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NASA NTRS2010

Constraining the Properties of the Eta Carinae System via 3-D SPH Models of Space-Based Observations: The Absolute Orientation of the Binary Orbit

The extremely massive (> 90 Solar Mass) and luminous (= 5 x 10(exp 6) Solar Luminosity) star Eta Carinae, with its spectacular bipolar "Homunculus" nebula, comprises one of the most remarkable and intensely observed stellar systems in the galaxy. However, many of its underlying physical parameters remain a mystery. Multiwavelength variations observed to occur every 5.54 years are interpreted as being due to the collision of a massive wind from the primary star with the fast, less dense wind of a hot companion star in a highly elliptical (e approx. 0.9) orbit. Using three-dimensional (3-D) Smoothed Particle Hydrodynamics (SPH) simulations of the binary wind-wind collision in Eta Car, together with radiative transfer codes, we compute synthetic spectral images of [Fe III] emission line structures and compare them to existing Hubble Space Telescope/Space Telescope Imaging Spectrograph (HST/STIS) observations. We are thus able, for the first time, to constrain the absolute orientation of the binary orbit on the sky. An orbit with an inclination of i approx. 40deg, an argument of periapsis omega approx. 255deg, and a projected orbital axis with a position angle of approx. 312deg east of north provides the best fit to the observations, implying that the orbital axis is closely aligned in 3-1) space with the Homunculus symmetry axis, and that the companion star orbits clockwise on the sky relative to the primary.

Madura, Thomas I.↗

NASA NTRS2011

Constraining the Properties of the Eta Carinae System via 3-D SPH Models of Space-Based Observations: The Absolute Orientation of the Binary Orbit

The extremely massive (> 90 Stellar Mass) and luminous (= 5 x 10(exp 6) Stellar Luminosity) star Eta Carinae, with its spectacular bipolar "Homunculus" nebula, comprises one of the most remarkable and intensely observed stellar systems in the Galaxy. However, many of its underlying physical parameters remain unknown. Multiwavelength variations observed to occur every 5.54 years are interpreted as being due to the collision of a massive wind from the primary star with the fast, less dense wind of a hot companion star in a highly elliptical (e approx. 0.9) orbit. Using three-dimensional (3-D) Smoothed Particle Hydrodynamics (SPH) simulations of the binary wind-wind collision, together with radiative transfer codes, we compute synthetic spectral images of [Fe III] emission line structures and compare them to existing Hubble Space Telescope/Space Telescope Imaging Spectrograph (HST/STIS) observations. We are thus able, for the first time, to tightly constrain the absolute orientation of the binary orbit on the sky. An orbit with an inclination of approx. 40deg, an argument of periapsis omega approx. 255deg, and a projected orbital axis with a position angle of approx. 312deg east of north provides the best fit to the observations, implying that the orbital axis is closely aligned in 3-D space with the Homunculus symmetry axis, and that the companion star orbits clockwise on the sky relative to the primary.

Madura, Thomas I.↗

NASA NTRS2014

Interpreting the Helioseismic and Magnetic Imager (HMI) Multi-Height Velocity Measurements

The Solar Dynamics Observatory Helioseismic and Magnetic Imager (SDOHMI) filtergrams, taken at six wavelengths around the Fe I 6173.3 Å line, contain information about the line-of-sight velocity over a range of heights in the solar atmosphere. Multiheight velocity inferences from these observations can be exploited to study wave motions and energy transport in the atmosphere. Using realistic convection-simulation datasets provided by the STAGGER and MURaM codes, we generate synthetic filtergrams and explore several methods for estimating Dopplergrams.We investigate at which height each synthetic Dopplergram correlates most strongly with the vertical velocity in the model atmospheres. On the basis of the investigation, we propose two Dopplergrams other than the standard HMI-algorithm Dopplergram produced from HMI filtergrams: a line-center Dopplergram and an average-wing Dopplergram. These two Dopplergrams correlate most strongly with vertical velocities at the heights of 30 40 km above (line center) and 30 40 km below (average wing) the effective height of the HMI-algorithm Dopplergram. Therefore, we can obtain velocity information from two layers separated by about a half of a scale height in the atmosphere, at best. The phase shifts between these multi-height Dopplergrams from observational data as well as those from the simulated data are also consistent with the height-difference estimates in the frequency range above the photospheric acoustic-cutoff frequency.

velocity fields↗

NASA NTRS2007

Simulation of a Synthetic Jet in Quiescent Air Using TLNS3D Flow Code

Although the actuator geometry is highly three-dimensional, the outer flowfield is nominally two-dimensional because of the high aspect ratio of the rectangular slot. For the present study, this configuration is modeled as a two-dimensional problem. A multi-block structured grid available at the CFDVAL2004 website is used as a baseline grid. The periodic motion of the diaphragm is simulated by specifying a sinusoidal velocity at the diaphragm surface with a frequency of 450 Hz, corresponding to the experimental setup. The amplitude is chosen so that the maximum Mach number at the jet exit is approximately 0.1, to replicate the experimental conditions. At the solid walls zero slip, zero injection, adiabatic temperature and zero pressure gradient conditions are imposed. In the external region, symmetry conditions are imposed on the side (vertical) boundaries and far-field conditions are imposed on the top boundary. A nominal free-stream Mach number of 0.001 is imposed in the free stream to simulate incompressible flow conditions in the TLNS3D code, which solves compressible flow equations. The code was run in unsteady (URANS) mode until the periodicity was established. The time-mean quantities were obtained by running the code for at least another 15 periods and averaging the flow quantities over these periods. The phase-locked average of flow quantities were assumed to be coincident with their values during the last full time period.

Vatsa, Veer N.↗

DOE OSTI2026

Field and Model Data Associated with the Manuscript “Drivers of Streamflow Intermittency in Humid Regions: 1. Evaluating Above- and Below-ground Controls of Flow Persistence in a Forested Catchment”

This package contains field data, modeling files, and scripts supporting the investigation of the drivers of streamflow intermittency in a forested catchment. It includes the field data collected from electrical resistivity tomography (ERT) surveys, ground penetrating radar (GPR), continuous self-potential (SP) monitoring, electromagnetic (EM) imaging, groundwater and stilling well. In addition, it contains the data and results of the coupled water- and electrical-flow model developed using the COMSOL Multiphysics and Advanced Terrestrial Simulator (ATS), as well as software files and Jupyter notebooks used to process the data and generate figures in the manuscript submitted for peer review. The data archive is organized in the following directories: 1) Climate Includes hourly precipitation and daily evapotranspiration time series (2024 – 2025) provided as CSV files, alongside a text file detailing dataset units. 2) Coupled_model Contains two subfolders: Synthetic and Field_Application subfolder. Synthetic subfolder contains the ATS XML input script (can be opened using any code editor) for the four synthetic hydrological cases tested (Connected and gaining, Connected and losing, Disconnected and losing, and dry stream). It also includes other experimental cases to test the influence of precipitation and concentration gradient. For each synthetic case, the flow model simulation is executed using the ATS XML scripts and the included Python script (generate_data_set.py) to convert ATS output to COMSOL-ready input. COMSOL Multiphysics template (.mph can be opened with the commercial software COMSOL and requires a license) is executed using the ATS output data to simulate the potential field. It also includes the Synthetic_model_plot.ipynb (can be opened using any code editor) to visualize the SP result and generate manuscript figures. The data subfolder contains mesh files to run both the ATS (.exo and .stl files can be viewed using Paraview; .h5 files can be opened using HDFView software and h5py Python package) and COMSOL models. Field_Application subfolder contains two subfolders: ES_MDA_inversion and Final_Model. ES_MDA_inversion contains the Python script (.py can be opened using any code editor) and SP observation data used to run the Ensemble Smoother with Multiple Data Assimilation (ES-MDA) inversion sequence to get the optimal model parameters. The Final_model subfolder contains the ATS XML input scripts, data files, output data for the two SP sites. The same workflow steps outlined for the Synthetic subfolder apply here. It also contains the Jupyter notebook (Plot_final_calib.ipynb) to visualize the results of the modeled SP, stream-groundwater exchange and moisture content. 3) Discharge Includes the electrical conductivity (EC) time series (provided as CSV files) from salt slug injections. It also includes the Jupyter notebook (Discharge_process.ipynyb) used to estimate discharge. All discharge measurements collated into rating_curve_processed.csv 4) EM Contains the CSV file of the EM data from the DUALEM-42, including spatial coordinates (x, y, z), apparent conductivity, and in-phase measurements at 2 m coil separations for horizontal coplanar (HCP) and perpendicular (PRP) geometries. 5) ERT Contains raw resistivity data (provided as CSV files), spatial location of each of the electrodes (provided as CSV files), and files used for the resistivity inversion (.resipy can be opened with the open-source ResIPy software). 6) GPR Includes GPR field datasets collected at 100 MHz and 250 MHz antenna frequencies, along with the processing/interpretation project file (GPR_process.gpz can be viewed using EKKO_Project 6, a commercial software by Sensors & Software that requires a license). 7) Slug_test Includes the slug test data at all the groundwater wells provided as CSV files, as well as the Jupyter notebook (Slug_test.ipynb) for calculating hydraulic conductivity. 8) SP Contains the SP data collected in field at the two SP sites (one in the perennial reach and the other in the intermittent reach), provided as DAT files. 9) Well_data Contains two subfolders: 1) Raw, which provides unprocessed pressure, electrical conductivity and temperature timeseries downloaded from the loggers in all the groundwater and stilling wells, and 2) Processed, which contains sorted, QA/QC timeseries data for each well. The data archive also contains data_process.ipynb, a Jupyter notebook used for field data analysis and generating figures (plotting well, SP, climate, and discharge data, as well as calculating head gradient at sites with nested groundwater wells). It also includes DTW.ipynb, a Jupyter notebook containing the code for the dynamic time warping (DTW) with sliding window to evaluate SP signal synchronicity.

ATS↗

DOE OSTI2023

Monte Carlo Radiation Transport for Astrophysical Transients Powered by Circumstellar Interaction

In this paper, we introduce SuperLite, an open-source Monte Carlo radiation transport code designed to produce synthetic spectra for astrophysical transient phenomena affected by circumstellar interaction. SuperLite utilizes Monte Carlo methods for semi-implicit, semirelativistic radiation transport in high-velocity shocked outflows, employing multigroup structured opacity calculations. The code enables rapid post-processing of hydrodynamic profiles to generate high-quality spectra that can be compared with observations of transient events, including superluminous supernovae, pulsational pair-instability supernovae, and other peculiar transients. We present the methods employed in SuperLite and compare the code's performance to that of other radiative transport codes, such as SuperNu and CMFGEN. We show that SuperLite has successfully passed standard Monte Carlo radiation transport tests and can reproduce spectra of typical supernovae of Type Ia, Type IIP, and Type IIn.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2017

Cyclotron Resonant Scattering Feature Simulations II. Description of the CRSF Simulation Process

Context. Cyclotron resonant scattering features (CRSFs) are formed by scattering of X-ray photons o_ quantized plasma electrons in the strong magnetic field (of the order 1012 G) close to the surface of an accreting X-ray pulsar. Due to the complex scattering cross-sections, the line profiles of CRSFs cannot be described by an analytic expression. Numerical methods, such as Monte Carlo (MC) simulations of the scattering processes, are required in order to predict precise line shapes for a given physical setup, which can be compared to observations to gain information about the underlying physics in these systems.Aims. A versatile simulation code is needed for the generation of synthetic cyclotron lines. Sophisticated geometries should be investigatable by making their simulation possible for the first time.Methods. The simulation utilizes the mean free path tables described in the first paper of this series for the fast interpolation of propagation lengths. The code is parallelized to make the very time-consuming simulations possible on convenient time scales. Furthermore, it can generate responses to monoenergetic photon injections, producing Green's functions, which can be used later to generate spectra for arbitrary continua.Results. We develop a new simulation code to generate synthetic cyclotron lines for complex scenarios, allowing for unprecedented physical interpretation of the observed data. An associated XSPEC model implementation is used to fit synthetic line profiles to NuSTAR data of Cep X-4. The code has been developed with the main goal of overcoming previous geometrical constraints in MC simulations of CRSFs. By applying this code also to more simple, classic geometries used in previous works, we furthermore address issues of code verification and cross-comparison of various models. The XSPEC model and the Green's function tables are available online (see link in footnote, page 1).

Schwarm, F.-W.↗

NASA NTRS2021

Constraining the Neutron Star Mass–Radius Relation and Dense Matter Equation of State with NICER. III. Model Description and Verification of Parameter Estimation Codes

We describe the X-ray pulse profile models we use and how we use them to analyze Neutron Star Interior Composition Explorer(NICER)observations of rotation-powered millisecond pulsars to obtain information about the mass–radius relation of neutron stars and the equation of state of the dense matter in their cores. Here we detail our modeling of the observed profile of PSR J0030+0451 that we analyzed in Miller et al. and Riley et al. and describe a cross-verification of computations of the pulse profiles of a star with R/M 3, in case stars this compact need to be considered in future analyses. We also present our early cross-verification efforts of the parameter estimation procedures used by Miller et al. and Riley et al. by analyzing two distinct synthetic data sets. Both codes yielded credible regions in the mass–radius plane that are statistically consistent with one another, and both gave posterior distributions for model parameter values consistent with the values that were used to generate the data. We also summarize the additional tests of the parameter estimation procedure of Miller et al. that used synthetic pulse profiles and the NICER pulse profile of PSR J0030+0451. We then illustrate how the precision of mass and radius estimates depends on the pulsar’s spin rate and the size of its hot spot by analyzing four different synthetic pulse profiles. Finally, we assess possible sources of systematic error in the estimates made using this technique, some of which may warrant further investigation.

Slavko Bogdanov↗

DOE OSTI2022

Details of the neutral energy distribution and ionization source using spectrally resolved Balmer-alpha measurements on DIII-D

Spectrally resolved passive Balmer- α (D- α, H- α) measurements from the DIII-D 16 channel edge main-ion charge exchange recombination system confirm the presence of higher energy neutrals (“thermal” neutrals) in addition to the cold neutrals that recycle off the walls in the edge region of DIII-D plasmas. Charge exchange between thermal ions and edge neutrals transfers energy and momentum between the populations giving rise to thermal neutrals with energies approximating the ions in the pedestal region. Multiple charge exchange events in succession allow an electron to effectively take a random walk, transferring from ion to ion, providing a pathway of increasing energy and velocity, permitting a neutral to get deeper into the plasma before a final ionization event that contributes to the ion and electron particle fueling. Spectrally resolved measurements provide information about the density and velocity distribution of these neutrals, which has been historically valuable for validating Monte Carlo neutral models, which include the multi stage charge exchange dynamics. Here, in this study, a multi-channel set of such measurements is used to specifically isolate the details of the thermal neutrals that are responsible for fueling inside the pedestal top. Being able to separate the thermal from the cold emission overcomes several challenges associated with optical filter-based neutral density measurements. The neutral dynamics, deeper fueling by the thermal neutrals, and spectral measurement are modeled with the FIDASIM Monte Carlo collisional radiative code, which also produces synthetic spectra with a shape that is in close agreement with the measurements. By scaling the number of neutrals in the simulation to match the intensity of the thermal emission, we show it is possible to obtain local neutral densities and ionization source rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1990

Modeling the ultraviolet photospheric spectrum of cool giant stars. I - Arcturus. II - Gamma Crucis

The UV photospheric spectra of cool giants are modeled analytically to facilitate the identification of UV spectral features and aid in the measurement of actual chromospheric flux at different wavelengths. Atomic line data derived experimentally and semiempirically are used with LTE model atmospheres by means of the SYNTHE FORTRAN code to generate the synthetic spectra. Surface flux spectra are determined and fitted to the absorption features of observed IUE high resolution spectra, and the modeled results are compared to the observed spectra of the cool giants Arcturus and the cooler Gamma Crucis. It is shown that the synthetic spectra can be produced for the stars, and chromospheric emission lines are thought to account for significant discrepancies between observed and calculated values. Two new fluorescence mechanisms are identified by modeling the ultraviolet photospheric spectrum of Gamma Crucis.

Carpenter, Kenneth G.↗

NASA NTRS1991

Macromolecular recognition: Structural aspects of the origin of the genetic system

Theoretical simulation of prebiotic chemical processes is an invaluable tool for probing the phenomenon of evolution of life. Using computational and modeling techniques and guided by analogies from present day systems we, seek to understand the emergence of genetic apparatus, enzymatic catalysis and protein synthesis under prebiotic conditions. In one possible scenario, the RNA enzymatic reaction plays a key role in the emergence of the self-replicating and offers a clue to the onset of enzymatic catalysis prior to the existence of the protein biosynthetic machinery. Our ultimate goal is to propose a simple RNA segment which contains the specificity and catalytic activity of the contemporary RNA enzyme and which could emerge in a primordial chemical environment. To understand the mechanism of ribozyme catalyzed reactions, ab initio and semi-empirical (ZINDO) programs were used to investigate the reaction path of transphosphorylation. A special emphasis was placed on the possible catalytic and structural roles played by the coordinated magnesium cation. Both the inline and adjacent mechanisms of transphosphorylation have been studied. Another important aspect of this reaction is the identity of the functional groups which are essential for the acid base catalysis. The structural characteristics of the target helices, particularly a possible role of G center dot T pair, is under examination by molecular dynamics (MD) simulation technique. Modeling of the ancestral aminoacyl-tRNA synthetases (aRS) may provide important clues to the emergence of the genetic code and the protein synthetic machinery. Assuming that the catalytic function evolved before the elements of specific recognition of a particular amino acid, we are exploring the minimal structural requirements for the catalysis of tRNA aminoacylation. The molecular modeling system SYBYL was used for this study based on the high resolution crystallographic structures of the present day tyrosyl-adenylate:tyrRS and tRNA(Gln): ATP:glnRS complexes. The trinucleotide CCA of the 3'-end tRNA is placed into the active site pocket of tyrRS, based on the scheme of interaction between tRNA(Gln) and glnRS, and upon the stereochemistry of the tyrRS:tRNA:Tyr-AMP transition state. This provides a model of the non-specific recognition of a tRNA's 3'-end by an aRS, which might be similar to that of the ancestral aRS's. In the next step, modeling of the rest of the acceptor stem of tRNA (Tyr) with tyrRS is carried out.

Rein, Robert↗

NASA NTRS1991

Macromolecular recognition: Structural aspects of the origin of the genetic system

Theoretical simulation of prebiotic chemical processes is an invaluable tool for probing the phenomenon of the evolution of life. Using computational and modeling techniques and guided by analogies from present day systems, we seek to understand the emergence of the genetic apparatus, enzymatic catalysis and protein synthesis under prebiotic conditions. Modeling of the ancestral aminoacyl-tRNA-synthetases (aRS) may provide important clues to the emergence of the genetic code and the protein synthetic machinery. The minimal structural requirements for the catalysis of tRNA aminoacylation are being explored. A formation of an aminoacyl adenylate was studied in the framework of ab initio molecular orbital theory. The role of individual residues in the vicinity of the TyrRS active site was examined, and the effect of all possible amino acids substitutions near the active site was examined. A formation of aminoacyl tRNA was studied by the molecular modeling system SYBYL with the high resolution crystallographic structures of the present day tRNA, aRS's complexes. The ultimate goal is to propose a simple RNA segment that is small enough to be build in the primordial chemical environment but maintains the specificity and catalytic activity of the contemporary RNA enzyme. To understand the mechanism of ribozyme catalyzed reactions, ab initio and semi-empirical (ZINDO) programs were used to investigate the reaction path of transphosphorylation. A special emphasis was placed on the possible catalytic and structural roles played by the coordinated magnesium cation. Both the inline and adjacent mechanisms of transphosphorylation were studied. The structural characteristics of the target helices, particularly a possible role for the G-T pair, is also studied by a molecular dynamics (MD) simulation technique.

Rein, Robert↗

NASA NTRS1993

V803 Aquilae: A newborn W Ursae Majoris Siamese twin?

A complete photometric analysis of BVRI photometry of the physically compact, eclipsing binary V803 Aquilae is presented. Six mean epochs of minimum light were determined from observations covering three primary and three secondary eclipses. A period study covering 54 years of observation or nearly 77,000 orbital revolutions reveals three distinct eras of constant period with two major period jumps of +0.1 s and -0.3 s. The light curves shows that the primary and secondary eclipse depths are identical in V, and are nearly identical in B, R, and I, indicating that the components have nearly the same temperatures. Standard magnitudes were determined and a reddening estimate was made. A simultaneous solution of the four light curves was computed using the Wilson-Devinney synthetic light-curve code. The solution indicates that the system consists of twin approximately K4 stars in shallow contact with a fill-out of approximately 8%. A mass ratio of 1.000 was computed with a negligible temperature difference of only 6 K. Thus, based on our purely photometric solution, V803 Aql is made up of 'Siamese' (contact) twin components. Theory would indicate that the twins have just recently come into contact, and the lack of other equal-mass W Ursae Majoris systems would indicate that it is in a very transient or unusual state.

Samec, Ronald G.↗

NASA NTRS2005

Radiative Studies of Planetary Atmospheres

Retrieval algorithms and associated software for application to CIRS infrared spectral data have been developed and coded. A general forward radiative transfer code has been written that runs efficiently on a Macintosh, even at high spectral resolution (0.5 per centimeter). It makes use of the correlated-k approach for representation of the gaseous absorption and can include those gases listed in the HITRAN and GEISA atlases, along with collision-induced absorption. Cloud effects are included as spectrally dependent absorbers. Provision has been made for future extension to include particle scattering in an n-stream approximation. The primary purpose of the code is to produce synthetic data and to serve as the forward calculating element in gas and cloud retrieval programs developed for the Mac as well as other platforms. Initial development of algorithms and production software suitable for application to CIRS data to be obtained from Jupiter, Saturn and Titan has been completed, and production versions of the software for application to the spectral data are in place. This includes temperature, gaseous constituent, and cloud opacity retrieval, algorithms that can be applied to both nadir and limb data. This work has been done as a cooperative effort between Conrath and Matcheva (Cornell), Achterberg (GSFWSSAI), and Flasar (GSFC).

Conrath, Barney J.↗

NASA NTRSDate not supplied

Modeling of Multiscale Solar Dynamics for Understanding Drivers of Space Weather

Understanding the solar dynamics is critical for improving our capabilities to forecast the evolution of space weather conditions. We take advantage of currently available computational capabilities to model solar dynamics from the deep interior to the corona and investigate mechanisms that may drive space weather conditions. The simulations are performed using the 3D radiative MHD code StellarBox. Comparison of synthetic spectroscopic observables obtained from numerical simulations and actual observations allows us to uncover physical processes associated with observed phenomena. To facilitate a transition from modeling short-term physical phenomena to developing a reliable forecast-oriented model, we suggest using the data assimilation approach. It allows us to cross-analyze dynamo model solutions and observations and to consider possible uncertainties and errors. In this presentation, we briefly summarize current multi-scale modeling capabilities and results and discuss ongoing developments to build a reliable physics-based forecast-oriented model of solar activity.

Irina N Kitiashvili↗

NASA NTRSDate not supplied

Modeling of Multiscale Solar Dynamics for Understanding Drivers of Space Weather

Irina N Kitiashvili↗

NASA NTRSDate not supplied

Modeling of Multiscale Solar Dynamics for Understanding Drivers of Space Weather

Irina N. Kitiashvili↗

NASA NTRS2012

Comparative Modelling of the Spectra of Cool Giants

Our ability to extract information from the spectra of stars depends on reliable models of stellar atmospheres and appropriate techniques for spectral synthesis. Various model codes and strategies for the analysis of stellar spectra are available today. Aims. We aim to compare the results of deriving stellar parameters using different atmosphere models and different analysis strategies. The focus is set on high-resolution spectroscopy of cool giant stars. Methods. Spectra representing four cool giant stars were made available to various groups and individuals working in the area of spectral synthesis, asking them to derive stellar parameters from the data provided. The results were discussed at a workshop in Vienna in 2010. Most of the major codes currently used in the astronomical community for analyses of stellar spectra were included in this experiment. Results. We present the results from the different groups, as well as an additional experiment comparing the synthetic spectra produced by various codes for a given set of stellar parameters. Similarities and differences of the results are discussed. Conclusions. Several valid approaches to analyze a given spectrum of a star result in quite a wide range of solutions. The main causes for the differences in parameters derived by different groups seem to lie in the physical input data and in the details of the analysis method. This clearly shows how far from a definitive abundance analysis we still are.

stars↗