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NASA NTRS2006

Computational Spectroscopy of Polycyclic Aromatic Hydrocarbons In Support of Laboratory Astrophysics

Polycyclic aromatic hydrocarbons (PAHs) are strong candidates for the molecular carriers of the unidentified infrared bands (UIR) and the diffuse interstellar bands (DIBs). In order to test the PAH hypothesis, we have systematically measured the vibronic spectra of a number of jet-cooled neutral and ionized PAHs in the near ultraviolet (UV) to visible spectral ranges using the cavity ring-down spectroscopy. To support this experimental effort, we have carried out theoretical studies of the spectra obtained in our measurements. Ab initio and (time-dependent) density.functiona1 theory calculations are performed to obtain the geometries, energetics, vibrational frequencies, transition dipole moments, and normal coordinates of these PAH molecules. Franck-Condon (FC) calculations and/or vibronic calculations are then performed using the calculated normal coordinates and vibrational frequencies to simulate the vibronic spectra. It is found that vibronic interactions in these conjugated pi electron systems are often strong enough to cause significant deviations from the Born-Oppenheimer (BO) approximation. For vibronic transitions that are well described by the BO approximation, the vibronic band profiles are simulated by calculating the rotational structure of the vibronic transitions. Vibronic oscillator strength factors are calculated in the frame of the FC approximation from the electronic transition dipole moments and the FC factors. This computational effort together with our experimental measurements provides, for the first time, powerful tools for comparison with space-based data and, hence, a powerful approach to understand the spectroscopy of interstellar PAH analogs and the nature of the UIR and DIBs.

Tan, Xiaofeng↗

NASA NTRS2006

Targeting Inaccurate Atomic Data in the Eta Car Ejecta Absorption

The input from the laboratory spectroscopist community has on many occasions helped the analysis of the eta Car spectrum. Our analysis has targeted spectra where improved wavelengths and oscillator strengths are needed. We will demonstrate how experimentally derived atomic data have improved our spectral analysis, and illuminate where more work still is needed.

Nielsen, K. E.↗

NASA NTRS2006

NASA Laboratory Astrophysics Workshop 2006 Introductory Remarks

NASA Laboratory Astrophysics Workshop 2006, is the fourth in a series of workshops held at four year intervals, to assess the laboratory needs of NASA's astrophysics missions - past, current and future. Investigators who need laboratory data to interpret their observations from space missions, theorists and modelers, experimentalists who produce the data, and scientists who compile databases have an opportunity to exchange ideas and understand each other's needs and limitations. The multi-wavelength character of these workshops allows cross-fertilization of ideas, raises awareness in the scientific community of the rapid advances in other fields, and the challenges it faces in prioritizing its laboratory needs in a tight budget environment. Currently, we are in the golden age of Space Astronomy, with three of NASA s Great Observatories, Hubble Space Telescope (HST), Chandra X-Ray Observatory (CXO), and Spitzer Space Telescope (SST), in operation and providing astronomers and opportunity to perform synergistic observations. In addition, the Far Ultraviolet Spectroscopic Explorer (FUSE), XMM-Newton, HETE-2, Galaxy Evolution Explorer (GALEX), INTEGRAL and Wilkinson Microwave Anisotropy Probe (WMAP), are operating in an extended phase, while Swift and Suzaku are in their prime phase of operations. The wealth of data from these missions is stretching the Laboratory Astrophysics program to its limits. Missions in the future, which also need such data include the James Webb Space Telescope (JWST), Space Interferometry Mission (SIM), Constellation-X (Con-X), Herschel, and Planck. The interpretation of spectroscopic data from these missions requires knowledge of atomic and molecular parameters such as transition probabilities, f-values, oscillator strengths, excitation cross sections, collision strengths, which have either to be measured in the laboratory by simulating space plasma and interactions therein, or by theoretical calculations and modeling. Once the laboratory data are obtained, a key step to making them available to the observer is the creation and maintenance of critically compiled databases. Other areas of study, that are important for understanding planet formation, and for detection of molecules that are indicators of life, are also supported by the Laboratory Astrophysics program. Some examples are: studies of ices and dust grains in a space environment; nature and evolution of interstellar carbon-rich dust; and polycyclic aromatic hydrocarbons. In addition, the program provides an opportunity for the investigation of novel ideas, such as simulating radiative shock instabilities in plasmas, in order to understand jets observed in space. A snapshot of the currently funded program, mission needs, and relevance of laboratory data to interpreting observations, will be obtained at this workshop through invited and contributed talks and poster papers. These will form the basis for discussions in splinter groups. The Science Organization Committee will integrate the results of the discussions into a coherent White Paper, which will provide guidance to NASA in structuring the Laboratory Astrophysics program in subsequent years, and also to the scientific community in submitting research proposals to NASA for funding.

Hasan, Hashima↗

NASA NTRS2006

New Measurements of Doubly Ionized Iron Group Spectra by High Resolution Fourier Transform and Grating Spectroscopy

We report new measurements of doubly ionized iron group element spectra, important in the analysis of B-type (hot) stars whose spectra they dominate. These measurements include Co III and Cr III taken with the Imperial College VUV Fourier transform (FT) spectrometer and measurements of Co III taken with the normal incidence vacuum spectrograph at NIST, below 135 nm. We report new Fe III grating spectra measurements to complement our FT spectra. Work towards transition wavelengths, energy levels and branching ratios (which, combined with lifetimes, produce oscillator strengths) for these ions is underway.

Smillie, D. G.↗

NASA NTRS2008

The Effects of Clumping on Wind Line Variability

We review the effects of clumping on the profiles of resonance doublets. By allowing the ratio of the doublet oscillator strengths to be a free parameter, we demonstrate that doublet profiles contain more information than is normally utilized. In clumped (or porous) winds, this ratio can lie between unity and the ratio of the f-values, and can change as a function of velocity and time, depending on the fraction of the stellar disk that is covered by material moving at a particular velocity at a given moment. Using these insights, we present the results of SEI modeling of a sample of B supergiants, sigma Pup and a time series for a star whose terminal velocity is low enough to make the components of its Si VI lambda lambda 1400 independent. These results are interpreted within the framework of the Oskinova et al. (2007) model, and demonstrate how the doublet profiles can be used to extract information about wind structure.

Prinja, R. K.↗

NASA NTRS2009

186 K Operation of Terahertz Quantum-Cascade Lasers Based on a Diagonal Design

Resonant-phonon terahertz quantum-cascade lasers operating up to a heat-sink temperature of 186 K are demonstrated. This record temperature performance is achieved based on a diagonal design, with the objective to increase the upper-state lifetime and therefore the gain at elevated temperatures. The increased diagonality also lowers the operating current densities by limiting the flow of parasitic leakage current. Quantitatively, the diagonality is characterized by a radiative oscillator strength that is smaller by a factor of two from the least of any previously published designs. At the lasing frequency of 3.9 THz, 63 mW of peak optical power was measured at 5 K, and approximately 5 mW could still be detected at 180 K.

Kumar, Sushil↗

NASA NTRS2013

A Comprehensive X-Ray Absorption Model for Atomic Oxygen

An analytical formula is developed to accurately represent the photoabsorption cross section of atomic Oxygen for all energies of interest in X-ray spectral modeling. In the vicinity of the K edge, a Rydberg series expression is used to fit R-matrix results, including important orbital relaxation effects, that accurately predict the absorption oscillator strengths below threshold and merge consistently and continuously to the above-threshold cross section. Further, minor adjustments are made to the threshold energies in order to reliably align the atomic Rydberg resonances after consideration of both experimental and observed line positions. At energies far below or above the K-edge region, the formulation is based on both outer- and inner-shell direct photoionization, including significant shake-up and shake-off processes that result in photoionization-excitation and double-photoionization contributions to the total cross section. The ultimate purpose for developing a definitive model for oxygen absorption is to resolve standing discrepancies between the astronomically observed and laboratory-measured line positions, and between the inferred atomic and molecular oxygen abundances in the interstellar medium from XSTAR and SPEX spectral models.

supernova remnants↗

NASA NTRS2015

The Prospective Search for Highly Ionized Technetium in Hot (pre-) White Dwarfs

The discovery of technetium (Tc) in the atmospheres of red giants by Merrill (1952, ApJ, 116, 21) constituted convincing proof that s-process nucleosynthesis is indeed occurring in evolved stars. In principle, Tc should still be present in the atmospheres of hot post-AGB stars and (pre-) white dwarfs although, due to radioactive decay, it should be present in decreasing quantities along post-AGB evolution. The recent discovery of a large number of trans-iron group elements in hot white dwarfs with atomic numbers in the range A = 30-56 (Zn to Ba) raises the prospect that Tc (A = 43) may also be detected. However, this is currently not feasible because no atomic data exist for ionization stages beyond Tc ii. As an initial step, we calculated atomic energy levels and oscillator strengths of Tc iv-vi and used these data to compute non-local thermodynamic equilibrium (NLTE) model atmospheres to estimate at which minimum abundance level Tc could be detected. We show that Tc lines can be found in ultraviolet spectra of hot white dwarfs provided Tc is as abundant as other detected trans-Fe elements. We find that radiative levitation can keep Tc in large, easily detectable quantities in the atmosphere. A direct identification of Tc lines is still not feasible because wavelength positions cannot be computed with necessary precision. Laboratory measurements are necessary to overcome this problem. Our results suggest that such efforts are beneficial to the astrophysical community.

prospective↗

NASA NTRS2025

Line List for the A 2 Π−X 2 Σ + and the B 2 Σ + −X 2 Σ + Band Systems of CaF

The spectral analysis of molecule-rich asymptotic giant branch (AGB) stars is challenging. Although other calcium and fluorine bearing molecules are observed in the microwave and in the visible spectrum of AGB stars, CaF has never been detected, despite favorable chemical equilibrium predictions. Yet, measuring the CaF abundance could give more insight into the fluorine budget of AGB stars and allow better simulation of stellar spectra. In this work, we present an analysis of the visible spectrum of CaF obtained with a Fourier transform spectrometer. CaF A 2 Π−X 2 Σ + and the B 2 Σ + −X 2 Σ + band systems were excited with a hollow cathode discharge. Using previous fluorescence spectroscopy measurements, highly accurate ground state constants, and reasonable extrapolation schemes, the strongest features of CaF in the visible spectrum can be accurately modeled for both band systems. Spectroscopic constants are determined for A 2 Π with v ≤ 16 and for B 2 Σ + with v ≤ 20. Ab initio transition dipole moment curves of both transitions were calculated and scaled, and we provide a line list with Einstein A coefficients and oscillator strengths. This line list can be used to simulate spectra of CaF at temperatures and pressures relevant to astrophysical environments.

Léo Lavy↗

NASA NTRS1994

Ignition dynamics of a laminar diffusion flame in the field of a vortex embedded in a shear flow

The role of streamwise-spanwise vorticity interactions that occur in turbulent shear flows on flame/vortex interactions is examined by means of asymptotic analysis and numerical simulation in the limit of small Mach number. An idealized model is employed to describe the interaction process. The model consists of a one-step, irreversible Arrhenius reaction between initially unmixed species occupying adjacent half-planes which are then allowed to mix and react in the presence of a streamwise vortex embedded in a shear flow. It is found that the interaction of the streamwise vortex with shear gives rise to small-scale velocity oscillations which increase in magnitude with shear strength. These oscillations give rise to regions of strong temperature gradients via viscous heating, which can lead to multiple ignition points and substantially decrease ignition times. The evolution in time of the temperature and mass-fraction fields is followed, and emphasis is placed on the ignition time and structure as a function of vortex and shear strength.

Macaraeg, Michele G.↗

NASA NTRS1991

Euler calculations of unsteady transonic flow in cascades

In the present paper, Euler calculations of unsteady transonic flow in cascades are presented. A finite volume scheme is used to discretize the equations, which are implemented on a blade-fitted deformable mesh. The space-discretized equations are integrated forward in time using a multistage Runge-Kutta scheme. Adaptive dissipation terms of the type proposed by Jameson and Baker are added to capture shocks and to suppress nonphysical oscillations. Phase-shifted boundary conditions are used to reduce the computational domain to a single reference passage. No assumptions of small amplitudes or small flow deflections are made. Thus, the present code makes it possible to carry out aeroelastic calculations for cases where the shock strengths and oscillation amplitudes exceed the inherent limitations of potential flow codes.

Bendiksen, Oddvar O.↗

NASA NTRS1998

Turbulent Compressible Convection with Rotation: Mean Flows and Differential Rotation - 2

The effects of rotation on turbulent, compressible convection within stellar envelopes are studied through three-dimensional numerical simulations conducted within a local f-plane model. This work seeks to understand the types of differential rotation that can be established in convective envelopes of stars like the Sun, for which recent helioseismic observations suggest an angular velocity profile with depth and latitude at variance with many theoretical predictions. This paper analyzes the mechanisms that are responsible for the mean (horizontally averaged) zonal and meridional flows that are produced by convection influenced by Coriolis forces. The compressible convection is considered for a range of Rayleigh, Taylor, and Prandtl (and thus Rossby) numbers encompassing both laminar and turbulent flow conditions under weak and strong rotational constraints. When the nonlinearities are moderate, the effects of rotation on the resulting laminar cellular convection leads to distinctive tilts of the cell boundaries away from the vertical. These yield correlations between vertical and horizontal motions that generate Reynolds stresses that can drive mean flows, interpretable as differential rotation and meridional circulations. Under more vigorous forcing, the resulting turbulent convection involves complicated and contorted fluid particle trajectories, with few clear correlations between vertical and horizontal motions, punctuated by an evolving and intricate downflow network that can extend over much of the depth of the layer. Within such networks are some coherent structures of vortical downflow that tend to align with the rotation axis. These yield a novel turbulent alignment mechanism, distinct from the laminar tilting of cellular boundaries, that can provide the principal correlated motions and thus Reynolds stresses and subsequently mean flows. The emergence of such coherent structures that can persist amidst more random motions is a characteristic of turbulence with symmetries broken by rotation and stratification. Such structure is here found to play a crucial role in defining the mean zonal and meridional flows that coexist with the convection. Though they are subject to strong inertial oscillations, the strength and type of the mean flows are determined by a combination of the laminar tilting and the turbulent alignment mechanisms. Varying the parameters produces a wide range of mean motions. Among these, some turbulent solutions exhibit a mean zonal velocity profile that is nearly constant with depth, much as deduced by helioseismology at midlatitudes within the Sun. The solutions exhibit a definite handedness, with the direction of the persistent mean flows often prescribing a spiral with depth near the boundaries, also in accord with helioseismic deductions. The mean helicity has a profile that is positive in the upper portion of the domain and negative in the lower portion, a property bearing on magnetic dynamo processes that may be realized within such rotating layers of turbulent convection.

Brummell, Nicholas H.↗

NASA NTRSDate not supplied

Transonic Limit Cycle Oscillations of the Benchmark Supercritical Wing

This paper considers transonic flutter mechanisms of the Benchmark Supercritical Wing, a model under study in the Aeroelastic Prediction Workshop series. Flutter boundaries are mapped out across an angle of attack sweep at Mach 0.8, utilizing both time-domain and linearized frequency-domain solvers, manual meshes and adapted meshes, and various governing equations. With increased angle of attack, linearized and finite amplitude flutter predictions exhibit differences above 3◦ as the flow begins to separate; the latter predictions are found to be driven by subcritical limit cycle oscillations whose strength increases with angle of attack. Moderate perturbation values provide a stability boundary at 5◦ which matches the experimental data, but it is not clear how the experimental perturbation, from one test condition to the next, can be reasonably characterized.

Bret Stanford↗

NASA NTRS1987

Optical bistability in self-pumped phase-conjugate ring resonators

Bistable oscillations have been observed in BaTiO3 pumped by a single-mode 30-mW (488-nm) argon-ion laser, which is used simultaneously as a ring passive phase conjugator (RPPC) and as a unidirectional ring resonator (UDRR). Strong oscillations in the UDRR increase the threshold coupling strength required for oscillation in the RPPC. The oscillations in the RPPC reduce the fanning in the crystal necessary for the startup of oscillation in the UDRR. Auxiliary resonators pumped by the RPPC are also bistable with the UDRR. Similar bistable oscillations have been observed when the crystal is used simultaneously as a RPPC and as a linear passive phase conjugator.

Jagannath, H.↗

NASA NTRS2010

QBO Influence on Polar Stratospheric Variability in the GEOS Chemistry-Climate Model

The quasi-biennial oscillation modulates the strength of both the Arctic and Antarctic stratospheric vortices. Model and observational studies have found that the phase and characteristics of the quasi-biennial oscillation (QBO) contribute to the high degree of variability in the Arctic stratosphere in winter. While the Antarctic stratosphere is less variable, recent work has shown that Southern Hemisphere planetary wave driving increases in response to "warm pool" El Nino events that are coincident with the easterly phase of the QBO. These events hasten the breakup of the Antarctic polar vortex. The Goddard Earth Observing System (GEOS) chemistry-climate model (CCM) is now capable of generating a realistic QBO, due a new parameterization of gravity wave drag. In this presentation, we will use this new model capability to assess the influence of the QBO on polar stratospheric variability. Using simulations of the recent past, we will compare the modeled relationship between QBO phase and mid-winter vortex strength with the observed Holton-Tan relation, in both hemispheres. We will use simulations of the 21 St century to estimate future trends in the relationship between QBO phase and vortex strength. In addition, we will evaluate the combined influence of the QBO and El Nino/Southern Oscillation (ENSO) on the timing of the breakup of the polar stratospheric vortices in the GEOS CCM. We will compare the influence of these two natural phenomena with trends in the vortex breakup associated with ozone recovery and increasing greenhouse gas concentrations.

Hurwitz, M. M.↗

NASA NTRS1982

Prospects for prediction of zonal wind oscillations

The existence of an index cycle, a quasi-periodic oscillation in the strength of the zonal wind intensity, would offer the possibility of predicting an important atmospheric feature over the period of at least one oscillation. To determine whether such a cycle exists, daily time series of several different atmospheric variables for the period November 1-April 30 for 1974-1977 were assembled. Here, the height of the 500 mb surface at latitudes 60 N and 30 N is considered. It is shown that (1) there is evidence that an index cycle exists, (2) there is theoretical reason to expect multiply periodic atmospheric flow patterns, and (3) a relatively simple, dynamically sound prediction scheme can be proposed.

Dutton, J. A.↗

NASA NTRS2024

Investigating the Strength and Variability of El Niño Southern Oscillation Teleconnections to Hydroclimate and Maize Yields in Southern and East Africa

The state of the El Niño Southern Oscillation (ENSO) is critical for seasonal climate forecasts, but recent events diverged substantially from expectations in many regions, including Sub-Saharan Africa where seasonal forecasts are critical tools for addressing food security. Here, we evaluate 39 years (1982–2020) of data on hydroclimate, leaf area index, and maize yields to investigate the strength of ENSO teleconnections in southern and East Africa. Teleconnections to precipitation, soil moisture, and leaf area index are generally stronger during ENSO phases that cause drought conditions (El Niño in southern Africa and La Niña in East Africa), with seasonality that aligns well with the maize growing seasons. Within maize growing areas, however, ENSO teleconnections to hydroclimate and vegetation are generally weaker compared to the broader geographic regions, especially in East Africa. There is also little evidence that the magnitude of the ENSO event affects the hydroclimate or vegetation response in these maize regions. Maize yields in Kenya, Malawi, South Africa, and Zimbabwe all correlate significantly with hydroclimate and leaf area index, with South Africa and Zimbabwe showing the strongest and most consistent yield responses to ENSO events. Our results highlight the chain of causality from El Niño and La Niña forcing of regional anomalies in hydroclimate to vegetation health and maize yields in southern and East Africa. The large spread across individual ENSO events, however, underscores the limitations of this climate mode for seasonal climate prediction in the region, and the importance of finding additional sources of skill for improving climate and yield forecasts.

El Niño Southern Oscillation↗

NASA NTRS1992

Properties of quasi-periodic oscillations in accreting magnetic white dwarfs

Previous studies of time-dependent accretion onto magnetic white dwarfs, in which the cooling was assumed to be due to bremsstrahlung emission, have shown that the accretion shock undergoes oscillations. However, when cyclotron cooling is also included, the oscillations are damped for sufficiently strong magnetic fields. Here we demonstrate that the oscillations can be sustained by accretion-fluctuation-induced excitations. The frequency of the QPOs are shown to increase quadratically with the magnetic field strength. We interpret the oscillations as a two-phase process in which bremsstrahlung cooling dominates in one half-cycle and cyclotron cooling in the other. Such a process may have very different consequences compared to a single-phase process where the functional form of the cooling is essentially the same throughout the cycle. If in the two-phase process damping occurs mainly in the cyclotron cooling half-cycle, there will be a universal effective damping factor which tends to suppress all oscillation modes indiscriminately. The oscillations of the accretion shock also could be a limit cycle process in which the system vacillates between two branches.

Wu, Kinwah↗