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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

TWO-DIMENSIONAL CORE-COLLAPSE SUPERNOVA SIMULATIONS WITH THE ISOTROPIC DIFFUSION SOURCE APPROXIMATION FOR NEUTRINO TRANSPORT

The neutrino mechanism of core-collapse supernova is investigated via non-relativistic, two-dimensional (2D), neutrino radiation–hydrodynamic simulations. For the transport of electron flavor neutrinos, we use the interaction rates defined by Bruenn and the isotropic diffusion source approximation (IDSA) scheme, which decomposes the transported particles into trapped-particle and streaming-particle components. Heavy neutrinos are described by a leakage scheme. Unlike the “ray-by-ray” approach in some other multidimensional supernova models, we use cylindrical coordinates and solve the trapped-particle component in multiple dimensions, improving the proto-neutron star resolution and the neutrino transport in angular and temporal directions. We provide an IDSA verification by performing one-dimensional (1D) and 2D simulations with 15 and 20 M{sub ⊙} progenitors from Woosley et al. and discuss the difference between our IDSA results and those existing in the literature. Additionally, we perform Newtonian 1D and 2D simulations from prebounce core collapse to several hundred milliseconds postbounce with 11, 15, 21, and 27 M{sub ⊙} progenitors from Woosley et al. with the HS(DD2) equation of state. General-relativistic effects are neglected. We obtain robust explosions with diagnostic energies E{sub dia} ≳ 0.1–0.5 B (1 B ≡ 10{sup 51} erg) for all considered 2D models within approximately 100–300 ms after bounce and find that explosions are mostly dominated by the neutrino-driven convection, although standing accretion shock instabilities are observed as well. We also find that the level of electron deleptonization during collapse dramatically affects the postbounce evolution, e.g., the neglect of neutrino–electron scattering during collapse will lead to a stronger explosion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Extremely Bright GRB 160625B with Multiple Emission Episodes: Evidence for Long-term Ejecta Evolution

GRB 160625B is an extremely bright GRB with three distinct emission episodes. By analyzing its data observed with the Gamma-Ray Burst Monitor (GBM) and Large Area Telescope (LAT) on board the Fermi mission, we find that a multicolor blackbody (mBB) model can be used to fit very well the spectra of the initial short episode (Episode I) within the hypothesis of photosphere emission of a fireball model. The time-resolved spectra of its main episode (Episode II), which was detected with both GBM and LAT after a long quiescent stage (∼180 s) following the initial episode, can be fitted with a model comprising an mBB component plus a cutoff power-law (CPL) component. This GRB was detected again in the GBM and LAT bands with a long extended emission (Episode III) after a quiescent period of ∼300 s. The spectrum of Episode III is adequately fitted with CPL plus single power-law models, and no mBB component is required. These features may imply that the emission of the three episodes are dominated by distinct physics processes, i.e., Episode I is possible from the cocoon emission surrounding the relativistic jet, Episode II may be from photosphere emission and internal shock of the relativistic jet, and Episode III is contributed by internal and external shocks of the relativistic jet. On the other hand, both X-ray and optical afterglows are consistent with the standard external shocks model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

CO–0.30–0.07: A peculiar molecular clump with an extremely broad velocity width in the central molecular zone of the Milky Way

The high velocity dispersion compact cloud CO–0.30–0.07 is a peculiar molecular clump discovered in the central molecular zone of the Milky Way, which is characterized by its extremely broad velocity emissions (∼145 km s{sup −1}) despite the absence of internal energy sources. We present new interferometric maps of the cloud in multiple molecular lines in frequency ranges of 265–269 GHz and 276–280 GHz obtained using the Submillimeter Array, along with the single-dish images previously obtained with the ASTE 10 m telescope. The data show that the characteristic broad velocity emissions are predominantly confined in two parallel ridges running through the cloud center. The central ridges are tightly anticorrelated with each other in both space and velocity, thereby sharply dividing the entire cloud into two distinct velocity components (+15 and +55 km s{sup −1}). This morphology is consistent with a model in which the two velocity components collide with a relative velocity of 40 km s{sup −1} at the interface defined by the central ridges, although an alternative explanation with a highly inclined expanding-ring model is yet to be fully invalidated. We have also unexpectedly detected several compact clumps (≲0.1 pc in radius) likely formed by shock compression. The clumps have several features in common with typical star-forming clouds: high densities (10{sup 6.5−−7.5} cm{sup −3}), rich abundances of hot-core-type molecular species, and relatively narrow velocity widths apparently decoupled from the furious turbulence dominating the cloud. The cloud CO–0.30–0.07 is possibly at an early phase of star formation activity triggered by the shock impact.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2001

Technology Assessment of Laser-Assisted Materials Processing in Space

Lasers are useful for performing operations such as joining, machining, built-up freeform fabrication, shock processing, and surface treatments. These attributes are attractive for the supportability of longer-term missions in space due to the multi-functionality of a single tool and the variety of materials that can be processed. However, current laser technology also has drawbacks for space-based applications, specifically size, power efficiency, lack of robustness, and problems processing highly reflective materials. A review of recent laser developments will be used to show how these issues may be reduced and indicate where further improvement is necessary to realize a laser-based materials processing capability in space. The broad utility of laser beams in synthesizing various classes of engineering materials will be illustrated using state-of-the art processing maps for select lightweight alloys typically found on spacecraft. With the advent of recent breakthroughs in diode-pumped solid-state lasers and fiber optic technologies, the potential to perform multiple processing techniques is increasing significantly. Lasers with suitable wavelengths and beam properties have tremendous potential for supporting future space missions to the moon, Mars and beyond.

Nagarathnam, Karthik↗
NASA NTRS2001

Technology Assessment of Laser-Assisted Materials Processing in Space

Lasers are useful for performing operations such as joining, machining, built-up freeform fabrication, shock processing, and surface treatments. These attributes are attractive for the supportability of longer-term missions in space due to the multi-functionality of a single tool and the variety of materials that can be processed. However, current laser technology also has drawbacks for space-based applications, specifically size, power efficiency, lack of robustness, and problems processing highly reflective materials. A review of recent laser developments will be used to show how these issues may be reduced and indicate where further improvement is necessary to realize a laser-based materials processing capability in space. The broad utility of laser beams in synthesizing various classes of engineering materials will be illustrated using state-of-the art processing maps for select lightweight alloys typically found on spacecraft. With the advent of recent breakthroughs in diode-pumped solid-state lasers and fiber optic technologies, the potential to perform multiple processing techniques is increasing significantly. Lasers with suitable wavelengths and beam properties have tremendous potential for supporting future space missions to the moon, Mars and beyond.

Nagarathnam, Karthik↗
NASA NTRS2005

Lunar and Planetary Science XXXVI, Part 19

The topics include: 1) The abundances of Iron-60 in Pyroxene Chondrules from Unequilibrated Ordinary Chondrites; 2) LL-Ordinary Chondrite Impact on the Moon: Results from the 3.9 Ga Impact Melt at the Landing Site of Appolo 17; 3) Evaluation of Chemical Methods for Projectile Identification in Terrestrial and Lunar Impactites; 4) Impact Cratering Experiments in Microgravity Environment; 5) New Achondrites with High-Calcium Pyroxene and Its implication for Igneous Differentiation of Asteroids; 6) Climate History of the Polar Regions of Mars Deduced form Geologic Mapping Results; 7) The crater Production Function for Mars: A-2 Cumulative Power-Law Slope for Pristine Craters Greater than 5 km in Diameter Based on Crater Distribution for Northern Plains Materials; 8) High Resolution Al-26 Chronology: Resolved Time Interval Between Rim and Interior of a Highly Fractionated Compact Type a CAI from Efremovka; 9) Assessing Aqueous Alteration on Mars Using Global Distributions of K and Th; 10) FeNi Metal Grains in LaPaz Mare Basalt Meteorites and Appolo 12 Basalts; 11) Unique Properties of Lunar Soil for In Situ Resource Utilization on the Moon; 12) U-Pb Systematics of Phosphates in Nakhlites; 13) Measurements of Sound Speed in Granular Materials Simulated Regolith; 14) The Effects of Oxygen, Sulphur and Silicon on the Dihedral Angles Between Fe-rich Liquid Metal and Olivine, Ringwoodite and Silicate Perovskite: Implications for Planetary Core Formation; 15) Seismic Shaking Removal of Craters 0.2-0.5 km in Diameter on Asteroid 433 Eros; 16) Focused Ion Beam Microscoopy of ALH84001 Carbonate Disks; 17) Simulating Micro-Gravity in the Laboratory; 18) Mars Atmospheric Sample Return Instrument Development; 19) Combined Remote LIBS and Raman Spectroscopy Measurements; 20) Unusual Radar Backscatter Properties Along the Northern Rim of Imbrium Basin; 21) The Mars Express/NASAS Project at JPL; 22) The Geology of the Viking 2 Lander Site Revisited; 23) An Impact Genesis for Loki Patera? 24) Mars Polar Cap Edges Tracked over 3 Full Mars Years; 25) Elemental Abundance in Presolar SiC: Comparing Grains Separated by Acid Residue and Gently Separation Procedures; 26) First Results from the Descent Imager/Spectral Radiometer (DISR) Experiment on the Huygens Entry Probe of Titan; 27) Minor Element Behavior of Pallasite Olivine: Understanding Pallasite Thermal History and Chronology; 28) Canonical Anorthite in a Grosnaja Forsterite-bearing CAI; 29) Experimental Evidence for Condensation of 'Astrophysical' Carbonate; 30) Distribution and Classification of Multiple Coronae on Venus; 31) Recognition of Rayed Craters on Mars in THEMIS Thermal Infrared Imagery: Implications for Martian Meteorite Source Regions; 32) Geochemical Modeling of Evaporites on Mars: Insight from Meridiani Planum; 33) Hadean Crustal Processes Revealed from Oxygen Isotopes and U-Th-Pb Depth Profiling of Pre-4.0 Ga Detrital Zircons from Western Australia; 34) On Modeling the Seepage of Water into the Martian Subsurface; 35) Martial Gullies and Groundwater: A Series of Unfortunate Exceptions; 36) Olivine and Carbonate Globules in ALH84001: A Terrestrial Analog, and Implications for Water on Mars; 37) A Reevaluation of Mass Movements Within the Valles Marineris Region of Mars Using MOLA and MOC Data; 38) Evidence of Hydrated 109P/Swift-Tuttle Meteoroids from Meteor Spectroscopy; 39) Cr-54 Anomalies in the Solar System: Their Extent and Origin; 40) Reevaluation of the Mn-53-Cr-53 Systematic in the Basaltic Achondrites; 41) Effective Liquid Metal-Silicate Mixing Upon Shock by Power-Law Droplet Size Scaling in Richtmyer-Meshkov Like Perturbations; 42) Post-Impact Deformation of Impact Craters: Towards a Better Understanding Through the Study of Mjolnir Crater; 43) Cutting Silica Aerogel for Particle Extraction; 44) Liquid Hydrocarbons on Titan's Surface? How Cassini ISS Observations Fit into the Story (So Far); and 45) Mesoscale Simulations of Polar Circulations: Late Spring to Late Summe

Source record↗
DOE OSTI2017

The effect of core-collapse supernova accretion phase turbulence on neutrino flavor evolution

During the accretion phase of a core-collapse supernovae, large amplitude turbulence is generated by the combination of the standing accretion shock instability and convection driven by neutrino heating. The turbulence directly affects the dynamics of the explosion, but there is also the possibility of an additional, indirect, feedback mechanism due to the effect turbulence can have upon neutrino flavor evolution and thus the neutrino heating. Here in this paper we consider the effect of turbulence during the accretion phase upon neutrino evolution, both numerically and analytically. Adopting representative supernova profiles taken from the accretion phase of a supernova simulation, we find the numerical calculations exhibit no effect from turbulence. We explain this absence using two analytic descriptions: the stimulated transition model and the distorted phase effect model. In the stimulated transition model turbulence effects depend upon six different lengthscales, and three criteria must be satisfied between them if one is to observe a change in the flavor evolution due to stimulated transition. We further demonstrate that the distorted phase effect depends upon the presence of multiple semi-adiabatic MSW resonances or discontinuities that also can be expressed as a relationship between three of the same lengthscales. When we examine the supernova profiles used in the numerical calculations we find the three stimulated transition criteria cannot be satisfied, independent of the form of the turbulence power spectrum, and that the same supernova profiles lack the multiple semi-adiabatic MSW resonances or discontinuities necessary to produce a distorted phase effect. Thus, we conclude that even though large amplitude turbulence is present in supernova during the accretion phase, it has no effect upon neutrino flavor evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Multiple Components in the Broadband γ -Ray Emission of the Short GRB 160709A

GRB 160709A is one of the few bright short gamma-ray bursts detected by both the Gamma-ray Burst Monitor and the Large Area Telescope on board the Fermi Gamma-ray Space Telescope. The γ-ray prompt emission of GRB 160709A is adequately fitted by combinations of three distinct components: (i) a nonthermal component described by a power law (PL) with a high-energy exponential cutoff, (ii) a thermal component modeled with a Planck function, and (iii) a second nonthermal component shaped by an additional PL crossing the whole γ-ray spectrum. While the thermal component dominates during ~0.12 s of the main emission episode of GRB 160709A with an unusually high temperature of ~340 keV, the nonthermal components dominate in the early and late time. The thermal component is consistent with the photospheric emission resulting in the following parameters: the size of the central engine, ${R}_{0}={3.8}_{-1.8}^{+5.9}$ × 10 8 cm, the size of the photosphere, ${R}_{\mathrm{ph}}={7.4}_{-1.2}^{+0.8}$ × 10 10 cm, and a bulk Lorentz factor, ${\rm{\Gamma }}={728}_{-93}^{+75}$, assuming a redshift of 1. The slope of the additional PL spectrum stays unchanged throughout the burst duration; however, its flux decreases continuously as a function of time. A standard external shock model has been tested for the additional PL component using the relation between the temporal and spectral indices (the closure relation). Each set of spectral and temporal indices from two energy bands (200 keV–40 MeV and 100 MeV–10 GeV) satisfies a distinct closure relation. From the closure relation test we derived the index for the electron spectral distribution, p = 2.5 ± 0.1. The interaction of the jet with the interstellar environment is preferred over the interaction with the wind medium.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1976

Components in interstellar molecular hydrogen

Results are reported for precise spectrophotometric measurements of the profiles of selected Lyman absorption lines produced by hydrogen molecules in various rotational levels along the line of sight to 13 stars which have shown some evidence for an increase in line width with increasing rotational quantum number (J). The line profiles were measured by multiple scans with the Copernicus satellite telescope. Based on analysis of the radial velocities, derivations of the column densities, and line-profile fitting, the following conclusions are made: (1) the increase in interstellar H2 line width with increasing J results from the presence of the most shortward component, which is relatively weak at low J but becomes more important at higher J; (2) the relative column densities found for the different J levels in each component may be fitted by a theoretical model in which rotational excitation is due to absorption of UV photons followed by radiative quadrupole spontaneous transitions or collisionally induced downward transitions between different J levels; (3) the atomic hydrogen density is between 300 and 1000 per cu cm in the most shortward component for each of three stars; (4) the approaching gas which produces each shortward component must be in the form of thin sheets; and (5) the sheets are the compressed gas behind a shock front moving through the interstellar medium.

Spitzer, L., Jr.↗
DOE OSTI2023

Radiation Transport Two-temperature GRMHD Simulations of Warped Accretion Disks

In many black hole (BH) systems, the accretion disk is expected to be misaligned with respect to the BH spin axis. If the scale height of the disk is much smaller than the misalignment angle, the spin of the BH can tear the disk into multiple, independently precessing "sub-disks." This is most likely to happen during outbursts in black hole X-Ray binaries (BHXRBs) and in active galactic nuclei (AGNs) accreting above a few percent of the Eddington limit, because the disk becomes razor-thin. Disk tearing has the potential to explain variability phenomena including quasi-periodic oscillations in BHXRBs and changing-look phenomena in AGNs. Here, we present the first radiative two-temperature general relativistic magnetohydrodynamic (GRMHD) simulation of a strongly tilted (65°) accretion disk around an M BH = 10 M ⊙ BH, which tears and precesses. This leads to luminosity swings between a few percent and 50% of the Eddington limit on sub-viscous timescales. Surprisingly, even where the disk is radiation-pressure-dominated, the accretion disk is thermally stable over t ≳ 14,000 r g /c. This suggests warps play an important role in stabilizing the disk against thermal collapse. The disk forms two nozzle shocks perpendicular to the line of nodes where the scale height of the disk decreases tenfold and the electron temperature reaches T e ~ 10 8 –10 9 K. In addition, optically thin gas crossing the tear between the inner and outer disk gets heated to T e ~ 108 K. This suggests that warped disks may emit a Comptonized spectrum that deviates substantially from idealized models.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2020

Bayesian Statistical Models for Community Annoyance Survey Data

This paper demonstrates the use of two Bayesian statistical models to analyze single-event sonic boom exposure and human annoyance data from community response surveys. Each model is fit to data from a NASA pilot study.Unlike many community noise surveys, this study used a panel sample to collect multiple observations per participant instead of a single observation. Thus, a multilevel (also known as hierarchical or mixed-effects) model is used to account for the within-subject correlation in the panel sample data. This paper describes a multilevel logistic regression model and a multilevel ordinal regression model. The paper also proposes a method for calculating a summary dose-response curve from the multilevel models that represents the population. The two models’ summary dose-response curves are visually similar. However, their estimates differ when calculating the noise dose at a fixed percent highly annoyed.

Musical instruments↗
NASA NTRS2014

Agent Based Modeling of Air Carrier Behavior for Evaluation of Technology Equipage and Adoption

As part of ongoing research, the National Aeronautics and Space Administration (NASA) and LMI developed a research framework to assist policymakers in identifying impacts on the U.S. air transportation system (ATS) of potential policies and technology related to the implementation of the Next Generation Air Transportation System (NextGen). This framework, called the Air Transportation System Evolutionary Simulation (ATS-EVOS), integrates multiple models into a single process flow to best simulate responses by U.S. commercial airlines and other ATS stakeholders to NextGen-related policies, and in turn, how those responses impact the ATS. Development of this framework required NASA and LMI to create an agent-based model of airline and passenger behavior. This Airline Evolutionary Simulation (AIRLINE-EVOS) models airline decisions about tactical airfare and schedule adjustments, and strategic decisions related to fleet assignments, market prices, and equipage. AIRLINE-EVOS models its own heterogeneous population of passenger agents that interact with airlines; this interaction allows the model to simulate the cycle of action-reaction as airlines compete with each other and engage passengers. We validated a baseline configuration of AIRLINE-EVOS against Airline Origin and Destination Survey (DB1B) data and subject matter expert opinion, and we verified the ATS-EVOS framework and agent behavior logic through scenario-based experiments. These experiments demonstrated AIRLINE-EVOS's capabilities in responding to an input price shock in fuel prices, and to equipage challenges in a series of analyses based on potential incentive policies for best equipped best served, optimal-wind routing, and traffic management initiative exemption concepts..

Horio, Brant M.↗
DOE OSTI2015

Development of a Multi-Point Microwave Interferometry (MPMI) Method

A multi-point microwave interferometer (MPMI) concept was developed for non-invasively tracking a shock, reaction, or detonation front in energetic media. Initially, a single-point, heterodyne microwave interferometry capability was established. The design, construction, and verification of the single-point interferometer provided a knowledge base for the creation of the MPMI concept. The MPMI concept uses an electro-optic (EO) crystal to impart a time-varying phase lag onto a laser at the microwave frequency. Polarization optics converts this phase lag into an amplitude modulation, which is analyzed in a heterodyne interferometer to detect Doppler shifts in the microwave frequency. A version of the MPMI was constructed to experimentally measure the frequency of a microwave source through the EO modulation of a laser. The successful extraction of the microwave frequency proved the underlying physical concept of the MPMI design, and highlighted the challenges associated with the longer microwave wavelength. The frequency measurements made with the current equipment contained too much uncertainty for an accurate velocity measurement. Potential alterations to the current construction are presented to improve the quality of the measured signal and enable multiple accurate velocity measurements.

42 ENGINEERING↗
NASA NTRS2012

Prediction of Broadband Shock-Associated Noise Including Propagation Effects Originating NASA

An acoustic analogy is developed based on the Euler equations for broadband shock-associated noise (BBSAN) that directly incorporates the vector Green s function of the linearized Euler equations and a steady Reynolds-Averaged Navier-Stokes solution (SRANS) to describe the mean flow. The vector Green s function allows the BBSAN propagation through the jet shear layer to be determined. The large-scale coherent turbulence is modeled by two-point second order velocity cross-correlations. Turbulent length and time scales are related to the turbulent kinetic energy and dissipation rate. An adjoint vector Green s function solver is implemented to determine the vector Green s function based on a locally parallel mean flow at different streamwise locations. The newly developed acoustic analogy can be simplified to one that uses the Green s function associated with the Helmholtz equation, which is consistent with a previous formulation by the authors. A large number of predictions are generated using three different nozzles over a wide range of fully-expanded jet Mach numbers and jet stagnation temperatures. These predictions are compared with experimental data from multiple jet noise experimental facilities. In addition, two models for the so-called fine-scale mixing noise are included in the comparisons. Improved BBSAN predictions are obtained relative to other models that do not include propagation effects.

Miller, Steven↗
DOE OSTI2018

Elucidating a role for the cytoplasmic domain in the Mycobacterium tuberculosis mechanosensitive channel of large conductance

Microbial survival in dynamic environments requires the ability to successfully respond to abrupt changes in osmolarity. The mechanosensitive channel of large conductance (MscL) is a ubiquitous channel that facilitates the survival of bacteria and archaea under severe osmotic down-shock conditions by relieving excess turgor pressure in response to increased membrane tension. A prominent structural feature of MscL, the cytoplasmic C-terminal domain, has been suggested to influence channel assembly and function. In this report, we describe the X-ray crystal structure and electrophysiological properties of a C-terminal domain truncation of the Mycobacterium tuberculosis MscL (MtMscLΔC). A crystal structure of MtMscLΔC solubilized in the detergent n-dodecyl-β-D-maltopyranoside reveals the pentameric, closed state-like architecture for the membrane spanning region observed in the previously solved full-length MtMscL. Electrophysiological characterization demonstrates that MtMscLΔC retains mechano-sensitivity, but with conductance and tension sensitivity more closely resembling full length EcMscL than MtMscL. This study establishes that the C-terminal domain of MtMscL is not required for oligomerization of the full-length channel, but rather influences the tension sensitivity and conductance properties of the channel. The collective picture that emerges from these data is that each MscL channel structure has characteristic features, highlighting the importance of studying multiple homologs.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2022

Influence of Large-Scale Interplanetary Structures on the Propagation of Solar Energetic Particles: the Multi-Spacecraft Event on 2021 October 9

An intense solar energetic particle (SEP) event was observed on 2021 October 9 by multiple spacecraft distributed near the ecliptic plane at heliocentric radial distances R ≲ 1 au and within a narrow range of heliolongitudes. A stream interaction region (SIR), sequentially observed by Parker Solar Probe (PSP) at R = 0.76 au and 48° east from Earth (ϕ = E48°), STEREO-A (at R = 0.96 au, ϕ = E39°), Solar Orbiter (SolO; at R = 0.68 au, ϕ = E15°), BepiColombo (at R = 0.33 au, ϕ = W02°), and near-Earth spacecraft, regulated the observed intensity-time profiles and the anisotropic character of the SEP event. PSP, STEREO-A, and SolO detected strong anisotropies at the onset of the SEP event, which resulted from the fact that PSP and STEREO-A were in the declining-speed region of the solar wind stream responsible for the SIR and from the passage of a steady magnetic field structure by SolO during the onset of the event. By contrast, the intensity-time profiles observed near Earth displayed a delayed onset at proton energies ≳13 MeV and an accumulation of ≲5 MeV protons between the SIR and the shock driven by the parent coronal mass ejection (CME). Even though BepiColombo, STEREO-A, and SolO were nominally connected to the same region of the Sun, the intensity-time profiles at BepiColombo resemble those observed near Earth, with the bulk of low-energy ions also confined between the SIR and the CME-driven shock. This event exemplifies the impact that intervening large-scale interplanetary structures, such as corotating SIRs, have in shaping the properties of SEP events.

D. Lario↗
NASA NTRSDate not supplied

Ab Initio Electronic Structure Calculations of CNN for CN Excitation Studies

Titan’s atmosphere is composed mostly of N 2 with a small amount of CH 4 , and so, shock layers around craft entering Titan’s atmosphere will contain a variety of molecules formed from H, C, and N atoms, including the cyanogen radical CN. Sensitivity analysis has shown that the radiative heat flux predicted by computational fluid dynamics (CFD) simulations of Titan entry has up to 14% uncertainty due to the rate coefficients for collisional (de)excitation reactions that control the population of CN in its first and second excited states. The red and violet emission bands from CN’s first and second excited states, respectively, are known to be large sources of radiative heat flux on capsules entering Titan’s atmosphere.[2, 3] So, the simulated population of CN in its first and second excited states is very important, but currently has some inherent uncertainty coming from the data for the rate coefficients for reaction 1. The goal of the present project is to provide improved rate coefficient data for these reactions from first principles quantum chemistry calculations. This work reports on preliminary electronic structure calculations generated at a large number of triatomic geometries of interest, which show multiple avoided crossings at collinear arrangements. This suggests that collisional (de)excitation of CN by N atoms is likely to proceed through these geometries.

Eric Geistfeld↗
DOE OSTI2026

Laser absorption measurements of temperature, pressure, CO, and CO 2 at near-MHz rates in post-detonation fireballs with comparison to synthetic measurements

A laser absorption spectroscopy (LAS) diagnostic was used to obtain measurements of temperature, pressure, CO, and CO 2 at 500 kHz or 1 MHz in post-detonation fireballs produced by hemispherical samples of pentaerythritol tetranitrate (PETN). A quantum-cascade laser was scanned over multiple CO absorption transitions near 2008.5 cm −1 at 1 MHz, while an interband-cascade laser was scanned over a CO 2 absorption transition near 2394.8 cm −1 at 500 kHz. Light from each laser was combined onto a single path and passed through a detonation chamber approximately 83 mm above the 12-mm diameter hemispherical PETN charge. The CO and CO 2 absorption signals were post-processed to obtain time histories of temperature, pressure, species column pressures (P CO L, P CO2 L), and species column mole fractions (X CO L, X CO2 L). Additionally, schlieren imaging was performed simultaneously at 500 kHz to aid interpretation of the LAS measurements. Experimental and synthetic (i.e., CFD based) LAS measurements were compared to evaluate the accuracy of the CFD model and its ability to model the turbulent afterburning of the detonation products in air. In general, the experimental measurements exhibit reasonable agreement with the synthetic measurements at early times; thereby supporting the accuracy of the CFD model. Periods of disagreement between experimental and synthetic measurements at later times are most likely due to a reflected shock and detonator cavity jetting, which are not accounted for in the CFD model.

Schwartz, Charles J. [Purdue Univ., West Lafayette↗