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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

[C ιι] Map of the Molecular Ring and Arms of the Spiral Galaxy NGC 7331*

We present the [C ιι] 157.7 μm map of galaxy NGC 7331 obtained with the Field-Imaging Far-Infrared Line Spectrometer on board the Stratospheric Observatory for Infrared Astronomy (SOFIA). This map extends an existent Herschel/Photodetector Array Camera and Spectrometer observation of the central strip of the galaxy to encompass the entire molecular ring and much of the disk, including multiple spiral arms with intense far-IR emission. We also present Herschel archival data of the [N ιι] 205 μm line, which covers a substantial part of the [C ιι] SOFIA observations and allows us to estimate the neutral fraction of the [C ιι] emission along the ring and disk of the galaxy. We find that the neutral fraction rises with the distance from the center. In addition, by tracing the azimuthal variation of the neutral fraction, we are able to see how our observing perspective affects this measurement. The high inclination of NGC 7331 allows us to glimpse the internal walls of the molecular ring. There, young bright stars emit UV radiation causing more [C ιι] emission to be produced in the ionized gas. On the outer walls, opaque dust shrouds the rest of the ring, making the neutral medium the dominant source of [C ιι] emission. Through spatial analysis comparing the [C ιι] emission to tracers of gas heating, we are able to investigate how the photoelectric heating efficiency varies throughout NGC 7331 and extend global measurements of the [C ιι] deficit to local environments. Since the origin of [C ιι] emission has typically been studied in face-on galaxies, our results shed a new light on the interpretation of [C ιι] emission, especially when studying distant galaxies with unknown inclination.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2020

High Angular Resolution ALMA Images of Dust and Molecules in the SN 1987A Ejecta

We present high angular resolution (∼80 mas) ALMA continuum images of the SN1987A system, together with CO J = 21, J = 65, and SiO J = 54 to J = 76 images, which clearly resolve the ejecta (dust continuum and molecules) and ring (synchrotron continuum) components. Dust in the ejecta is asymmetric and clumpy, and overall the dust fills the spatial void seen in Hα images, filling that region with material from heavier elements. The dust clumps generally fill the space where CO J = 6 5 is fainter, tentatively indicating that these dust clumps and CO are locationally and chemically linked. In these regions, carbonaceous dust grains might have formed after dissociation of CO. The dust grains would have cooled by radiation, and subsequent collisions of grains with gas would also cool the gas, suppressing the CO J = 6 5 intensity. The data show a dust peak spatially coincident with the molecular hole seen in previous ALMA CO J = 2 1 and SiO J = 5 4 images. That dust peak, combined with CO and SiO line spectra, suggests that the dust and gas could be at higher temperatures than the surrounding material, though higher density cannot be totally excluded. One of the possibilities is that a compact source provides additional heat at that location. Fits to the far-infrared–millimeter spectral energy distribution give ejecta dust temperatures of 18–23 K. We revise the ejecta dust mass to Mdust = 0.2–0.4 Mfor carbon or silicate grains, or a maximum of <0.7 Mfor a mixture of grain species, using the predicted nucleosynthesis yields as an upper limit.

Interstellar dust↗
DOE OSTI2020

Tip-Enhanced Raman Nanospectroscopy of Smooth Spherical Gold Nanoparticles

We record nanoscale-resolved chemical images of thiobenzonitrile (TBN)-functionalized smooth gold nanospheres on silicon via tip-enhanced Raman (TER) nano-spectroscopy. The recorded images trace the nascence of the familiar doughnut-shaped scattering profile of nanoparticles on silicon at its origin (the particle surface), which appears as a horseshoe-shaped scattering pattern under our experimental conditions. The local optical field maps are in agreement with their simulated finite-difference time-domain analogues. Analysis of the recorded spectra with the aid of ab initio molecular dynamics-based Raman spectral simulations further suggests that optical rectification and molecular charging take place throughout the course of atomic force microscopy-based TER nanoscale chemical imaging.

Bhattarai, Ashish↗
NASA NTRS2012

Studies of Supernovae, SNR, and Dust with the James Webb Space Telescope

The james Webb Space Telescope (JWST) will provide breakthrough capabilities for the study of supernovae and supernova remnants, as well as many other science objectives. JWST is a large aperture, cryogenic, infrared-optimized general purpose space observatory under construction by NASA, ESA, and CSA for launch in 2018. The JWST instrumentation will provide imaging, coronagraphy, and spectroscopy between 6000A to 29 microns. This spectral region contains many atomic, molecular, and particulate diagnostics that are especially relevant for the study of dust formation. The spectroscopic capabilities include velocity resolution down to approx. 100 km/sec, a near-IR multi-object spectrograph with a approx. 3x3 arcmin field of view array of approx. 250,000 addressable shutters, and near-IR and mid-IR approx. 3x3 arcsec integral field units. The JWST telescope will have a 6.5m-diameter segmented primary mirror and will be diffraction-limited at 2 microns (PSF FWHM - 0.07 arcsec). The imaging and spectroscopic sensitivities will be about 100x lower than previous capabilities in the near- and mid-IR. The JWST observatory will be placed in a L2 orbit by an Ariane 5 launch vehicle provided by ESA. The JWST telescope and instruments will be passively cooled to approx. 40K by a sunshield that will be unfolded after launch. The sunshield geometry limits the JWST pointing on the sky to be between 85 deg and 135 deg from the Sun. The observatory is designed for a 5-year prime science mission, with consumables for 10 years of science operations, and a Target of Opportunity response time of 48 hours.

Sonneborn, George↗
DOE OSTI2023

Reducing the matrix effect in mass spectral imaging of biofilms using flow-cell culture

The interactions between soil microorganisms and soil minerals play a crucial role in the formation and evolution of minerals and the stability of soil aggregates. Due to the heterogeneity and diversity of the soil environment, the under-standing of the functions of bacterial biofilms in soil minerals at the microscale is limited. A soil mineral-bacterial biofilm system was used as a model in this study, and it was analyzed by time-of-flight secondary ion mass spectrometry (ToF-SIMS) to acquire molecular level information. Static culture in multi-wells and dynamic flow-cell culture in microfluidics of biofilms were investigated. Our results show that more characteristic molecules of biofilms can be observed in SIMS spectra of the flow-cell culture. In contrast, biofilm signature peaks are buried under the mineral components in SIMS spectra in the static culture case. Spectral overlay was used in peak selection prior to performing Principal component analysis (PCA). Comparisons of the PCA results between the static and flow-cell culture show more pronounced molecular features and higher loadings of organic peaks of the dynamic cultured specimens. For example, fatty acids secreted from bacterial biofilm extracellular polymeric substance are likely to be responsible for biofilm dispersal due to mineral treatment up to 48 h. Such findings suggest that the use of microfluidic cells to dynamically culture biofilms be a more suitable method for reducing the matrix effect arisen from the growth medium and minerals as a perturbation fac-tor for improved spectral and multivariate analysis of complex mass spectral data in ToF-SIMS. These results show that the interaction mechanism between biofilms and soil minerals at the molecular level can be better studied using the flow-cell culture and advanced mass spectral imaging techniques like ToF-SIMS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Unimodal Imaging of Monovalent Metal-Chelator Complexes and Lipids by MALDI Imaging Mass Spectrometry

Careful regulation of monovalent metal ions (M + ) is necessary to maintain a functional cellular system. Of these ions, appropriate sodium (Na + ) and potassium (K + ) concentrations are particularly integral for electrochemical signaling, as well as the secondary transport of nutrients and waste. Dysregulation of M + homeostasis can disrupt these mechanisms, potentially influencing the metabolism of downstream biomolecules such as lipids. Thus, the relationship between M + abundances and related biomolecular distributions must be elucidated to better understand the physiology of healthy and disordered tissues. Traditional techniques for imaging biological metal distributions include SIMS, LA-ICP-MS, and XRF; however, these capabilities are limited to elemental analysis or the analysis of molecular fragments and must be paired with other modalities to visualize distributions of more complex biomolecules within the same or similar samples. Conversely, matrix-assisted laser desorption/ionization imaging mass spectrometry (MALDI IMS) is a powerful tool often used for mapping such biomolecular distributions, but current methods are unable to detect metals within tissue. This study illustrates a novel methodology that adds metal detection to the MALDI IMS repertoire through which the simultaneous detection of M + metals and lipids is achievable. Using a robotic sprayer for homogeneous application, on-tissue deposition of the chelator deferiprone (DEF) enables subsequent detection of the ionizable metal-chelator complex by MALDI without hindering lipid detection. Our work provides proof-of-concept data for the simultaneous detection of K + , Na + , and intact lipids using MALDI IMS.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Electrochemical hydrogen isotope fractionation - fundamental insights leading to process scale up

Introduction Deuterium and tritium, the two isotopes of hydrogen besides protium, are utilized in many industries. Deuterium is routinely used as a nuclear reactor moderator and molecular labeling agent, while tritium is used as an autoradiography label in medical imaging, and in an emerging market for self-powered lighting for watches, exit signs, firearm night-sights and future fusion fuel. Tritium is produced naturally at very low steady-state levels due to cosmic rays, natural nuclear decay reactions, as well as commercial nuclear fission reactors, and terrestrial nuclear testing conducted primarily in the mid-twentieth century. Tritium often accumulates in the heavy water used in nuclear fission reactors and sometimes appears in groundwater near nuclear reactors due to slight leakage from water sources in the reactor. Because of the health and environmental impacts from tritium leaking into the water sources, as well as the value of this precious material, it is desirable to remove and recover as much tritium as reasonably possible from contaminated water.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1984

Evaluation of a Magneto-optical Filter and a Fabry-perot Interferometer for the Measurement of Solar Velocity Fields from Space

A program was developed to evaluate the performance of three different devices as possible space-borne solar velocity field imagers. Two of these three devices, a magneto-optical filter and a molecular adherence Fabry-Perot interferometer were installed in a newly-constructed observing system located at the 60-foot tower telescope at the Mt. Wilson Observatory. Time series of solar filtergrams and Dopplergrams lasting up to 10 hours per day were obtained with the filter while shorter runs were obtained with the Fabry-Perot. Two-dimensional k (sub h)-omega power spectra which show clearly the well-known p-mode ridges were computed from the time series obtained with the magneto-optical filter. These power spectra were compared with similar power spectra obtained recently with the 13.7-m McMath spectrograph at Kitt Peak.

Rhodes, E. J., Jr.↗
NASA NTRS1986

Optical manifestations of mass outflows from young stars - At atlas of CCD images of Herbig-Haro objects

An attempt is made to provide deep CCD images suitable for tracing the shock-excited and scattered-light components characterizing extended Herbig-Haro complexes. Tabular data include astrometric positions for all stars, shock-excited emission knots, prominent scattered-light patches, as well as an identification for all H-alpha emission objects within the CCD images. It is concluded that: (1) optical outflows are not always accompanied by molecular flows, (2) optical outflows show a higher degree of collimation than their molecular counterparts, and (3) the Herbig-Haro phenomenon is not restricted to low-mass young stellar objects.

Strom, K. M.↗
NASA NTRS1988

The evoluation of young stellar object disks and their environment

By carrying out direct imaging and spectroscopic observations of young, pre-main sequence stars in nearby molecular clouds researchers have begun: to define the frequency with which disks of approximately solar system size and mass form around young stars, and to understand the timescale for disk evolution; to characterize the early radiation (ultraviolet and keV particle) environment of circumstellar disks through study of evolution of stellar winds, wind/disk interactions and the UV and optical emission characteristics of young stars; and to understand the evolution of the solid and gaseous constituents of disks through observations of absorption features in circumstellar gas, broad emission features produced by organic compounds on grain surfaces, and absorption features (e.g., ice) produced in grain mantles. These programs offer the possibilty of relating results from astrophysical studies of the environment to newly-formed stars to the record of planet formation preserved in the solar system. Researchers completed a spectroscopic survey of 30 T Tauri stars with ages ranging from approximately 2 x 10 to the 5th power to 3 x 10 to the 7th power years. From analysis of (OI) and (SII) emission lines, it was concluded that all but two of the stars in our sample are surrounded by optically opaque disks of dimension approximately 50 AU. The two remaining objects show evidence consistent with partial disk clearing (at an age approximately 3 x 10 to the 6th power year). R and I band CFHT observations yielded detections of disks of dimension approximately 100 AU surrounding 5 additional T Tauri stars.

Strom, Stephen E.↗
NASA NTRS1995

Design and development of an all-solid-state laser unit for microgravity combustion applications

The laser-induced fluorescence (LIF) technique is a sensitive and noninvasive method for imaging of flames and for monitoring of temperature and the presence of transient molecular species in flames. Our research effort has two major objectives: (1) to use LIF to study the fundamentals of microgravity combustion via spectroscopic characterization of free radicals, and (2) to design and develop an all-solid-state portable laser unit for combustion studies in a microgravity environment. Well-characterized free radicals, namely hydroxyl (OH) and methoxy (CH3O), have analytically convenient bands that can be laser-excited in the 280-298 nm spectral region with the newly discovered solid-state tunable laser, which is based on the LiCaAIF6:Ce3+(LiCAF:Ce) single crystal pumped by the quadrupled (266 nm) output of a Q-switched YAG:Nd laser. The 266 nm YAG radiation (of about 10 mJ pulse energy) was split into two beams of about equal intensity, one used for photolysis of the free radical precursor and the other used for pumping the laser crystal. Tunability of the LiCAF:Ce laser was provided by a step-motor-driven Littrow-mounted diffraction grating. Laser excitation spectra of the CH3O radical was recorded in the 291.5-296.5 nm region with 0.15 cm(exp -1) resolution. Laboratory experiments have thus successfully shown that the idea of using the LiCAF:Ce laser as a dual-purpose photolysis and excitation source can pay rich dividends and that such a laser can be the center piece of an all-solid-state portable device that can be used for routine analytical investigations of microgravity combustion phenomena.

Kamal, Mohammed M.↗
NASA NTRS2000

Hummingbird Comet Nucleus Analysis Mission

Hummingbird is a highly focused scientific mission, proposed to NASA s Discovery Program, designed to address the highest priority questions in cometary science-that of the chemical composition of the cometary nucleus. After rendezvous with the comet, Hummingbird would first methodically image and map the comet, then collect and analyze dust, ice and gases from the cometary atmosphere to enrich characterization of the comet and support landing site selection. Then, like its namesake, Hummingbird would carefully descend to a pre-selected surface site obtaining a high-resolution image, gather a surface material sample, acquire surface temperature and then immediately return to orbit for detailed chemical and elemental analyses followed by a high resolution post-sampling image of the site. Hummingbird s analytical laboratory contains instrumentation for a comprehensive molecular and elemental analysis of the cometary nucleus as well as an innovative surface sample acquisition device.

Kojiro, Daniel↗
NASA NTRS1995

HH110 Jet Near Infrared Imaging. I. The Outflow Mixing Layer?

Near infrared images are presented of the Herbig-Haro 110 jet centered at the molecular hydrogen lines. The ratio of these lines provides a preliminary diagnostic of molecular gas excitation, which is expected from low velocity shocks and turbulent processes. It is suggested that the morphological properties of the molecular hydrogen emission are consistent with that of a boundary layer.

infrared astronomy Herbig-Haro objects gas jets mo↗
NASA NTRS2007

Highly Collimated Jets and Wide-angle Outflows in HH 46/47: New Evidence from Spitzer Infrared Images

We present new details of the structure and morphology of the jets and outflows in HH 46/47 as seen in Spitzer infrared images from IRAC and MIPS, reprocessed using the 'HiRes' deconvolution technique. HiRes improves the visualization of spatial morphology by enhancing resolution (to subarcsecond levels in IRAC bands) and removing the contaminating side lobes from bright sources. In addition to sharper views of previously reported bow shocks, we have detected (1) the sharply delineated cavity walls of the wide-angle biconical outflow, seen in scattered light on both sides of the protostar, (2) several very narrow jet features at distances approximately 400 AU to approximately 0.1 pc from the star, and (3) compact emissions at MIPS 24 m with the jet heads, tracing the hottest atomic/ionic gas in the bow shocks. Together the IRAC and MIPS images provide a more complete picture of the bow shocks, tracing both the molecular and atomic/ionic gases, respectively. The narrow width and alignment of all jet-related features indicate a high degree of jet collimation and low divergence (width of approximately 400 AU increasing by only a factor of 2.3 over 0.2 pc). The morphology of this jet, bow shocks, wide-angle outflows, and the fact that the jet is nonprecessing and episodic, constrain the mechanisms for producing the jet's entrained molecular gas, and origins of the fast jet, and slower wide-angle outflow.

Herbig-Haro objects↗
NASA NTRS2010

Robust Optimization Design Algorithm for High-Frequency TWTs

Traveling-wave tubes (TWTs), such as the Ka-band (26-GHz) model recently developed for the Lunar Reconnaissance Orbiter, are essential as communication amplifiers in spacecraft for virtually all near- and deep-space missions. This innovation is a computational design algorithm that, for the first time, optimizes the efficiency and output power of a TWT while taking into account the effects of dimensional tolerance variations. Because they are primary power consumers and power generation is very expensive in space, much effort has been exerted over the last 30 years to increase the power efficiency of TWTs. However, at frequencies higher than about 60 GHz, efficiencies of TWTs are still quite low. A major reason is that at higher frequencies, dimensional tolerance variations from conventional micromachining techniques become relatively large with respect to the circuit dimensions. When this is the case, conventional design- optimization procedures, which ignore dimensional variations, provide inaccurate designs for which the actual amplifier performance substantially under-performs that of the design. Thus, this new, robust TWT optimization design algorithm was created to take account of and ameliorate the deleterious effects of dimensional variations and to increase efficiency, power, and yield of high-frequency TWTs. This design algorithm can help extend the use of TWTs into the terahertz frequency regime of 300-3000 GHz. Currently, these frequencies are under-utilized because of the lack of efficient amplifiers, thus this regime is known as the "terahertz gap." The development of an efficient terahertz TWT amplifier could enable breakthrough applications in space science molecular spectroscopy, remote sensing, nondestructive testing, high-resolution "through-the-wall" imaging, biomedical imaging, and detection of explosives and toxic biochemical agents.

Wilson, Jeffrey D.↗
DOE OSTI2020

Coordinate transformation methodology for simulating quasistatic elastoplastic solids

Molecular dynamics simulations frequently employ periodic boundary conditions where the positions of the periodic images are manipulated in order to apply deformation to the material sample. For example, Lees-Edwards conditions use moving periodic images to apply simple shear. Here, we examine the problem of precisely comparing this type of simulation to continuum solid mechanics. We employ a hypo-elastoplastic mechanical model, and develop a projection method to enforce quasi-static equilibrium. We introduce a simulation framework that uses a fixed Cartesian computational grid on a reference domain, and imposes deformation via a time-dependent coordinate transformation to the physical domain. As a test case for our method, we consider the evolution of shear bands in a bulk metallic glass using the shear transformation zone theory of amorphous plasticity. We examine the growth of shear bands in simple shear and pure shear conditions as a function of the initial preparation of the bulk metallic glass.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy

Resolving the electronic structure of a single atom within a molecule is of fundamental importance for understanding and predicting chemical and physical properties of functional molecules such as molecular catalysts. However, the observation of the orbital signature of an individual atom is challenging. We report here the direct identification of two adjacent transition-metal atoms, Fe and Co, within phthalocyanine molecules using high-resolution noncontact atomic force microscopy (HR-AFM). HR-AFM imaging reveals that the Co atom is brighter and presents four distinct lobes on the horizontal plane whereas the Fe atom displays a “square” morphology. Pico-force spectroscopy measurements show a larger repulsion force of about 5 pN on the tip exerted by Co in comparison to Fe. Our combined experimental and theoretical results demonstrate that both the distinguishable features in AFM images and the variation in the measured forces arise from Co’s higher electron orbital occupation above the molecular plane. The ability to directly observe orbital signatures using HR-AFM should provide a promising approach to characterizing the electronic structure of an individual atom in a molecular species and to understand mechanisms of certain chemical reactions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of Molecular Weight on the Morphology of a Polymer Semiconductor–Thermoplastic Elastomer Blend

Abstract Polymer semiconductors (PSCs) are essential active materials in mechanically stretchable electronic devices. However, many exhibit low fracture strain due to their rigid chain conformation and the presence of large crystalline domains. Here, a PSC/elastomer blend, poly[((2,6‐bis(thiophen‐2‐yl)‐3,7‐bis(9‐octylnonadecyl)thieno[3,2‐b]thieno[2′,3′:4,5]thieno[2,3‐d]thiophene)‐5,5′‐diyl)(2,5‐bis(8‐octyloctadecyl)‐3,6‐di(thiophen‐2‐yl)pyrrolo[3,4‐c]pyrrole‐1,4‐dione)‐5,5′‐diyl]] (P2TDPP2TFT4) and polystyrene‐ block ‐poly(ethylene‐ran‐butylene)‐ block ‐polystyrene (SEBS) are systematically investigated. Specifically, the effects of molecular weight of both SEBS and P2TDPP2TFT4 on the resulting blend morphology, mechanical, and electrical properties are explored. In addition to commonly used techniques, atomic force microscopy‐based nanomechanical images are used to provide additional insights into the blend film morphology. Opposing trends in SEBS‐induced aggregation are observed for the different P2TDPP2TFT4 molecular weights upon increasing the SEBS molecular weight from 87 to 276 kDa. Furthermore, these trends are seen in device performance trends for both molecular weights of P2TDPP2TFT4. SEBS molecular weight also has a substantial influence on the mesoscale phase separation. Strain at fracture increases dramatically upon blending, reaching a maximum value of 640% ± 20% in the blended films measured with film‐on‐water method. These results highlight the importance of molecular weight for electronic devices. In addition, this study provides valuable insights into appropriate polymer selections for stretchable semiconducting thin films that simultaneously possess excellent mechanical and electrical properties.

36 MATERIALS SCIENCE↗