Animations and Creating User Interfaces for Realistic Simulations

My fall 2015 semester was spent at the Lyndon B. Johnson Space Center working in the Integrated Graphics, Operations, and Analysis Laboratory (IGOAL). My first project was to create a video animation that could tell the story of OMICS. OMICS is a term being used in the field of biomedical science to describe the collective technologies that study biological systems, such as what makes up a cell and how it functions with other systems. In the IGOAL I used a large 23 inch Wacom monitor to draw storyboards, graphics, and line art animations. I used Blender as the 3D environment to sculpt, shape, cut or modify the several scenes and models for the video. A challenge creating this video was to take a term used in biomedical science and describe it in such a way that an 8th grade student can understand. I used a line art style because it would visually set the tone for what we thought was an educational style. In order to get a handle on the perspective and overall feel for the animation without overloading my workspace, I split up the 2 minute animation into several scenes. I used Blender's python scripting capabilities which allowed for the addition of plugins to add or modify tools. The scripts can also directly interact with the objects to create naturalistic patterns or movements. After collecting the rendered scenes, I used Blender's built-in video editing workspace to output the animation. My second project was to write software that emulates a physical system's interface. The interface was to simulate a boat, ROV, and winch system. Simulations are a time and cost effective way to test complicated data and provide training for operators without having to use expensive hardware. We created the virtual controls with 3-D Blender models and 2-D graphics, and then add functionality in C# using the Unity game engine. The Unity engine provides several essential behaviors of a simulator, such as the start and update functions. A framework for Unity, which was developed in the lab, provided a way to place the different widgets on the virtual console dock and have them resize correctly based on the window dimensions.. My task in this project was to create the controls and visualizations for the data coming in from the simulator for the boat portion of the project. I wrote a class for each control window to handle the functionality of that widget. I implemented 11 widgets that make up the ship portion of the simulator. The members of the lab were each masters of their craft and I'm glad I had the opportunity to learn from them. I learned to plan strategically so I could finish this project on time. I allotted time for storyboarding, development, and refinement. In regards to animating I learned to use modifiers like lattice, boolean and build deformers. I also learned how to animate with drivers, how to use the dope sheet, and how to use the graph editor. In coding I learned to limit the chances for bugs by privatizing functions that should be exclusive to their class. I learned how to use the GIT repository to commit, stash and pull the latest build. I learned a bit of everything because I had the chance to see the entire application development process from the artwork, to the implementation.

Gordillo, Orlando Enrique↗

Effects of Ice Particle Size Vertical Inhomogeneity on the Passive Remote Sensing of Ice Clouds

The solar reflectance bi-spectral (SRBS) and infrared split-window (IRSpW) methods are two of the most popular techniques for passive ice cloud property retrievals from multispectral imagers. Ice clouds are usually assumed to be vertically homogeneous in global operational algorithms based on these methods, although significant vertical variations of ice particle size are typically observed in ice clouds. In this Study we investigate uncertainties in retrieved optical thickness, effective particle size, and ice water path introduced by a homogeneous cloud assumption in both the SRBS and IRSpW methods, and focus on whether the assumption can lead to significant discrepancies between the two methods. The study simulates the upwelling spectral radiance associated with vertically structured clouds and passes the results through representative SRBS and IRSpW retrieval algorithms. Cloud optical thickness is limited to values for which IRSpW retrievals are possible (optical thickness less than about 7). When the ice cloud is optically thin and yet has a significant ice particle size vertical variation, it is found that both methods tend to underestimate the effective radius and ice water path. The reason for the underestimation is the nonlinear dependence of ice particle scattering properties (extinction and single scattering albedo) on the effective radius. Because the nonlinearity effect is stronger in the IRSpW than the SRBS method, the IRSpW-based IWP tends to be smaller than the SRBS counterpart. When the ice cloud is moderately optically thick, the IRSpW method is relatively insensitive to cloud vertical structure and effective radius retrieval is weighted toward smaller ice particle size, while the weighting function makes the SRBS method more sensitive to the ice particle size in the upper portion of the cloud. As a result, when ice particle size increases monotonically toward cloud base, the two methods are in qualitative agreement; in the event that ice particle size decreases toward cloud base, the effective radius and ice water path retrievals based on the SRBS method are substantially larger than those from the IRSpW. The main findings of this Study Suggest that the homogenous cloud assumption can affect the SRBS and IRSpW methods to different extents and, consequently, can lead to significantly different retrievals. Therefore caution should be taken when comparing and combining the ice cloud property retrievals from these two methods.

Zhang, Zhibo↗