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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Surrogates for Valve-Controlled Pipe Flow: Accelerating Nuclear Reactor Design

Neural surrogate models are developed to replace expensive steady-state RANS CFD simulations for valve-controlled pipe flow in nuclear reactor design. Using parametric CFD data generated with MOOSE Pronghorn across a range of valve geometry and flow conditions, three approaches are compared: a POD-based reduced-order model, a structured UNet on a cylindrical grid, and unstructured models (DeepONet and BiStride MeshGraphNet) on nondimensionalized point clouds. POD achieves the highest accuracy (99%) with fast inference but requires storing all solution snapshots, while the DeepONet and BSMS-GNN both achieve ~89% accuracy at sub-second inference, with the BSMS-GNN offering superior geometric generalizability. These surrogates enable rapid ranking of candidate valve designs and can warm-start CFD solvers to accelerate convergence, supporting agentic design iteration on the Prometheus platform.

42 - ENGINEERING↗
DOE OSTI2020

Panel-Segmentation [SWR-21-18]

Panel-Segmentation contains the scripts for automated metadata extraction of solar PV installations, using satellite imagery coupled with computer vision techniques. In this package, the user can perform the following actions: *Automatically generate a satellite image using a set of lat-long coordinates, and a Google Maps API key. Users would need to set up a Google Cloud account and get a Maps Static API key. Please refer to Setting Up Google Maps Static API Key section for this process. *Perform image segmentation on the satellite image, to locate the solar array(s) in the image on a pixel-by-pixel basis, using an image segmentation model (panel_detection_model.pth). Get classification of the installation (rooftop, ground mounted fixed-tilt or tracking, carport, etc). *Perform azimuth estimation on each solar array cluster in the masked image. *Detect solar panels and get its latitude, longitude, and address within a geographic bounding box through the SOL-Searcher Pipeline. *Detect and calculate hurricane damage on solar installations given pre-hurricane and post-hurricane satellite imagery through the Hurricane Detection Pipeline. *Detect and calculate hail damage on solar installations given satellite imagery through the Hail Detection pipeline. *Convert NOAA MESH (Maximum Estimated Size of Hail) grib2 files into kml or geojson files. *Estimate tilt and azimuth of a solar array by processing USGS LiDAR data for the array’s location.

Edun, Ayobami↗
NASA NTRS1958

Icing Frequencies Experienced During Climb and Descent by Fighter-Interceptor Aircraft

Data and analyses are presented on the relative frequencies of occurrence and severity of icing cloud layers encountered by jet aircraft in the climb and descent phases of flights to high altitudes. Fighter-interceptor aircraft operated by the Air Defense Command (USAF) at bases in the Duluth and Seattle areas collected the data with icing meters installed for a l-year period. The project was part of an extensive program conducted by the NACA to collect Icing cloud data for evaluating the icing problem relevant to routine operations. The average frequency of occurrence of icing was found to be about 5 percent of the number of climbs and descents during 1 year of operations The icing encounters were predominantly in the low and middle cloud layers, decreasing above 15,000 feet to practically none above 25,000 feet. The greatest thickness of ice that would accumulate on any aircraft component (as indicated by the accretion on a small object) was measured with the icing meters. The ice thicknesses on a small sensing probe averaged less than 1/32 inch and did not exceed 1/2 inch. Such accumulations are relatively small when compared with those that can form during horizontal flight in icing clouds. The light accretions resulted from relatively steep angles of flight through generally thin cloud layers. Because of the limited statistical reliability of the results, an analysis was made using previous statistics on icing clouds below an altitude of 20,000 feet to determine the general icing severity probabilities. The calculations were made using adiabatic lifting as a basis to establish the liquid-water content. Probabilities of over-all ice accretions on a small object as a function of airspeed and rate of climb were computed from the derived water contents. These results were then combined with the probability of occurrence of icing in order to give the icing severity that can be expected for routine aircraft operations.

Perkins, Porter J.↗
NASA NTRS1999

Predicting Decade-to-Century Climate Change: Prospects for Improving Models

Recent research has led to a greatly increased understanding of the uncertainties in today's climate models. In attempting to predict the climate of the 21st century, we must confront not only computer limitations on the affordable resolution of global models, but also a lack of physical realism in attempting to model key processes. Until we are able to incorporate adequate treatments of critical elements of the entire biogeophysical climate system, our models will remain subject to these uncertainties, and our scenarios of future climate change, both anthropogenic and natural, will not fully meet the requirements of either policymakers or the public. The areas of most-needed model improvements are thought to include air-sea exchanges, land surface processes, ice and snow physics, hydrologic cycle elements, and especially the role of aerosols and cloud-radiation interactions. Of these areas, cloud-radiation interactions are known to be responsible for much of the inter-model differences in sensitivity to greenhouse gases. Recently, we have diagnostically evaluated several current and proposed model cloud-radiation treatments against extensive field observations. Satellite remote sensing provides an indispensable component of the observational resources. Cloud-radiation parameterizations display a strong sensitivity to vertical resolution, and we find that vertical resolutions typically used in global models are far from convergence. We also find that newly developed advanced parameterization schemes with explicit cloud water budgets and interactive cloud radiative properties are potentially capable of matching observational data closely. However, it is difficult to evaluate the realism of model-produced fields of cloud extinction, cloud emittance, cloud liquid water content and effective cloud droplet radius until high-quality measurements of these quantities become more widely available. Thus, further progress will require a combination of theoretical and modeling research, together with intensified emphasis on both in situ and space-based remote sensing observations.

Somerville, Richard C. J.↗
DOE OSTI2017

Fast Running Urban Dispersion Model for Radiological Dispersal Device (RDD) Releases: Model Description and Validation

Aeolus is an efficient three-dimensional computational fluid dynamics code based on finite volume method developed for predicting transport and dispersion of contaminants in a complex urban area. It solves the time dependent incompressible Navier-Stokes equation on a regular Cartesian staggered grid using a fractional step method. It also solves a scalar transport equation for temperature and using the Boussinesq approximation. The model also includes a Lagrangian dispersion model for predicting the transport and dispersion of atmospheric contaminants. The model can be run in an efficient Reynolds Average Navier-Stokes (RANS) mode with a run time of several minutes, or a more detailed Large Eddy Simulation (LES) mode with run time of hours for a typical simulation. This report describes the model components, including details on the physics models used in the code, as well as several model validation efforts. Aeolus wind and dispersion predictions are compared to field data from the Joint Urban Field Trials 2003 conducted in Oklahoma City (Allwine et al 2004) including both continuous and instantaneous releases. Newly implemented Aeolus capabilities include a decay chain model and an explosive Radiological Dispersal Device (RDD) source term; these capabilities are described. Aeolus predictions using the buoyant explosive RDD source are validated against two experimental data sets: the Green Field explosive cloud rise experiments conducted in Israel (Sharon et al 2012) and the Full-Scale RDD Field Trials conducted in Canada (Green et al 2016).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2010

Projected Applications of a "Climate in a Box" Computing System at the NASA Short-Term Prediction Research and Transition (SPoRT) Center

The NASA Short-term Prediction Research and Transition (SPoRT) Center focuses on the transition of unique observations and research capabilities to the operational weather community, with a goal of improving short-term forecasts on a regional scale. Advances in research computing have lead to "Climate in a Box" systems, with hardware configurations capable of producing high resolution, near real-time weather forecasts, but with footprints, power, and cooling requirements that are comparable to desktop systems. The SPoRT Center has developed several capabilities for incorporating unique NASA research capabilities and observations with real-time weather forecasts. Planned utilization includes the development of a fully-cycled data assimilation system used to drive 36-48 hour forecasts produced by the NASA Unified version of the Weather Research and Forecasting (WRF) model (NU-WRF). The horsepower provided by the "Climate in a Box" system is expected to facilitate the assimilation of vertical profiles of temperature and moisture provided by the Atmospheric Infrared Sounder (AIRS) aboard the NASA Aqua satellite. In addition, the Moderate Resolution Imaging Spectroradiometer (MODIS) instruments aboard NASA s Aqua and Terra satellites provide high-resolution sea surface temperatures and vegetation characteristics. The development of MODIS normalized difference vegetation index (NVDI) composites for use within the NASA Land Information System (LIS) will assist in the characterization of vegetation, and subsequently the surface albedo and processes related to soil moisture. Through application of satellite simulators, NASA satellite instruments can be used to examine forecast model errors in cloud cover and other characteristics. Through the aforementioned application of the "Climate in a Box" system and NU-WRF capabilities, an end goal is the establishment of a real-time forecast system that fully integrates modeling and analysis capabilities developed within the NASA SPoRT Center, with benefits provided to the operational forecasting community.

Jedlovec, Gary J.↗
NASA NTRS2012

Interannual Variability of OLR as Observed by AIRS and CERES

This paper compares spatial anomaly time series of OLR (Outgoing Longwave Radiation) and OLR(sub CLR) (Clear Sky OLR) as determined using observations from CERES Terra and AIRS over the time period September 2002 through June 2011. Both AIRS and CERES show a significant decrease in global mean and tropical mean OLR over this time period. We find excellent agreement of the anomaly time-series of the two OLR data sets in almost every detail, down to 1 deg X 1 deg spatial grid point level. The extremely close agreement of OLR anomaly time series derived from observations by two different instruments implies that both sets of results must be highly stable. This agreement also validates to some extent the anomaly time series of the AIRS derived products used in the computation of the AIRS OLR product. The paper also examines the correlations of anomaly time series of AIRS and CERES OLR, on different spatial scales, as well as those of other AIRS derived products, with that of the NOAA Sea Surface Temperature (SST) product averaged over the NOAA Nino-4 spatial region. We refer to these SST anomalies as the El Nino Index. Large spatially coherent positive and negative correlations of OLR anomaly time series with that of the El Nino Index are found in different spatial regions. Anomalies of global mean, and especially tropical mean, OLR are highly positively correlated with the El Nino Index. These correlations explain that the recent global and tropical mean decreases in OLR over the period September 2002 through June 2011, as observed by both AIRS and CERES, are primarily the result of a transition from an El Nino condition at the beginning of the data record to La Nina conditions toward the end of the data period. We show that the close correlation of global mean, and especially tropical mean, OLR anomalies with the El Nino Index can be well accounted for by temporal changes of OLR within two spatial regions which lie outside the NOAA Nino-4 region, in which anomalies of cloud cover and mid-tropospheric water vapor are both highly negatively correlated with the El Nino Index. Agreement of the AIRS and CERES OLR(sub CLR) anomaly time series is less good, which may be a result of the large sampling differences in the ensemble of cases included in each OLR(sub CLR) data set.

Susskind, Joel↗
NASA NTRS2023

Extragalactic Magnetism with SOFIA (SALSA Legacy Program). V. First Results on the Magnetic Field Orientation of Galaxies

We present the analysis of the magnetic field ( B -field) structure of galaxies measured with far-infrared (FIR) and radio (3 and 6 cm) polarimetric observations. We use the first data release of the Survey of extragALactic magnetiSm with SOFIA of 14 nearby (<20 Mpc) galaxies with resolved (5"-18" ; 90 pc–1 kpc) imaging polarimetric observations using SOFIA/HAWC+ from 53 to 214 μm . We compute the magnetic pitch-angle (𝜓 B ) profiles as a function of the galactocentric radius. We introduce a new magnetic alignment parameter ( ζ ) to estimate the disordered-to-ordered ratio of spiral B -fields. We find FIR and radio wavelengths to not generally trace the same B -field morphology in galaxies. The 𝜓 B profiles tend to be more ordered across all galactocentric radii in radio ( ζ 6cm = 0.93 + 0.03) than in FIR ( ζ 154μm = 0.84 + 0.14). For spiral galaxies, FIR B -fields are 2%–75% more turbulent than the radio B -fields. For starburst galaxies, we find that FIR polarization is a better tracer of the B -fields along the galactic outflows than radio polarization. Our results suggest that the B -fields associated with dense, dusty, turbulent star-forming regions (those traced at FIR) are less ordered than warmer, less dense regions (those traced at radio) of the interstellar medium. The FIR B -fields seem to be more sensitive to the activity of the star-forming regions and molecular clouds within a vertical height of a few hundred parsecs in the disk of spiral galaxies than the radio B -fields.

magnetic field (B-field)↗
DOE OSTI2022

WISP: Watching grid Infrastructure Stealthily through Proxies (Final Technical Report)

The complex interdependencies of cyber systems (sensors and communications), physical grids and associated electricity market operations make protecting electric power grids a significant challenge. The energy sector is constantly under new, targeted, advanced and dangerous cyber-attacks that have the potential to result in the loss of human life. These threats are further exacerbated by our need to modernize the grid. One focus of cyber security research in smart grids is the securing of the SCADA system through advanced intrusion detection systems (IDS) and bad data detection algorithms in state estimation. These methods either require full knowledge of the system topology and parameters or fail to understand the physical behaviors under attack. WISP (Watching grid Infrastructure Stealthily through Proxies) is designed to provide additional protection to the power grid using only publicly available data. In particular, WISP exploits the spatio-temporal nature of the real time locational marginal prices (LMPs), in conjunction with other information such as bids, weather, outages and load data to analyze anomalous power pricing behaviors and then correlate those observations to localize regions of interest and identify potential cyber events. WISP is non-intrusive as the tool is deployed as a service in the Cloud or on premise and provides reliable information to system operators for enhanced situational awareness, without impeding energy delivery functions. The WISP technology comprises three modules: the data-driven anomaly detection core, the vulnerability and risk analysis and the root cause analysis. The data-driven anomaly detection core performs the tasks of feature selection, anomaly detection and attack region localization. The vulnerability and risk analysis module provides system level information of the vulnerable variables and times, assisting the operators in selecting monitoring and protection nodes. The root cause analysis module takes the detection results and identifies potential operational conditions that contribute to the detected anomalies. In Phase I, we have demonstrated the feasibility and effectiveness of WISP. We developed a realistic electricity market simulator capable of generating normal and attack market data under various operational conditions. We developed a series of cyber-attack detection and analysis algorithms and evaluated them under multiple data sources. Finally, we integrated all modules into an end-to-end software, providing functions for data management, data analytics and visualization. Specifically, we have achieved: (i) real-time data acceptance from external utility interfaces with >99% acceptance rate; (ii) high performance anomaly detection algorithms with >98% detection accuracy and <0.1% false alarm rate; and (iii) ultra-low computing delay <50 milliseconds. Additionally, our team developed algorithms to identify the vulnerable variables in electricity market operations and root cause analysis functions to identify major contributors to the price spikes. These ancillary modules are necessary when deploying WISP in real world industry environment. In Phase II, we have demonstrated the effectiveness of WISP software on realistic largescale power systems. We performed red team testing for the Phase I WISP software and identified software vulnerabilities and implemented corresponding mitigation solutions. We adapted the electricity market simulator for the Texas synthetic 2000-bus system and generated datasets for the false data injection attacks. We created database and visualization interfaces for the Texas system and the ISO New England system. We performed software optimization in terms of operation efficiency, computing speed and detection accuracy. Finally, we tested the software on the Texas system and the ISO New England system and evaluated the detection performance. Overall, we achieved above 89% detection rate, below 3% false alarm rate and below 37 seconds of end-to-end detection delay.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Throughput Estimation of Data Transport Networks From Digital Twin Measurements

Digital twins of networked infrastructures, known as Virtual Infrastructure Twins (VITs), are increasingly used for software development, pre-deployment testing, and design space exploration. While VITs avoid the costs and potential disruptions associated with experiments on operational networks, their throughput measurements are typically not sufficiently accurate for performance profiling of wide-area networks that they emulate. Here, machine learning (ML) methods are developed to transform these inaccurate VIT network throughput measurements to closely match in peak and overall profile of those from a physical testbed or production network. First, a micro kernel network reflecting a physical network is utilized to collect one-time measurements on a host to support this ML transformation. Then, a generic multi-modal ML method is developed to learn a map that transforms measurements from subsequent VITs on the same host to match past, current and follow-on testbed and cloud networks. ML generalization equations are derived to establish its correctness and probabilistically guarantee its generalization accuracy. Experimental results are presented for a variety of VIT hosts with target testbed and cloud networks; they include a case study of a four-site science ecosystem wherein inaccurate convex VIT measurement profiles are transformed into accurate concave profiles of target networks.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1998

Airborne lidar observations of smoke haze during SCAR-B 1995

The Smoke, Clouds, Aerosol, and Radiation Brazil(SCAR-B) field campaign was conducted to study the effects that widespread and persistent biomass burning have upon radiative and chemical processes in the atmosphere. The radiative transfer characteristics of the atmosphere are altered by the introduction of particulate and gaseous materials which are the products of the combustion of vegetative material at ground level. These substances are transported and distributed horizontally and vertically by atmospheric dynamical processes which may be perturbed by the heat energy from the fires. As the pollutants disperse, their physical and chemical properties change substantially. A complete description of the effects of smoke requires that the evolution back to the natural situation be fully examined. A most important component of smoke haze investigation is finding its vertical and horizontal distribution in relation to the driving factors of dynamics and the related horizontal transport. In this presentation, we employ data from the Cloud Lidar System(CLS), carried aboard the NASA ER-2 aircraft, to provide a unique view of the particulate or aerosol loading produced by fires, especially with regard to the geometrical distribution of the aerosols in the vertical plane. The lidar has the ability to measure aerosol optical properties in a continuous fashion at quite fine vertical and horizontal resolution. The results from the lidar provide measurements that are largely independent of influences that corrupt passive instruments and thus it can serve to corroborate their results. The extended horizontal and vertical range of lidar results can also augment ground based and airborne in situ measurements which have limited horizontal and vertical scope. We present the results of our analysis of CLS observations taken during the SCAR-B field campaign. Observations of the the aerosol optical thickness from the Aerosol Robotic Network(AERONET) of solar photometers are employed in conjunction with CLS data to derive extinction to backscatter ratio values which are used to convert the lidar backscatter coefficient into extinction coefficient. The extinction coefficient is integrated vertically to find aerosol optical thickness along ER-2 flight tracks. We use images of the CLS derived extinction coefficient to depict its horizontal and vertical distribution. Multispectral photometer optical thickness is used to compute the Angstrom exponent. With these, we examine the hypothesis that the values of extinction to backscatter ratio can be related to the Anstrom coefficient since both of these would be a function of the refractive index and size distribution of the aerosols.

Hart, William D.↗
NASA NTRS2011

NASA's Integrated Instrument Simulator Suite for Atmospheric Remote Sensing from Spaceborne Platforms (ISSARS) and Its Role for the ACE and GPM Missions

Forward simulation is an indispensable tool for evaluation of precipitation retrieval algorithms as well as for studying snow/ice microphysics and their radiative properties. The main challenge of the implementation arises due to the size of the problem domain. To overcome this hurdle, assumptions need to be made to simplify compiles cloud microphysics. It is important that these assumptions are applied consistently throughout the simulation process. ISSARS addresses this issue by providing a computationally efficient and modular framework that can integrate currently existing models and is also capable of expanding for future development. ISSARS is designed to accommodate the simulation needs of the Aerosol/Clouds/Ecosystems (ACE) mission and the Global Precipitation Measurement (GPM) mission: radars, microwave radiometers, and optical instruments such as lidars and polarimeter. ISSARS's computation is performed in three stages: input reconditioning (IRM), electromagnetic properties (scattering/emission/absorption) calculation (SEAM), and instrument simulation (ISM). The computation is implemented as a web service while its configuration can be accessed through a web-based interface.

real-aperture instruments↗
NASA NTRS2023

Extragalactic Magnetism with SOFIA (SALSA Legacy Program) - V. First Results on the Magnetic Field Orientation of Galaxies

We present the analysis of the magnetic field (B-field) structure of galaxies measured with far-infrared (FIR) and radio (3 and 6 cm) polarimetric observations. We use the first data release of the Survey of extragALactic magnetiSm with SOFIA (SALSA) of 14 nearby (< 20 Mpc) galaxies with resolved (5′′ − 18′′; 90 pc–1 kpc) imaging polarimetric observations using SOFIA/HAWC+ from 53 to 214 μm. We compute the magnetic pitch angle (Ψ B ) profiles as a function of the galactocentric radius. We introduce a new magnetic alignment parameter (ζ) to estimate the disordered-to-ordered ratio of spiral B -fields. We find FIR and radio wavelengths to not generally trace the same B -field morphology in galaxies. The Ψ B profiles tend to be more ordered across all galactocentric radii in radio (ζ 6cm = 0.93 ± 0.03) than in FIR (ζ 154μm = 0.84 ± 0.14). For spiral galaxies, FIR B-fields are 2−75% more turbulent than the radio B -fields. For starburst galaxies, we find that FIR polarization is a better tracer of the B -fields along the galactic outflows than radio polarization. Our results suggest that the B -fields associated with dense, dusty, turbulent star-forming regions, those traced at FIR, are less ordered than warmer, less-dense regions, those traced at radio, of the interstellar medium. The FIR B -fields seem to be more sensitive to the activity of the star-forming regions and molecular clouds within a vertical height of few hundred pc in the disk of spiral galaxies than the radio B -fields.

SALSA↗
DOE OSTI2012

Application of new simulation algorithms for modeling rf diagnostics of electron clouds

Traveling wave rf diagnostics of electron cloud build-up show promise as a non-destructive technique for measuring plasma density and the efficacy of mitigation techniques. However, it is very difficult to derive an absolute measure of plasma density from experimental measurements for a variety of technical reasons. Detailed numerical simulations are vital in order to understand experimental data, and have successfully modeled build-up. Such simulations are limited in their ability to reproduce experimental data due to the large separation of scales inherent to the problem. Namely, one must resolve both rf frequencies in the GHz range, as well as the plasma modulation frequency of tens of MHz, while running for very long simulations times, on the order of microseconds. The application of new numerical simulation techniques allow us to bridge the simulation scales in this problem and produce spectra that can be directly compared to experiments. The first method is to use a plasma dielectric model to measure plasma-induced phase shifts in the rf wave. The dielectric is modulated at a low frequency, simulating the effects of multiple bunch crossings. This allows simulations to be performed without kinetic particles representing the plasma, which both speeds up the simulations as well as reduces numerical noise from interpolation of particle charge and currents onto the computational grid. Secondly we utilize a port boundary condition model to simultaneously absorb rf at the simulation boundaries, and to launch the rf into the simulation. This method improves the accuracy of simulations by restricting rf frequencies better than adding an external (finite) current source to drive rf, and absorbing layers at the boundaries. We also explore the effects of non-uniform plasma densities on the simulated spectra.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

SU-F-P-09: A Global Medical Physics Collaboration for Implementation of Modern Radiotherapy in Botswana

Purpose: The global burden of cancer is considerable, particularly in low and middle-income countries. Massachusetts General Hospital (MGH) and Botswana-Harvard AIDS Institute have partnered with the oncology community and government of Botswana to form BOTSOGO (BOTSwana Oncology Global Outreach) to address the rising burden of cancer in Botswana. Currently, radiation therapy (RT) is only available at a single linear accelerator (LINAC) in Gaborone Private Hospital (GPH). BOTSOGO worked to limit the absence of RT during a LINAC upgrade and ensure a safe transition to modern radiotherapy techniques. Methods: The existing Elekta Precise LINAC was decommissioned in November 2015 and replaced with a new Elekta VERSA-HD with IMRT/VMAT/CBCT capability. Upgraded treatment planning and record-and-verify systems were also installed. Physicists from GPH and MGH collaborated during an intensive on-site visit in Botswana during the commissioning process. Measurements were performed using newly purchased Sun Nuclear equipment. Photon beams were matched with an existing model to minimize the time needed for beam modeling and machine down time. Additional remote peer review was also employed. Independent dosimetry was performed by irradiating OSLDs, which were subsequently analyzed at MGH. Results: Photon beam quality agreed with reference data within 0.2%. Electron beam data agreed with example clinical data within 3%. Absolute dose calibration was performed using both IAEA and AAPM protocols. Absolute dose measurements with OSLDs agreed within 5%. Quentry cloud-based software was installed to facilitate remote review of treatment plans. Patient treatments resumed in February 2016. The time without RT was reduced, therefore likely resulting in reduced patient morbidity/mortality. Conclusion: A global physics collaboration was utilized to commission a modern LINAC in a resource-constrained setting. This can be a useful model in other areas with limited resources. Further use of technology and on-site exchanges will facilitate the introduction of more advanced techniques in Botswana. We acknowledge funding support from the AAPM International Educational Activities Committee and the NCI Federal Share Proton Beam Program Income Grant.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2021

Application of Radon Transform to Multi-Angle Measurements Made by the Research Scanning Polarimeter: A New Approach to Cloud Tomography. Part I: Theory and Tests on Simulated Data.

The Research Scanning Polarimeter (RSP) is an airborne along-track scanner measuring the polarized and total reflectances in 9 spectral channels. The RSP was a prototype for the Aerosol Polarimetry Sensor (APS) launched on-board the NASA Glory satellite. Currently the retrieval algorithms developed for the RSP are being adopted for the measurements of the space-borne polarimeters on the upcoming NASA’s Plankton, Aerosol, Cloud Ocean Ecosystem (PACE)satellite mission. The RSP’s uniquely high angular resolution coupled with the high frequency of measurements allows for characterization of liquid water cloud droplet sizes using the polarized rainbow structure. It also provides geometric constraints on the cumulus cloud’s 2D cross section yielding the cloud’s geometric shape estimates. In this study we further build on the latter technique to develop a new tomographic approach to retrieval of cloud internal structure from remote sensing measurements. While tomography in the strict definition is a technique based on active measurements yielding a tomogram (directional optical thickness as a function of angle and offset of the view ray), we developed a “semi-tomographic” approach in which tomogram of the cloud is estimated from passive observations instead of being measured directly. This tomogram is then converted into 2D spatial distribution of the extinction coefficient using inverse Radon transform (filtered back projection) which is the standard tomographic procedure used e.g., in medical CT scans. This algorithm is computationally inexpensive compared to techniques relying on highly-multi-dimensional least-square fitting; it does not require iterative 3D RT simulations. The resulting extinction distribution is defined up to an unknown constant factor, so we discuss the ways to calibrate it using additional independent measurements. In the next step we use the profile of the droplet size distribution parameters from the cloud’s side (derived by fitting the polarized rainbows) to convert the 2D extinction distribution into that of the droplet number concentration. We illustrate and validate the proposed technique using 3D-RT-simulatedRSP observations of a LES-generated Cu cloud. Quantitative comparisons between the retrieved and the original optical and microphysical parameters are presented.

clouds↗
NASA NTRS2000

Aerosol-Induced Radiative Flux Changes Off the United States Mid-Atlantic Coast: Comparison of Values Calculated from Sunphotometer and In Situ Data with Those Measured by Airborne Pyranometer

The Tropospheric Aerosol Radiative Forcing Observational Experiment (TARFOX) measured a variety of aerosol radiative effects (including flux changes) while simultaneously measuring the chemical, physical, and optical properties of the responsible aerosol particles. Here we use TARFOX-determined aerosol and surface properties to compute shortwave radiative flux changes for a variety of aerosol situations, with midvisible optical depths ranging from 0.06 to 0.55. We calculate flux changes by several techniques with varying degrees of sophistication, in part to investigate the sensitivity of results to computational approach. We then compare computed flux changes to those determined from aircraft measurements. Calculations using several approaches yield downward and upward flux changes that agree with measurements. The agreement demonstrates closure (i.e. consistency) among the TARFOX-derived aerosol properties, modeling techniques, and radiative flux measurements. Agreement between calculated and measured downward flux changes is best when the aerosols are modeled as moderately absorbing (midvisible single-scattering albedos between about 0.89 and 0.93), in accord with independent measurements of the TARPOX aerosol. The calculated values for instantaneous daytime upwelling flux changes are in the range +14 to +48 W/sq m for midvisible optical depths between 0.2 and 0.55. These values are about 30 to 100 times the global-average direct forcing expected for the global-average sulfate aerosol optical depth of 0.04. The reasons for the larger flux changes in TARFOX include the relatively large optical depths and the focus on cloud-free, daytime conditions over the dark ocean surface. These are the conditions that produce major aerosol radiative forcing events and contribute to any global-average climate effect.

Russell, P. B.↗
DOE OSTI2019

Combined Experimental and Computational Study on the Reaction Dynamics of the 1-Propynyl (CH 3 CC)–1,3-Butadiene (CH 2 CHCHCH 2 ) System and the Formation of Toluene under Single Collision Conditions

In our research, the crossed beams reactions of the 1-propynyl radical (CH 3 CC; X 2 A 1 ) with 1,3-butadiene (CH 2 CHCHCH 2 ; X 1 Ag), 1,3-butadiene- d 6 (CD 2 CDCDCD 2 ; X 1 Ag), 1,3-butadiene- d 4 (CD 2 CHCHCD 2 ; X 1 Ag), and 1,3-butadiene- d 2 (CH 2 CDCDCH 2 ; X 1 Ag) were performed under single collision conditions at collision energies of about 40 kJ mol –1 . The underlying reaction mechanisms were unraveled through the combination of the experimental data with electronic structure calculations at the CCSD(T)-F12/cc-pVTZ-f12//B3LYP/6-311G(d,p) + ZPE(B3LYP/6-311G(d,p) level of theory along with statistical Rice–Ramsperger–Kassel–Marcus (RRKM) calculations. Together, these data suggest the formation of the thermodynamically most stable C 7 H 8 isomer—toluene (C 6 H 5 CH 3 )—via the barrierless addition of 1-propynyl to the 1,3-butadiene terminal carbon atom, forming a low-lying C 7 H 9 intermediate that undergoes multiple isomerization steps resulting in cyclization and ultimately aromatization following hydrogen atom elimination. RRKM calculations predict that the thermodynamically less stable isomers 1,3-heptadien-5-yne, 5-methylene-1,3-cyclohexadiene, and 3-methylene-1-hexen-4-yne are also synthesized. Since the 1-propynyl radical may be present in cold molecular clouds such as TMC-1, this pathway could potentially serve as a carrier of the methyl group incorporating itself into methyl-substituted (poly)acetylenes or aromatic systems such as toluene via overall exoergic reaction mechanisms that are uninhibited by an entrance barrier. Such pathways are a necessary alternative to existing high energy reactions leading to toluene that are formally closed in the cold regions of space and are an important step toward understanding the synthesis of polycyclic aromatic hydrocarbons (PAHs) in space’s harsh extremes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗