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At least 181 records · Page 10

More-Accurate Model of Flows in Rocket Injectors

An improved computational model for simulating flows in liquid-propellant injectors in rocket engines has been developed. Models like this one are needed for predicting fluxes of heat in, and performances of, the engines. An important part of predicting performance is predicting fluctuations of temperature, fluctuations of concentrations of chemical species, and effects of turbulence on diffusion of heat and chemical species. Customarily, diffusion effects are represented by parameters known in the art as the Prandtl and Schmidt numbers. Prior formulations include ad hoc assumptions of constant values of these parameters, but these assumptions and, hence, the formulations, are inaccurate for complex flows. In the improved model, these parameters are neither constant nor specified in advance: instead, they are variables obtained as part of the solution. Consequently, this model represents the effects of turbulence on diffusion of heat and chemical species more accurately than prior formulations do, and may enable more-accurate prediction of mixing and flows of heat in rocket-engine combustion chambers. The model has been implemented within CRUNCH CFD, a proprietary computational fluid dynamics (CFD) computer program, and has been tested within that program. The model could also be implemented within other CFD programs.

Hosangadi, Ashvin↗

Dielectric Covered Planar Antennas at Submillimeter Wavelengths for Terahertz Imaging

Most optical systems require antennas with directive patterns. This means that the physical area of the antenna will be large in terms of the wavelength. When non-cooled systems are used, the losses of microstrip or coplanar waveguide lines impede the use of standard patch or slot antennas for a large number of elements in a phased array format. Traditionally, this problem has been solved by using silicon lenses. However, if an array of such highly directive antennas is to be used for imaging applications, the fabrication of many closely spaced lenses becomes a problem. Moreover, planar antennas are usually fed by microstrip or coplanar waveguides while the mixer or the detector elements (usually Schottky diodes) are coupled in a waveguide environment. The coupling between the antenna and the detector/ mixer can be a fabrication challenge in an imaging array at submillimeter wavelengths. Antennas excited by a waveguide (TE10) mode makes use of dielectric superlayers to increase the directivity. These antennas create a kind of Fabry- Perot cavity between the ground plane and the first layer of dielectric. In reality, the antenna operates as a leaky wave mode where a leaky wave pole propagates along the cavity while it radiates. Thanks to this pole, the directivity of a small antenna is considerably enhanced. The antenna consists of a waveguide feed, which can be coupled to a mixer or detector such as a Schottky diode via a standard probe design. The waveguide is loaded with a double-slot iris to perform an impedance match and to suppress undesired modes that can propagate on the cavity. On top of the slot there is an air cavity and on top, a small portion of a hemispherical lens. The fractional bandwidth of such antennas is around 10 percent, which is good enough for heterodyne imaging applications.The new geometry makes use of a silicon lens instead of dielectric quarter wavelength substrates. This design presents several advantages when used in the submillimeter-wave and terahertz bands: a) Antenna fabrication compatible with lithographic techniques. b) Much simpler fabrication of the lens. c) A simple quarter-wavelength matching layer of the lens will be more efficient if a smaller portion of the lens is used. d) The directivity is given by the lens diameter instead of the leaky pole (the bandwidth will not depend anymore on the directivity but just on the initial cavity). The feed is a standard waveguide, which is compatible with proven Schottky diode mixer/detector technologies. The development of such technology will benefit applications where submillimeter- wave heterodyne array designs are required. The main fields are national security, planetary exploration, and biomedicine. For national security, wideband submillimeter radars could be an effective tool for the standoff detection of hidden weapons or bombs concealed by clothing or packaging. In the field of planetary exploration, wideband submillimeter radars can be used as a spectrometer to detect trace concentrations of chemicals in atmospheres that are too cold to rely on thermal imaging techniques. In biomedicine, an imaging heterodyne system could be helpful in detecting skin diseases.

Chattopadhyay, Goutam↗

Cosmic Complexity

What explains the extraordinary complexity of the observed universe, on all scales from quarks to the accelerating universe? My favorite explanation (which I certainty did not invent) ls that the fundamental laws of physics produce natural instability, energy flows, and chaos. Some call the result the Life Force, some note that the Earth is a living system itself (Gaia, a "tough bitch" according to Margulis), and some conclude that the observed complexity requires a supernatural explanation (of which we have many). But my dad was a statistician (of dairy cows) and he told me about cells and genes and evolution and chance when I was very small. So a scientist must look for me explanation of how nature's laws and statistics brought us into conscious existence. And how is that seemll"!gly Improbable events are actually happening a!1 the time? Well, the physicists have countless examples of natural instability, in which energy is released to power change from simplicity to complexity. One of the most common to see is that cooling water vapor below the freezing point produces snowflakes, no two alike, and all complex and beautiful. We see it often so we are not amazed. But physlc!sts have observed so many kinds of these changes from one structure to another (we call them phase transitions) that the Nobel Prize in 1992 could be awarded for understanding the mathematics of their common features. Now for a few examples of how the laws of nature produce the instabilities that lead to our own existence. First, the Big Bang (what an insufficient name!) apparently came from an instability, in which the "false vacuum" eventually decayed into the ordinary vacuum we have today, plus the most fundamental particles we know, the quarks and leptons. So the universe as a whole started with an instability. Then, a great expansion and cooling happened, and the loose quarks, finding themselves unstable too, bound themselves together into today's less elementary particles like protons and neutrons, liberating a little energy and creating complexity. Then, the expanding universe cooled some more, and neutrons and protons, no longer kept apart by immense temperatures, found themselves unstable and formed helium nuclei. Then, a little more cooling, and atomic nuclei and electrons were no longer kept apart, and the universe became transparent. Then a little more cooling, and the next instability began: gravitation pulled matter together across cosmic distances to form stars and galaxies. This instability is described as a "negative heat capadty" in which extracting energy from a gravitating system makes it hotter -- clearly the 2nd law of thermodynamics does not apply here! (This is the physicist's part of the answer to e e cummings' question: what is the wonder that's keeping the stars apart?) Then, the next instability is that hydrogen and helium nuclei can fuse together to release energy and make stars burn for billions of years. And then at the end of the fuel source, stars become unstable and explode and liberate the chemical elements back into space. And because of that, on planets like Earth, sustained energy flows support the development of additional instabilities and all kinds of complex patterns. Gravitational instability pulls the densest materials into the core of the Earth, leaving a thin skin of water and air, and makes the interior churn incessantly as heat flows outwards. And the heat from the sun, received mostly near the equator and flowing towards the poles, supports the complex atmospheric and oceanic circulations. And because or that, the physical Earth is full of natural chemical laboratories, concentrating elements here, mixing them there, raising and lowering temperatures, ceaselessly experimenting with uncountable events where new instabilities can arise. At least one of them was the new experiment called life. Now that we know that there are at least as many planets as there are stars, it is hard to imagine that nature's ceasess experimentation would not be able to produce life elsewhere -- but we don't know for sure. And life went on to cause new Instabilities, constantly evolving, with living things in an extraordinary range of environments, changing the global environment, with boom-and-bust cycles. with predators for every kInd of prey, with criminals for every possible crime, with governments to prevent them, and instabilities of the governments themselves. One of the instabilities Is that humans demand new weapons and new products of all sort, leading to serious investments in science and technology. So the natural/human world of competition and combat is structured to lead to advanced weaponry and cell phones. So here we are In 2012, with people writing essays and wondering whether their descendents will be artificial life forms travelling back into space. And, pondering what are the origins of those forces of nature that give rise to everything. Verllnde has argued that gravitation, the one force that has so far resisted our efforts at a Quantum description, is not even a fundamental force, but is itself it a statistical force, like osmosis. What an amazing turn of events! But after all I've just said, I should not be surprised a bit.

Mather, John C.↗

Predicting the Seawater Chemistry of an Ocean World Using Machine Learning on Isotopic Measurements of Volatile CO2

Introduction: Given the long time intervals required for data transmission to and from ocean worlds targets, low bandwidth for data transmission, time required for data processing and analysis, and potentially extreme radiation environments (e.g., Europa), it is clear that ocean worlds missions will need more autonomous flight instruments and software in order to achieve established science goals. Protracted time intervals for data analysis (e.g., Europa Lander) strongly motivates the development of rapid, consistent and streamlined methods for interpreting data from flight mass spectrometers to e.g., determine how mass spectra from a plume or surface liquid/ice relates to the surface/subsurface. Since mass spectrometry also has the potential to correctly identify biosignatures[1], it is imperative that such methods for interpreting data are consistent and accurate. We used 848 isotope ratio mass spectra from laboratory analyses of CO2 that interacted with ocean worlds-relevant seawaters as a ‘training’ dataset for ‘unsupervised’ machine learning. In unsupervised learning, characteristics of the data are not labeled or linked, and any similarities found only result from the neural network. CO2 isotopologues analyzed for this dataset mimic the remote measurements of CO2 by a flight mass spectrometer, and are detailed in Theiling [2]. From this dataset, we used measured features of the spectra, such as retention time, intensity, and (isotopologue) mass ratios as inputs for our autoencoder neural network. Our neural network was trained to find similarities in these and other spectral features for seawaters of a particular composition and amount of initial CO2. Successful training then created an output of these similarities for various seawaters, which included MgSO4, Na2SO4, NaCl, MgCl2, KCl, and NaHCO3, and combinations of these salts. We then applied dimensionality reduction techniques such as Principal Component Analysis (PCA), T-Distributed Stochastic Neighbor Embedding (TSNE), and Uniform Manifold Approximation and Projection (UMAP) to demonstrate latent data features as a two-dimensional projection in a unitless, high-dimensional space. In this projection, a data point represents the combined effect of spectral features such as intensity, retention time, and isotope ratio. Our initial UMAP demonstrates data clustering (organization of the data by the neural network) based on the amount of CO2 that had initially interacted with each seawater. Further training using more ‘supervised’ learning techniques demonstrate strong clustering of preliminary data based on initial CO2 concentration, seawater chemical composition, and ionic strength (salinity). Our preliminary work therefore suggests that machine learning has the potential to identify compositional variants of an ocean world seawater based on mass spectra from volatile CO2 measurements. Acknowledgments: This work was funded through a Strategic Task Group at NASA Goddard Space Flight Center. The training dataset was collected through funding from the Oklahoma Space Grant Consortium. References: [1] Pappalardo, R. et al. (2013) Astrobiology, 13, 740–773. [2] Theiling (2020) Icarus, 114216.

Europa↗

Expanding SPoRT RGBs and Machine Learning Techniques to Enhance Air Quality Monitoring in Southern Asia

Air pollution poses significant environmental, public health, and societal concerns in the Hindu Kush Himalaya (HKH) region of south-central Asia, notably during the dry monsoon months (~November to May). Key contributors to poor air quality include dust from the Middle East and western India, persistent nocturnal fog/smog, and biomass burning. To address this issue, we established a robust air quality and chemistry observation and modeling product suite utilizing multi-spectral red-green-blue (RGB) composite satellite products from Korea’s GEO-KOMPSAT-2A satellite, the Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model for dust transport forecasts, and the Weather Research and Forecasting coupled with Chemistry (WRF-Chem) model to predict aerosols and chemical species concentrations. Our team employed similar RGB recipes transitioned by the NASA Short-term Prediction Research and Transition (SPoRT) Center for the GOES-R era products over the Western Hemisphere, with significant success in depicting dust and nocturnal fog / low clouds, and to a lesser extent smoke and fire hot spots. We will extend these capabilities for the HKH region by applying an artificial intelligence (AI) model that objectively identifies dust from multi-spectral satellite data over the Southwestern United States. The AI model will be calibrated for automated dust detection over HKH from GEO-KOMPSAT-2A satellite data, with a goal of developing a similar AI model for objectively identifying smoke as well. The ultimate goal of this effort is to enhance dust and smoke predictions in the region by establishing improved emission initializations in HYSPLIT and/or WRF-Chem through the automated AI detection of dust and smoke.

Jonathan L. Case↗

Distribution of volatile organic chemicals in outdoor and indoor air

The EPA volatile organic chemistry (VOC) national ambient data base (Shah, 1988) is discussed. The 320 chemicals included in the VOC data base are listed. The methods used to obtain the data are reviewed and the availability, accessibility, and operation of the data base are examined. Tables of the daily outdoor concentrations for 66 chemicals and the daily indoor concentrations for 35 chemicals are presented.

Shah, Jitendra J.↗

The possible role of soluble salts in chemical evolution

A model for a prebiotic environment in which concentration, condensation, and chemical evolution of biomolecules could have occurred is proposed. The principal reactions expected of proteins, nucleic acids, lipids, and some of their precursors in this environment are discussed. The model is based on the concept of a fluctuating system in which hydration and dehydration processes occur in a cyclic manner, with allowance for high concentrations of soluble salts, such as chlorides and sulfates. It is concluded that the proposed prebiotic environment with its dynamical characteristics is a plausible model for the chemical evolution from biomonomers through random oligomers toward self-replicating chemical systems.

Lahav, N.↗

Static and Dynamic Gradient Based Directional Transportation of Neutral Molecules in Swollen Polymer Films

Abstract Materials which selectively transport molecules offer powerful opportunities for concentrating and separating chemical agents. Here, utilizing static and dynamic chemical gradients, transport of molecules within swollen crosslinked polymers is demonstrated. Using an ≈200 μm static hydroxyl to hexyl gradient, the neutral ambipolar nerve agent surrogate diethyl (cyanomethyl)phosphonate (DECP) is directionally transported and concentrated 60‐fold within 4 hours. To accelerate transport kinetics, a dynamic gradient (a “travelling wave”) is utilized. Here, the non‐polar dye pyrene was transported. The dynamic gradient is generated by an ion exchange process triggered by the localized introduction of an aqueous NaCl solution, which converts the gel from hydrophobic to hydrophilic. As the hydrophilic region expands, associated water enters the gel, and pyrene is pushed ahead of the expansion front. The dynamic gradient provides about 10‐fold faster transport kinetics than the static gradient.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

OVOC (Oxygenated Volatile Organic Chemicals) in the Global Atmosphere: Atmospheric Budgets, Oceanic Concentrations, and Uncertainties

Airborne measurements of oxygenated volatile organic chemicals (OVOC), OH free radicals, and tracers of pollution were performed over the Pacific during Winter/Spring of 2001. Large concentrations of OVOC are present in the global troposphere and are expected to play an important role in atmospheric chemistry. Their total abundance (SIGMAOVOC) was nearly twice that of non-methane hydrocarbons (SIGMAC2-C8 NMHC). Throughout the troposphere, the OH reactivity of OVOC is comparable to that of methane and far exceeds that of NHMC. A comparison of these data with western Pacific observations collected some seven years earlier (Feb.-March, 1994) did not reveal significant differences. Analysis of the relative enhancement of selected OVOC with respect to CH3Cl and CO in twelve plumes originating from fires and sampled in the free troposphere (3-11 km) is used to assess their primary and secondary emissions from biomass combustion. The composition of these plumes also indicates a large shift of reactive nitrogen into the PAN reservoir thereby limiting ozone formation. These data are combined with other observations and interpreted with the help of a global 3-D model to assess OVOC global sources and sinks. We further interpret atmospheric observations with the help of an air-sea exchange model io show that oceans can be both net so~rces and sinks. An extremely large oceanic reservoir of OVOC, that exceeds the atmospheric reservoir by more than an order of magnitude, can be inferred to be present. We conclude that OVOC sources are extremely large (150-500 TgC y-1) but remain poorly quantified. In many cases, measured concentrations are uncertain and incompatible with our present knowledge of atmospheric chemistry. Results based on observations from several field studies and critical gaps will be discussed.

Singh, Hanwant B.↗

Response of soil bacteria to PUREX chemicals suggests biomarker utility and bioremediation potential

Chemicals involved in plutonium uranium reduction extraction (PUREX) can be released from nuclear reprocessing facilities and accumulate in the environment. We exposed chemically diverse soils to a range of concentrations of key chemicals used in the PUREX process. The responses of soil microbial communities are dependent on soil type, and tributyl phosphate exposure generates the most reproducible changes in microbial communities. We reconstructed the genomes of key bacteria and find several phosphotriesterase genes found only in Rhizobiaceae. The abundance of phosphotriesterase genes is significantly higher in samples exposed to tributyl phosphate. In conclusion, these phosphotriesterase genes may be involved in breakdown of tributyl phosphate, and a means of accessing phosphate for these bacteria.

Bioremediation↗

A new approach for simulating inhomogeneous chemical kinetics

Abstract In this paper, inhomogeneous chemical kinetics are simulated by describing the concentrations of interacting chemical species by a linear expansion of basis functions in such a manner that the coupled reaction and diffusion processes are propagated through time efficiently by tailor-made numerical methods. The approach is illustrated through modelling $$\alpha$$ α - and $$\gamma$$ γ -radiolysis in thin layers of water and at their solid interfaces from the start of the chemical phase until equilibrium was established. The method’s efficiency is such that hundreds of such systems can be modelled in a few hours using a single core of a typical laptop, allowing the investigation of the effects of the underlying parameter space. Illustrative calculations showing the effects of changing dose-rate and water-layer thickness are presented. Other simulations are presented which show the approach’s capability to solve problems with spherical symmetry (an approximation to an isolated radiolytic spur), where the hollowing out of an initial Gaussian distribution is observed, in line with previous calculations. These illustrative simulations show the generality and the computational efficiency of this approach to solving reaction-diffusion problems. Furthermore, these example simulations illustrate the method’s suitability for simulating solid-fluid interfaces, which have received a lot of experimental attention in contrast to the lack of computational studies.

97 MATHEMATICS AND COMPUTING↗

Barium Nitrate Raman Laser Development for Remote Sensing of Ozone

In order to understand the impact of anthropogenic emissions upon the earth's environment, scientists require remote sensing techniques which are capable of providing range-resolved measurements of clouds, aerosols, and the concentrations of several chemical constituents of the atmosphere. The differential absorption lidar (DIAL) technique is a very promising method to measure concentration profiles of chemical species such as ozone and water vapor as well as detect the presence of aerosols and clouds. If a suitable DIAL system could be deployed in space, it would provide a global data set of tremendous value. Such systems, however, need to be compact, reliable, and very efficient. In order to measure atmospheric gases with the DIAL technique, the laser transmitter must generate suitable on-line and off-line wavelength pulse pairs. The on-line pulse is resonant with an absorption feature of the species of interest. The off-line pulse is tuned so that it encounters significantly less absorption. The relative backscattered power for the two pulses enables the range-resolved concentration to be computed. Preliminary experiments at NASA LaRC suggested that the solid state Raman shifting material, Ba(NO3)2, could be utilized to produce these pulse pairs. A Raman oscillator pumped at 532 nm by a frequency-doubled Nd:YAG laser can create first Stokes laser output at 563 nm and second Stokes output at 599 nm. With frequency doublers, UV output at 281 nm and 299 nm can be subsequently obtained. This all-solid state system has the potential to be very efficient, compact, and reliable. Raman shifting in Ba(NO3)2, has previously been performed in both the visible and the infrared. The first Raman oscillator in the visible region was investigated in 1986 with the configurations of plane-plane and unstable telescopic resonators. However, most of the recent research has focused on the development of infrared sources for eye-safe lidar applications.

McCray, Christopher L.↗

Reconstruction of the constituent distribution and trends in the Antarctic polar vortex from ER-2 flight observations

The measurements of ozone, ClO, and N2O concentrations in the south polar region taken aboard the ER-2 aircraft during the Airborne Antarctic Ozone Experiment are analyzed using conservative coordinate transformations to potential temperature-N2O and potential temperature-potential vorticity space. The latter transformation is equivalent to interpreting trace species observations within the modified Lagrangian mean (MLM) coordinate system. The results show that the MLM transformed ozone concentration decreases at about 0.06 ppmv per day between 20- and 16-km altitude inside the polar vortex during the mid-August to mid-September period. These ozone changes are collocated with the region of high ClO concentration. Outside the chemically perturbed region, at the highest aircraft altitudes, ozone concentration systematically increases, suggesting a diabatic cooling of the order 0.3-0.6 K/day.

Schoeberl, Mark R.↗

Mass Spectrometer Containing Multiple Fixed Collectors

A miniature mass spectrometer that incorporates features not typically found in prior mass spectrometers is undergoing development. This mass spectrometer is designed to simultaneously measure the relative concentrations of five gases (H2, He, N2, O2, and Ar) in air, over the relative-concentration range from 10(exp -6) to 1, during a sampling time as short as 1 second. It is intended to serve as a prototype of a product line of easy-to-use, portable, lightweight, highspeed, relatively inexpensive instruments for measuring concentrations of multiple chemical species in such diverse applications as detecting explosive or toxic chemicals in air, monitoring and controlling industrial processes, measuring concentrations of deliberately introduced isotopes in medical and biological investigations, and general environmental monitoring. The heart of this mass spectrometer is an integral combination of a circular cycloidal mass analyzer, multiple fixed ion collectors, and two mass-selective ion sources. By circular cycloidal mass analyzer is meant an analyzer that includes (1) two concentric circular cylindrical electrodes for applying a radial electric field and (2) a magnet arranged to impose a magnetic flux aligned predominantly along the cylindrical axis, so that ions, once accelerated into the annulus between the electrodes, move along circular cycloidal trajectories. As in other mass analyzers, trajectory of each ion is determined by its mass-to-charge ratio, and so ions of different species can be collected simultaneously by collectors (Faraday cups) at different locations intersected by the corresponding trajectories (see figure). Unlike in other mass analyzers, the installation of additional collectors to detect additional species does not necessitate increasing the overall size of the analyzer assembly.

Moskala, Robert↗

Curation of a list of chemicals in biosolids from EPA National Sewage Sludge Surveys & Biennial Review Reports

Section 405(d) of the Clean Water Act requires the US Environmental Protection Agency to review sewage sludge regulations every two years to identify any additional pollutants that may occur in biosolids and to set regulations for pollutants identified in biosolids if sufficient scientific evidence shows they may harm human health or the environment. To date, EPA has conducted eight biennial reviews to identify chemical and microbial pollutants and three national sewage sludge surveys to identify pollutants and obtain concentration data for chemicals found in biosolids. Prior to 2021, there was inconsistent reporting of chemicals identified and EPA did not cumulatively track chemicals in biosolids. Through the efforts presented here, EPA produced a list of 726 chemicals and structure-based classes found in biosolids based on biennial reviews and national sewage sludge surveys. Summary statistics of concentration data are also reported for the 484 chemicals found in the three national sewage sludge surveys. The creation of the Biosolids List supports EPA in assessing the potential risk of chemical pollutants found in biosolids.

54 ENVIRONMENTAL SCIENCES↗

Non-invasive optical detection of glucose in cell culture nutrient medium

The objective of the proposed research was to begin the development of a non-invasive optical sensor for measuring glucose concentration in the output medium of cell cultures grown in a unique NASA bioreactor referred to as an integrated rotating-wall vessel (IRWV). The input, a bovine serum based nutrient media, has a known glucose concentration. The cells within the bioreactor digest a portion of the glucose. Thus, the non-invasive optical sensor is needed to monitor the decrease in glucose due to cellular consumption since the critical parameters for sustained cellular productivity are glucose and pH. Previous glucose sensing techniques have used chemical reactions to quantify the glucose concentration. Chemical reactions, however, cannot provide for continuous, real time, non-invasive measurement as is required in this application. Our effort while in the fellowship program was focused on the design, optical setup, and testing of one bench top prototype non-invasive optical sensor using a mid-infrared absorption spectroscopy technique. Glucose has a fundamental vibrational absorption peak in the mid-infrared wavelength range at 9.6 micron. Preliminary absorption data using a CO2 laser were collected at this wavelength for water based glucose solutions at different concentrations and one bovine serum based nutrient medium (GTSF) with added glucose. The results showed near linear absorption responses for the glucose-in-water data with resolutions as high at 108 mg/dl and as low as 10 mg/dl. The nutrient medium had a resolution of 291 mg/dl. The variability of the results was due mainly to thermal and polarization drifts of the laser while the decrease in sensitivity to glucose in the nutrient medium was expected due to the increase in the number of confounders present in the nutrient medium. A multispectral approach needs to be used to compensate for these confounders. The CO2 laser used for these studies was wavelength tunable (9.2 to 10.8 micrometers), however, it was to unstable across wavelengths to test the multispectral approach. From this research, further NASA support was obtained to continue the work throughout the year in which a more stable light source will be used at smaller, near-infrared, wavelengths. It is anticipated that a more compact, non-invasive, optical glucose sensor will be realized which can be used with a bioreactor on future space shuttle missions. It is also anticipated that a multispectral optical sensor may be used to determine the concentration of other molecules needed within the NASA bioreactor, such as fructose and galactose.

Cote, Gerald L.↗