Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “chemical dynamics”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

An overview of NLC-91: A rocket/radar study of the polar summer mesosphere

In late July and early August of 1991, a major suborbital scientific campaign (NLC-91) involving scientists from eight countries was conducted as ESRANGE, Kiruna, Sweden and at Heiss Island, Russia. The purpose of the program was to investigate the chemical, dynamical, and electrodynamical properties of the polar summer mesosphere. Thirty one rocket flights were coordinated with two coherent radar facilities, EISCAT and CUPRI, and with other ground-based observatories and facilities. This permitted direct comparison between the in situ measurements and those obtained by remote sensing of the mesosphere via continuous ground-based monitoring. The primary objectives of the campaign were to study noctilucent clouds (NLCs) and polar mesospheric summer echoes (PMSEs), including their possible relationship to local aerosols and/or small scale turbulence. This overview describes the scientific program, discusses the geophysical conditions during launch activities, and reviews some of the preliminary results. More detailed results can be found in the papers which follow.

Goldberg, R. A.↗
NASA NTRS1993

An overview of NLC-91: A rocket/radar study of the polar summer mesophere

In late July and early August of 1991, a major suborbital scientific campaign (NLC-91) involving scientists from eight countries was conducted at ESRANGE, Kiruna, Sweden and at Heiss Island, Russia. The purpose of the program was to investigate the chemical, dynamical, and electrodynamical properties of the polar summer mesosphere. Thirty one rocket flights were coordinated with two coherent radar facilities, European Incoherent Scatter (EISCAT) and Cornell Univesity Portable Radar Interferometer (CUPRI), and with other ground-based observatories and facilities. This permitted direct comparison between the in situ measurements and those obtained by remote sensing of the mesosphere via continuous ground-based monitoring. The primary objectives of the campaign were to study noctilucent clouds (NLCs) and polar mesospheric summer echoes (PMSEs), including their possible relationship to local aerosols and/or small scale turbulence. This overview describes the scientific program, discusses the geophysical conditions during launch activities, and reviews some of the preliminary results. More detailed results can be found in the papers which follow.

Goldberg, R. A.↗
NASA NTRS2003

SHADOZ (Southern Hemisphere Additional Ozonesondes): A Tropical Ozonesonde-Radiosonde Network for the Atmospheric Community

A lack of sounding data has limited the accuracy of ozone satellite retrievals in the tropics and our understanding of chemical-dynamical interactions in a region strongly influenced by natural variability and anthropogenic activity. In 1998, NASA s Goddard Space Flight Center, NOAA's Climate Monitoring and Diagnostics Laboratory (CMDL) and a team of international sponsors established the SHADOZ (Southern Hemisphere ADditional OZonesondes) project to address the gap in tropical ozone soundings. SHADOZ augments launches at selected sites and provides a public archive of ozonesonde and radiosonde data from twelve tropical and subtropical stations at http://croc.gsfc.nasa.gov/shadoz. Instrumentation, data and a summary of the first scientific findings from SHADOZ are presented.

Thompson, Anne M.↗
NASA NTRS2003

Discoveries about Tropical Tropospheric Ozone from Satellite and SHADOZ (Southern Hemisphere Additional Ozonesondes) and a Future Perspective on NASA's Ozone Sensors

We have been producing near-real tropical tropospheric ozone ('TTO') data from TOMS since 1997 with Prof. Hudson and students at the University of Maryland. Maps for 1996-2000 for the operational Earth-Probe instrument reside at: . We also have archived 'TTO' data from the Nimbus 7/TOMS satellite (1979-1992). The tropics is a region strongly influenced by natural variability and anthropogenic activity and the satellite data have been used to track biomass burning pollution and to detect interannual variability and climate signals in ozone. We look forward to future ozone sensors from NASA; four will be launched in 2004 as part of the EOS AURA Mission. The satellite view of chemical-dynamical interactions in tropospheric ozone is not adequate to capture vertical variability. Thus, in 1998, NASA's Goddard Space Flight Center, NOAA's Climate Monitoring and Diagnostics Laboratory (CMDL) and a team of international sponsors established the SHADOZ (Southern Hemisphere ADditional OZonesondes) project to address the gap in tropical ozone soundings. SHADOZ augments launches at selected sites and provides a public archive of ozonesonde data from twelve tropical and subtropical stations at http://croc.nsfc.nasa.gov/shadoz. The stations are: Ascension Island; Nairobi, Kenya; Irene, South Africa; R,union Island; Watukosek, Java; Fiji; Tahiti; American Samoa; San Cristobal, Galapagos; Natal, Brazil, Malindi, Kenya; Paramaribo, Surinam. From the first 3-4 years of data (presently greater than 1700 sondes), the following features emerge: (a) highly variable tropospheric ozone; (b) a zonal wave-one pattern in tropospheric column ozone; (c) tropospheric ozone variability over the Indian and Pacific Ocean displays strong convective signatures.

Thompson, Anne↗
NASA NTRS2004

Discoveries about Tropical Ozone from Satellite and SHADOZ (Southern Hemisphere ADditional Ozonesondes)

We have been producing near-real tropical tropospheric ozone ("TTO") data from TOMS since 1997 with Prof. Hudson and students at the University of Maryland. Maps for 1996-2000 for the operational Earth-Probe instrument reside at: . The tropics is a region strongly influenced by natural variability and anthropogenic activity and the satellite data have been used to track biomass burning pollution and to detect interannual variability and climate signals in ozone. The satellite view of chemical-dynamical interactions in tropospheric ozone is not adequate to capture vertical variability. Thus, in 1998, NASA's Goddard Space Flight Center, NOAA's Climate Monitoring and Diagnostics Laboratory (CMDL) and a team of international sponsors established the SHADOZ (Southern Hemisphere ADditional OZonesondes) project to address the gap in tropical ozone soundings. SHADOZ provides a public archive of ozonesonde data from twelve tropical and subtropical stations at http://croc.gsfc.nasa.gov/shadoz. Highlights from the first 4-5 years of SHADOZ data (presently > 2000 sondes) will be shown.

Thompson, Anne M.↗
NASA NTRS1993

An overview of the cosmic dust analogue material production in reduced gravity: the STARDUST experience

The formation, properties and chemical dynamics of microparticles are important in a wide variety of technical and scientific fields including synthesis of semiconductor crystals from the vapour, heterogeneous chemistry in the stratosphere and the formation of cosmic dust surrounding the stars. Gravitational effects on particle formation from vapors include gas convection and buoyancy and particle sedimentation. These processes can be significantly reduced by studying condensation and agglomeration of particles in microgravity. In addition, to accurately simulate particle formation near stars, which takes place under low gravity conditions, studies in microgravity are desired. We report here the STARDUST experience, a recent collaborative effort that brings together a successful American program of microgravity experiments on particle formation aboard NASA KC-135 Reduced Gravity Research Aircraft and several Italian research groups with expertise in microgravity research and astrophysical dust formation. The program goal is to study the formation and properties of high temperature particles and gases that are of interest in astrophysics and planetary science. To do so we are developing techniques that are generally applicable to study particle formation and properties, taking advantage of the microgravity environment to allow accurate control of system parameters.

NASA Discipline Exobiology↗
NASA NTRS2004

New Perspectives from Satellite and Profile Observations on Tropospheric Ozone over Africa and the Adjacent Oceans: An Indian-Atlantic Ocean Link to tbe "Ozone Paradox"

In the past few years, tropospheric ozone observations of Africa and its adjacent ocenas have been greatly enhanced by high resolution (spatial and temporal) satellite measurements and profile data from aircraft (MOZAIC) and balloon-borne (SHADOZ) soundings. These views have demonstrated for the first time the complexity of chemical-dynamical interactions over the African continent and the Indian and Atlantic Oceans. The tropical Atlantic "ozone paradax" refers to the observation that during the season of maximum biomass burning in west Africa north of the Intertropical Convergence Zone (ITCZ), the highest tropospheric ozone total column occurs south of the ITCZ over the tropical Atlantic. The longitudinal view of tropospheric ozone in the southern tropics from SHADOZ (Southern Hemisphere Additional Ozonesondes) soundings shown the persistence of a "zonal-wave one" pattern that reinforces the "ozone paradox". These ozone features interact with dynamics over southern and northern Africa where anthropogenic sources include the industrial regions of the South African Highveld and Mideastern-Mediterranean influences, respectively. Our newest studies with satellites and soundings show that up to half the ozone pollution over the Atlantic in the January-March "paradox" period may originate from south Asian pollution. Individual patches of pollurion over the Indian Ocean are transported upward by convective mixing and are enriched by pyrogenic, biogenic sources and lightning as they cross Africa and descend over the Atlantic. In summary, local sources, intercontinental import and export and unique regional transport patterns put Africa at a crossroads of troposheric ozone influences.

Thompson, Anne M.↗
NASA NTRS2005

Multiphysics Nuclear Thermal Rocket Thrust Chamber Analysis

The objective of this effort is t o develop an efficient and accurate thermo-fluid computational methodology to predict environments for hypothetical thrust chamber design and analysis. The current task scope is to perform multidimensional, multiphysics analysis of thrust performance and heat transfer analysis for a hypothetical solid-core, nuclear thermal engine including thrust chamber and nozzle. The multiphysics aspects of the model include: real fluid dynamics, chemical reactivity, turbulent flow, and conjugate heat transfer. The model will be designed to identify thermal, fluid, and hydrogen environments in all flow paths and materials. This model would then be used to perform non- nuclear reproduction of the flow element failures demonstrated in the Rover/NERVA testing, investigate performance of specific configurations and assess potential issues and enhancements. A two-pronged approach will be employed in this effort: a detailed analysis of a multi-channel, flow-element, and global modeling of the entire thrust chamber assembly with a porosity modeling technique. It is expected that the detailed analysis of a single flow element would provide detailed fluid, thermal, and hydrogen environments for stress analysis, while the global thrust chamber assembly analysis would promote understanding of the effects of hydrogen dissociation and heat transfer on thrust performance. These modeling activities will be validated as much as possible by testing performed by other related efforts.

Wang, Ten-See↗
NASA NTRS2004

Earth Atmosphere Observatory Formation at L2

This paper is a product of research supported by NASA under RASC (the Revolutionary Aerospace Systems Concepts) program. It presents an overall system architecture, and covers issues of deployment, navigation, and control related to a formation of two spacecraft in the neighborhood of the Sun-Earth L2 Lagrange point (on the Sun-Earth line), that serves as an observatory of Earth's atmosphere. The observatory concept definition study was a multi-center NASA effort conducted in 2003, and covered a much wider scope than is presented in this focused paper.The Earth observatory at L2 is a unique design concept that can improve the knowledge and understanding of dynamic, chemical and radiative mechanisms that cause changes in the atmosphere, and can lead to the development of models and techniques to predict short and long-term climate changes.

observatory↗
NASA NTRS2011

Radiolytic Cryovolcanism Revisited

Location of Enceladus within the inner magnetosphere of Saturn makes it likely that energetic electron irradiation, ion-neutral chemistry of the emergent cryovolcanic plume gas, and resultant radiolytic modification of surface ice composition could impact long-term evolution of molecular composition in the global ice crust. Thermally-driven convection of ice in the south polar terrain would bring radiolytic oxidant products into contact with subsurface reservoirs of primordial organics on million-year time scales. The chemical reactions leading to CO2 gas production as a primary gas-piston driver of cryovolcanic activity would be exponentially elevated in the warm-ice margins of a heated fluid. The fluid temperature is typically assumed to be below 273 K but could be much higher in a gas-pressurized deep subsurface environment. The Perrier Ocean model has demonstrated how a CO2-loaded fluid could account for the observed jets, while the heat content of the fluid arising from the moon's deeper interior could support high levels of chemical reactivity in the thermal margins. Since mass loss and tidal dissipation arguments do not support continuous activity over billions of years, the activity is likely very episodic so that even low-level energy sources including irradiation-driven radiolysis of surface ices could substantially contribute to the chemical dynamics of the activity apparently now in high phase. A multi-phase thermochemical model, and supporting laboratory measurements of temperature-dependent reaction rates, are needed to investigate these potentially complex processes.

Cooper, John F.↗
NASA NTRS2017

Review of the Global Models Used Within Phase 1 of the Chemistry-Climate Model Initiative (CCMI)

We present an overview of state-of-the-art chemistry-climate and chemistry transport models that are used within phase 1 of the Chemistry-Climate Model Initiative (CCMI-1). The CCMI aims to conduct a detailed evaluation of participating models using process-oriented diagnostics derived from observations in order to gain confidence in the models' projections of the stratospheric ozone layer, tropospheric composition, air quality, where applicable global climate change, and the interactions between them. Interpretation of these diagnostics requires detailed knowledge of the radiative, chemical, dynamical, and physical processes incorporated in the models. Also an understanding of the degree to which CCMI-1 recommendations for simulations have been followed is necessary to understand model responses to anthropogenic and natural forcing and also to explain inter-model differences. This becomes even more important given the ongoing development and the ever-growing complexity of these models. This paper also provides an overview of the available CCMI-1 simulations with the aim of informing CCMI data users.

CCMI↗
NASA NTRS2017

Study of the Aluminium Content in AGB Winds Using ALMA Indications for the Presence of Gas-Phase (Al2O3)n Clusters

Context: The condensation of inorganic dust grains in the winds of evolved stars is poorly understood. As of today, it is not yet known which molecular clusters form the first dust grains in oxygen-rich (C/O < 1) asymptotic giant branch (AGB) winds. Aluminium oxides and iron-free silicates are often put forward as promising candidates for the first dust seeds. Aims: We aim to constrain the dust formation histories in the winds of oxygen-rich AGB stars. Methods: We obtained Atacama Large Millimeter/sub-millimeter array (ALMA) observations with a spatial resolution of 120 × 150mas tracing the dust formation region of the low mass-loss rate AGB star, R Dor, and the high mass-loss rate AGB star, IK Tau. We detected emission line profiles of AlO, AlOH, and AlCl in the ALMA data and used these line profiles to derive a lower limit of atomic aluminium incorporated in molecules. This constrains the aluminium budget that can condense into grains. Results: Radiative transfer models constrain the fractional abundances of AlO, AlOH, and AlCl in IK Tau and R Dor. We show that the gas-phase aluminium chemistry is completely different in both stars with a remarkable difference in the AlO and AlOH abundance stratification. The amount of aluminium locked up in these three molecules is small, ≤1.1×10−7 w.r.t. H2, for both stars, i.e. only ≤2% of the total aluminium budget. An important result is that AlO and AlOH, which are the direct precursors of alumina (Al2O3) grains, are detected well beyond the onset of the dust condensation, which proves that the aluminium oxide condensation cycle is not fully efficient. The ALMA observations allow us to quantitatively assess the current generation of theoretical dynamical-chemical models for AGB winds. We discuss how the current proposed scenario of aluminium dust condensation for low mass-loss rate AGB stars within a few stellar radii from the star, in particular for R Dor and W Hya, poses a challenge if one wishes to explain both the dust spectral features in the spectral energy distribution (SED) in interferometric data and in the polarized light signal. In particular, the estimated grain temperature of Al2O3 is too high for the grains to retain their amorphous structure. We advocate that large gas-phase (Al2O3)n clusters (n > 34) can be the potential agents of the broad 11µm feature in the SED and in the interferometric data and we propose potential formation mechanisms for these large clusters.

stars↗
NASA NTRS2020

Terrestrial Planets Comparative Climatology (TPCC) mission concept

The authors and co-signers of the Terrestrial Planets Comparative Climatology (TPCC) mission concept white paper advocate that planetary science in the next decade would greatly benefit from comparatively studying the fundamental behavior of the atmospheres of Venus and Mars, contemporaneously and with the same instrumentation, to capture atmospheric response to the same solar forcing, and with a minimum of instrument-related variability. NASA’s vision is to understand the effects of the Sun on the solar system and the potential for life elsewhere (Obj,1.1 of [1]). This vision directly motivates the study of terrestrial climate histories and evolution, with the ultimate goal of understanding what factors allow the emergence and sustainability of life/biosphere. It is widely accepted that Venus, Mars, and Earth were formed at the same time and in the same neighborhood of the solar nebula [2,3], and had water—a necessary ingredient for life. In spite of strong overlap in the atmospheric composition of these planets, their current climatic states are vastly different. While Earth retains water, both Mars and Venus’ surfaces are now dry. The manner in which these terrestrial bodies evolved, and whether Mars or Venus currently hosts or previously hosted life, are fundamental mysteries in planetary science. As such, the TPCC mission concept has been developed.The TPCC guiding science goals are:(1) to understand Venus’ evolutionary history compared to Mars and Earth, and (2) to elucidate the driving forces and mechanisms of global circulation at Mars and Venus. These goals address the science question: Why have Mars’ and Venus’ climates evolved so differently from each other and from Earth’s? Furthermore, a greater depth of understanding our own solar system, enables us to understand the variability and likelihood of habitable conditions within extra-solar planetary systems.We suggest a mission architecture and payload that would determine the noble gas content and isotopic ratios, including the D/H ratio, at Venus with sufficient accuracy to identify the timeline of Venus’ climatic evolution for comparison with Mars. In addition, our concept would systematically “follow the energy” at Mars and Venus, in order to establish how solar forcing on the two atmospheric systems leads to the current balance of dynamical, chemical, and radiative processes responsible for each planet’s climatic state.This would include acquisition of the first global atmospheric wind profiles on either planet;global, continuous profiles of aerosols, gases, and water vapor at vertical resolutions higher than any previous mission;and regular UV and IR night glow observations tracking global circulation on both planets.To increase the fidelity of the planned planetary comparisons, the TPCC mission concept baseline (estimated to be New Frontiers Class)would send a single spacecraft to visit one planet and then the next, allowing measurements of each planet with the same instrumentation within similar parts of the solar cycle. The concept uses commercial solar-electric propulsion (SEP; e.g., [4])similar to the Psyche mission [5], plus a probesent deep into Venus’ atmosphere(e.g., LLISSE concept; [6]).Alternatively, “twin” spacecraft (with added probe to the Venus craft),developed at the same time,and launched close in time,would increase the overlap in operation periods and should also be studied. Either architecture is a timely alternative to independently developed and launched spacecraft payloads, which ultimately are more costly and difficult to inter-calibrate.

Leslie K. Tamppari↗
NASA NTRS2022

Moon: Origin, Alternative Theories

The Moon’s origin and formation should be able to explain the current physical, dynamical, chemical, and internal thermal states. While the Giant Impactor Theory is the leading theory, we must also look into the earlier variations of lunar origins. This includes variants on three main possible scenarios: capture, rotational disruption, and co-accretion.

Caitlin Ahrens↗
DOE OSTI2026

Toward Intelligent Multimodal Holography for Real-Time Chemical Imaging of Dynamic Ion Separation

Molecular-level visualization of ion transport and separation dynamics in complex environments is crucial for advancing energy systems, water purification, and critical materials recovery. Achieving this requires imaging platforms that combine structural sensitivity, chemical specificity, and real-time operation. Digital off-axis holography (DOAH) provides high-throughput, label-free quantitative phase imaging but inherently lacks chemical selectivity. Integrating DOAH with complementary spectroscopic channels such as fluorescence or hyperspectral imaging introduces the needed molecular specificity, while also creating challenges in multimodal data fusion, synchronization, and computational throughput. Artificial intelligence offers a powerful route to address these limitations by uniting physics-based reconstruction with data-driven interpretation. In this Perspective, we outline a framework for intelligent multimodal holography and demonstrate its potential using a preliminary AI-driven test case. Raw DOAH holograms of lanthanide solutions subjected to magnetic field gradients were analyzed using multi-agent AI workflows that autonomously selected reconstruction tools, extracted NMF components, and generated scientific claims consistent with true paramagnetic and diamagnetic behavior. This demonstration shows how AI-enabled reasoning can deliver real-time chemical–structural interpretation directly from raw holograms. Together, these advances define a path toward adaptive, intelligent holography platforms capable of supporting in situ chemical separations, dynamic ion transport analysis, and next-generation interfacial science.

Ricchiuti, Giovanna↗
DOE OSTI2025

ZnO quantum dot–molecule conjugates: Chemical interactions, charge dynamics, and spin polarization

Conjugates between molecules and quantum dots (QDs) have been explored for a range of potential applications from photocatalysis and photovoltaics to quantum information science technologies. A particularly ubiquitous material in many of these applications are ZnO QDs since they can accept and transport electrons and can also act as hosts for unique spin states. Conjugates between molecular light absorbers and ZnO QDs have been explored for decades as components in dye-sensitized solar cells. Recently, these materials have also attracted interest for their ability to produce spin-polarized states upon photoexcitation. The current paper employs a series of light absorbing perylene molecules with different ZnO QD sizes to explore key features of these QD–molecule conjugates: (1) chemical interactions, (2) charge dynamics, and (3) spin polarization. The chemical interactions between the molecules and QDs are determined with binding equilibria and reveal dramatic impact of ligand size. The charge transfer dynamics from photoexcited perylenes to ZnO QDs were found to depend exponentially on the linker length. Finally, time-resolved electron paramagnetic resonance experiments reveal that these conjugates generate spin-polarized states in the form of radical pairs and triplets. These spin states hold promise as potential qubits and also offer an avenue to efficiently sensitize molecular triplets.

Hernandez, Frida S. [Amherst College, MA (United S↗
DOE OSTI2021

Insight into SEI Growth in Li-Ion Batteries using Molecular Dynamics and Accelerated Chemical Reactions

The performance of lithium-ion batteries (LIB) using organic electrolytes strongly depends on the formation of a stable solid electrolyte interphase (SEI) film. Elucidating the dynamic evolution and spatial composition of the SEI can be very useful to study the stability of SEI components and help optimize the formation cycles of LIB. We propose a classical molecular dynamics simulation protocol for predicting the first stages of SEI formation using a reaction method involving the decomposition of EC and LiPF 6 molecules in the electrolyte. We accelerate the formation of SEI components near the anode surface by increasing the probability of reactions, implemented through a geometry matching scheme, followed by a force-field reconfiguration. We observe the formation of gases (C 2 H 4 ), inorganic (Li 2 CO 3 and LiF) and organic (LEDC) components. Finally, this protocol shows promise to be able to evaluate the effects of varying electrolyte compositions and additives on SEI layer structure and composition.

25 ENERGY STORAGE↗