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At least 1,009 records · Page 56

The UV to Near-IR Optical Properties of PAHs: A Semi-Empirical Model

Interstellar Polycyclic Aromatic Hydrocarbon (PAH) infrared emission features represent an important and unique diagnostic tool of the chemical and physical conditions throughout the universe. However, one challenge facing the widely accepted PAH emission model has been the detection of infrared features in regions of low UV flux. Utilizing recently published laboratory Near Infrared VIR) PAH ion absorption data measured in our laboratory, we build upon previous models for PAH ion absorption in the UV-Vis to extrapolate a new model which incorporates PAH ion absorption in the NIR. This model provides a basis for comparing the relative energy absorption of PAH ions in the UV-Vis and NIR regions for a wide variety of stellar types. This model demonstrates that the radiation from late-type stars can pump the mid-IR PAH features.

Mattioda, A. L.↗

On the Prospect of Chemically Transferable Coarse-Grained Electronic Models for Soft Materials

Electronic coarse-graining (ECG) methods predict quantum-mechanical electronic properties directly from coarse-grained (CG) molecular configurations, enabling electronic predictions at mesoscale length scales. Here, we present a diagnostic assessment of the feasibility of chemically transferable ECG models across a broad polymer-relevant chemical space using all-atom, united-atom, and Martini-scale representations. While high-resolution ECG models achieve near-quantitative accuracy, we show that chemically transferable ECG at the Martini resolution fails because the CG force field does not sample the same configurational distribution of local molecular structure as that underlying the DFT-parameterized ECG model. We demonstrate that our proposed Element-Count-Label (ECL) representation, which augments Martini beads with explicit stoichiometric data, significantly improves chemical generalization across diverse polymer chemistries. However, we find that even with improved chemical resolution, the model cannot recover electronic property distributions that are absent from the configurational space sampled by the CG force field. These results demonstrate that chemically transferable ECG requires future Martini-like force fields to explicitly preserve quantum chemistry–compatible local molecular structure in addition to thermodynamic and structural fidelity.

Kidder, Katherine M [Department of Chemistry; Univ↗

Photoionization Modeling and the K Lines of Iron

We calculate the efficiency of iron K line emission and iron K absorption in photoionized models using a new set of atomic data. These data are more comprehensive than those previously applied to the modeling of iron K lines from photoionized gases, and allow us to systematically examine the behavior of the properties of line emission and absorption as a function of the ionization parameter, density and column density of model constant density clouds. We show that, for example, the net fluorescence yield for the highly charged ions is sensitive to the level population distribution produced by photoionization, and these yields are generally smaller than those predicted assuming the population is according to statistical weight. We demonstrate that the effects of the many strongly damped resonances below the K ionization thresholds conspire to smear the edge, thereby potentially affecting the astrophysical interpretation of absorption features in the 7-9 keV energy band. We show that the centroid of the ensemble of K(alpha) lines, the K(beta) energy, and the ratio of the K(alpha(sub 1)) to K(alpha(sub 2)) components are all diagnostics of the ionization parameter of our model slabs.

Kallman, T. R.↗

Development of a Turbofan Engine Simulation in a Graphical Simulation Environment

This paper presents the development of a generic component level model of a turbofan engine simulation with a digital controller, in an advanced graphical simulation environment. The goal of this effort is to develop and demonstrate a flexible simulation platform for future research in propulsion system control and diagnostic technology. A previously validated FORTRAN-based model of a modern, high-performance, military-type turbofan engine is being used to validate the platform development. The implementation process required the development of various innovative procedures, which are discussed in the paper. Open-loop and closed-loop comparisons are made between the two simulations. Future enhancements that are to be made to the modular engine simulation are summarized.

Parker, Khary I.↗

Laser diagnostics for small rockets

Two nonintrusive flowfield diagnostics based on spectrally-resolved elastic (Rayleigh) and inelastic (Raman) laser light scattering were developed for obtaining local flowfield measurements in low-thrust gaseous H2/O2 rocket engines. The objective is to provide an improved understanding of phenomena occurring in small chemical rockets in order to facilitate the development and validation of advanced computational fluid dynamics (CFD) models for analyzing engine performance. The laser Raman scattering diagnostic was developed to measure major polyatomic species number densities and rotational temperatures in the high-density flowfield region extending from the injector through the chamber throat. Initial application of the Raman scattering diagnostic provided O2 number density and rotational temperature measurements in the exit plane of a low area-ratio nozzle and in the combustion chamber of a two-dimensional, optically-accessible rocket engine. In the low-density nozzle exit plane region where the Raman signal is too weak, a Doppler-resolved laser Rayleigh scattering diagnostic was developed to obtain axial and radial mean gas velocities, and in certain cases, H2O translational temperature and number density. The results from these measurements were compared with theoretical predictions from the RPLUS CFD code for analyzing rocket engine performance. Initial conclusions indicate that a detailed and rigorous modeling of the injector is required in order to make direct comparisons between laser diagnostic measurements and CFD predictions at the local level.

Zupanc, Frank J.↗

Model Data Archive Associated with Manuscript "Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon"

This data package supports the publication “Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon” by Li et al. (2026). The package contains processed model inputs, configuration files, restart files, simulation outputs, scripts, and visualization products used to evaluate post-fire dissolved organic carbon (DOC) dynamics in the Naches River Watershed, Washington, USA, following the 2021 Schneider Springs Fire. The modeling workflow couples ELM-BGC, the biogeochemistry-enabled Energy Exascale Earth System Model Land Model; ATS, the Advanced Terrestrial Simulator for integrated surface-subsurface hydrology; and PFLOTRAN, a reactive transport model for multicomponent aqueous geochemistry. Together, these models simulate how wildfire-induced changes in vegetation, litter, coarse woody debris, and soil organic matter influence DOC production, transport, and reaction from burned hillslopes to stream networks. The archive includes preprocessed meteorological, geospatial, hydrologic, and biogeochemical forcing data; ELM-BGC-derived DOC source terms; ATS mesh files; PFLOTRAN reactive-transport inputs; model configuration files; spin-up and transient restart files; watershed-scale diagnostic outputs; stream concentration time series; and figures or visualization files used to inspect and reproduce key results. File types include Hierarchical Data Format 5 (HDF5) files for gridded forcing and model-coupling data, model input and configuration files for ELM-BGC, ATS, and PFLOTRAN, restart and simulation-output files generated by the modeling workflow, tabular or time-series diagnostic outputs, scripts for post-processing and figure generation, and image or visualization products associated with the manuscript. Use of the package depends on the intended task. Re-running the simulations requires the relevant modeling software, including ELM-BGC, ATS, and PFLOTRAN as ATS's geochemical engine. Inspecting outputs and reproducing figures requires Python with scientific plotting libraries such as Matplotlib, and three-dimensional model outputs may be viewed with ParaView. Geographic information system files or maps may be inspected with ArcGIS Pro or comparable GIS software. The data package is intended to enable traceability, reuse, and partial reproduction of the coupled land-to-watershed hydro-biogeochemical modeling workflow used to test how wildfire disturbance affects terrestrial carbon pools and downstream DOC dynamics.

ATS↗

Neutral parcel transport in the high latitude F-region

The NCAR Thermospheric General Circulation model (TGCM) is used together with a 'post-processor' diagnostic package to analyze neutral parcel transport in the high latitude F-region. The diagnostic package includes a feature that enables individual parcels of neutral gas to be tracked by interpolation through the TGCM model grid in time and space. Various trajectories have been calculated to illustrate the predicted loci of neutral gas parcels that encounter large ion-drag forces due to the ionospheric mapping of the magnetospheric convection electric field. The trajectories, calculated for a 'steady state', diurnally reproducible run of the TGCM, show that the cusp region plays an exceedingly important regulatory or nozzle role for the overall flow pattern and has great influence on the energization of the F-region polar cap. In particular, it is found that the trajectory of a 'typical' F-region neutral gas parcel passes through the cusp region at least once and sometimes twice in a 24 hour period due to the convergent geometry of the ion convection pattern.

Killeen, T. L.↗

Selecting Meteorological Input for the Global Modeling Initiative Assessments

The Global Modeling Initiative (GMI) science team has developed a three dimensional chemistry and transport model (CTM) to evaluate the impact of the exhaust of supersonic aircraft on the stratosphere. An important goal of the GMI is to test modules for numerical transport, photochemical integration, and model dynamics within a common framework. This work is focussed on the dependence of the overall assessment on the wind and temperature fields used by the CTM. Three meteorological data sets for the stratosphere were available to GMI: the National Center for Atmospheric Research Community Climate Model (CCM2), the Goddard Earth Observing System Data Assimilation System (GEOS-DAS), and the Goddard Institute for Space Studies general circulation model (GISS-2'). Objective criteria were established by the GMI team to evaluate which of these three data sets provided the best representation of trace gases in the stratosphere today. Tracer experiments were devised to test various aspects of model transport. Stratospheric measurements of long-lived trace gases were selected as a test of the CTM transport. This presentation describes the criteria used in grading the meteorological fields and the resulting choice of wind fields to be used in the GMI assessment. This type of objective model evaluation will lead to a higher level of confidence in these assessments. We suggest that the diagnostic tests shown here be used to augment traditional general circulation model evaluation methods.

Strahan, Susan↗

The Strengths and Limitations of Satellite Data for Evaluating Tropospheric Processes in Chemistry-Climate Models

There is now a wealth of satellite data products available with which to evaluate a model fs simulation of tropospheric composition and other model processes. All of these data products have their strengths and limitations that need to be considered for this purpose. For example, uncertainties are introduced into a data product when 1) converting a slant column to a vertical column and 2) estimating the amount of a total column of a trace gas (e.g., ozone, nitrogen dioxide) that resides in the troposphere. Oftentimes, these uncertainties are not well quantified and the satellite data products are not well evaluated against in situ observations. However, these limitations do not preclude us from using these data products to evaluate our model processes if we understand these strengths and limitations when developing diagnostics. I will show several examples of how satellite data products are being used to evaluate particular model processes with a focus on the strengths and limitations of these data products. In addition, I will introduce the goals of a newly formed team to address issues on the topic of "satellite data for improved model evaluation and process studies" that is established in support of the IGAC/SPARC Global Chemistry ]Climate Modeling and Evaluation Workshop.

Duncan, Bryan↗

Accuracy of Fukuoka and American Gastroenterological Association Guidelines for Predicting Advanced Neoplasia in Pancreatic Cyst Neoplasm: A Meta-Analysis

Background: A differential diagnosis of advanced pancreatic cystic neoplasms (PCNs) is critical to determine optimal treatment. The Fukuoka and American Gastroenterological Association (AGA) guidelines are the most widely accepted criteria for the management of PCNs. Objective: This study aimed to evaluate the diagnostic value of these guidelines in predicting advanced neoplasia (AN). Methods: A comprehensive electronic search of the PubMed, EMBASE, Web of Science, Cochrane Library, and Scopus databases was conducted to identify all relevant studies evaluating the Fukuoka and AGA guidelines in surgically resected and histologically confirmed PCNs. Pooled sensitivity, specificity, and diagnostic odds ratios (DORs) were calculated as compound measures of diagnostic accuracy using the random-effects model. Summary of receiver operating characteristic (SROC) curves and the area under the curve (AUC) were also performed. Results: A total of 21 studies with 3723 patients were included in this meta-analysis. Of these studies, 15, 4, and 2 evaluated the Fukuoka guidelines, the AGA guidelines, and both guidelines, respectively. For AN prediction, the Fukuoka guidelines had a pooled sensitivity of 0.67 (95% confidence interval [CI] 0.64–0.70), pooled specificity of 0.64 (95% CI 0.62–0.66), and pooled DOR of 6.28 (95% CI 4.38–9.01), with an AUC of the SROC of 0.78. AGA guidelines showed a pooled sensitivity of 0.59 (95% CI 0.52–0.65), pooled specificity of 0.77 (95% CI 0.74–0.80), and pooled DOR of 5.84 (95% CI 2.60–13.15), with an AUC of 0.79 (95% CI 0.70–0.88). Conclusion: When used alone, the Fukuoka and AGA guidelines showed similar but unsatisfactory diagnostic accuracy in the risk stratification of malignant potential of PCN. Thus, we recommend that they be applied only as a broad framework in clinical practice.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Laser techniques for arc jet plasma diagnostics; continuation of a feasibility and design study

This study is concerned with the continuation of a feasibility and design study of laser-based diagnostic techniques for the non-instrusive measurement of species concentrations, temperatures, and velocity in the low density, high enthalpy flow through the arc-heated wind tunnel facility (ARMSEF) at NASA/JSC. Last summer several laser-induced radiation scattering methods were investigated and some preliminary measurements of the spectral distribution of radiation emitted by the arc-heated gas flow were made. Based upon those preliminary measurements and subsequent investigations, four laser-induced radiation scattering methods were selected for further detailed study, and preliminary design of a measurement system has been undertaken. Further measurements of the spectral distribution of radiation emitted from the arc-heated free stream and shock layer flows, using a redesigned measurement system, have been made for one axial position in the flow for a range of tunnel operating power levels. Further study of the literature for physical property data, theoretical models of processes, and applications of the diagnostic methods has been also carried out.

Wierum, F. A.↗

Knowledge-based Autonomous Test Engineer (KATE)

Mathematical models of system components have long been used to allow simulators to predict system behavior to various stimuli. Recent efforts to monitor, diagnose, and control real-time systems using component models have experienced similar success. NASA Kennedy is continuing the development of a tool for implementing real-time knowledge-based diagnostic and control systems called KATE (Knowledge based Autonomous Test Engineer). KATE is a model-based reasoning shell designed to provide autonomous control, monitoring, fault detection, and diagnostics for complex engineering systems by applying its reasoning techniques to an exchangeable quantitative model describing the structure and function of the various system components and their systemic behavior.

Parrish, Carrie L.↗

Flame spread across liquid pools

For flame spread over liquid fuel pools, the existing literature suggests three gravitational influences: (1) liquid phase buoyant convection, delaying ignition and assisting flame spread; (2) hydrostatic pressure variation, due to variation in the liquid pool height caused by thermocapillary-induced convection; and (3) gas-phase buoyant convection in the opposite direction to the liquid phase motion. No current model accounts for all three influences. In fact, prior to this work, there was no ability to determine whether ignition delay times and flame spread rates would be greater or lesser in low gravity. Flame spread over liquid fuel pools is most commonly characterized by the relationship of the initial pool temperature to the fuel's idealized flash point temperature, with four or five separate characteristic regimes having been identified. In the uniform spread regime, control has been attributed to: (1) gas-phase conduction and radiation; (2) gas-phase conduction only; (3) gas-phase convection and liquid conduction, and most recently (4) liquid convection ahead of the flame. Suggestions were made that the liquid convection was owed to both vuoyancy and thermocapillarity. Of special interest to this work is the determination of whether, and under what conditions, pulsating spread can and will occur in microgravity in the absence of buoyant flows in both phases. The approach we have taken to resolving the importance of buoyancy for these flames is: (1) normal gravity experiments and advanced diagnostics; (2) microgravity experiments; and (3) numerical modelling at arbitrary gravitational level.

Ross, Howard↗

Structural Modeling Using "Scanning and Mapping" Technique

Supported by NASA Glenn Center, we are in the process developing a structural damage diagnostic and monitoring system for rocket engines, which consists of five modules: Structural Modeling, Measurement Data Pre-Processor, Structural System Identification, Damage Detection Criterion, and Computer Visualization. The function of the system is to detect damage as it is incurred by the engine structures. The scientific principle to identify damage is to utilize the changes in the vibrational properties between the pre-damaged and post-damaged structures. The vibrational properties of the pre-damaged structure can be obtained based on an analytic computer model of the structure. Thus, as the first stage of the whole research plan, we currently focus on the first module - Structural Modeling. Three computer software packages are selected, and will be integrated for this purpose. They are PhotoModeler-Pro, AutoCAD-R14, and MSC/NASTRAN. AutoCAD is the most popular PC-CAD system currently available in the market. For our purpose, it plays like an interface to generate structural models of any particular engine parts or assembly, which is then passed to MSC/NASTRAN for extracting structural dynamic properties. Although AutoCAD is a powerful structural modeling tool, the complexity of engine components requires a further improvement in structural modeling techniques. We are working on a so-called "scanning and mapping" technique, which is a relatively new technique. The basic idea is to producing a full and accurate 3D structural model by tracing on multiple overlapping photographs taken from different angles. There is no need to input point positions, angles, distances or axes. Photographs can be taken by any types of cameras with different lenses. With the integration of such a modeling technique, the capability of structural modeling will be enhanced. The prototypes of any complex structural components will be produced by PhotoModeler first based on existing similar components, then passed to AutoCAD for modification and correction of any discrepancies seen in the Photomodeler version of the 3Dmodel. These three software packages are fully compatible. The DXF file can be used to transfer drawings among those packages. To begin this entire process, we are using a small replica of an actual engine blade as a test object. This paper introduces the accomplishment of our recent work.

Amos, Courtney L.↗

Effects of Injected Current Streams on MHD Equilibrium Reconstruction of Local Helicity Injection Plasmas in a Spherical Tokamak

Open field line currents are intrinsic to DC helicity injection plasma startup and pose a challenge for inferring the plasma equilibrium with standard reconstruction analysis. Local helicity injection (LHI) is a type of DC helicity injection which uses small, modular current sources to drive force-free current along helical field lines to produce tokamak plasmas. MHD modeling and magnetic measurements during LHI indicate the injected current streams remain coherent as helical structures on the outboard edge of a core toroidal plasma that is tokamak-like in a toroidally averaged sense. To extract core plasma equilibrium properties, external magnetic diagnostics corrected for contributions from the injected current streams are fitted by a standard Grad-Shafranov equilibrium code. An iterative approach for estimating and subtracting the stream contributions from the diagnostic signals is described and applied to a model equilibrium database to reduce systematic errors introduced by the streams. Convergence is usually attained with 2 to 4 iterations, with derived equilibrium parameters matching the prescribed axisymmetric core values to within estimated experimental uncertainties. Accurate recovery of core parameters occurs when the ratio of the net toroidal windup current from the streams to the core plasma current is less than 0.2, which is typically satisfied in most experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Operational seasonal and interannual predictions of ocean conditions

Dr. Leetmaa described current work at the U.S. National Meteorological Center (NMC) on coupled systems leading to a seasonal prediction system. He described the way in which ocean thermal data is quality controlled and used in a four dimensional data assimilation system. This consists of a statistical interpolation scheme, a primitive equation ocean general circulation model, and the atmospheric fluxes that are required to force this. This whole process generated dynamically consist thermohaline and velocity fields for the ocean. Currently routine weekly analyses are performed for the Atlantic and Pacific oceans. These analyses are used for ocean climate diagnostics and as initial conditions for coupled forecast models. Specific examples of output products were shown both in the Pacific and the Atlantic Ocean.

Leetmaa, Ants↗

Coronal magnetic field diagnostics via the Hanle effect of Lyman series lines

The magnetic field plays a major role in the physics of the solar corona. However, there are no direct measurements of this physical parameter. We describe a method that can provide the most direct determination of the vector magnetic field in the extended corona (i.e., at heliocentric heights between 1.2 R(solar radius) and 2.0 R(solar radius)). The method is based on polarimetric observations of UV lines of the Lyman series, that is, Lyman alpha (Ly-alpha), lambda 1216 A, Lyman beta (Ly-beta), lambda 1025 A, and Lyman gamma (Ly-gamma), lambda 972 A. These lines have a collisional and a resonantly scattered component. Linear polarization is induced in the resonant component by the anisotropy in the chromospheric radiation field that illuminates the corona. Magnetic fields can be suitably determined through the effects that they induce on this resonance polarization (Hanle effect). The Hanle effect of the Ly-alpha is sensitive to field strengths in the 10 - 100 gauss range. The resonance polarization of Ly-beta and Ly-gamma is sensitive, through the Hanle effect, to fields with strengths between 3 - 30 gauss, and 0.3 - 6 gauss, respectively. We describe a new method for separating the resonant from the collisional component of the Ly-beta and Ly-gamma; the method is based on the approximation, valid within 10%, that the collisional component of the Ly-alpha is negligible, in typical coronal conditions. From the intensity and the polarization of the resonant components of these Lyman lines, the strength and direction of coronal fields can be determined. We model the sensitivity of Hanle-effect diagnostics for different coronal structures (e.g., coronal holes and loops).

Fineschi, S.↗