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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.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

A Dynamic Pathway for Stone-Wales Bond Rotation on Carbon Nanotubes through Diamond-Like Bonds

A new lower energy barrier with a two-step pathway of Stone-Wales (SW) ,ond rotation on carbon nanotubes (CNTs) is found through molecular dynamics (MD) simulations of CNTs under tension. The first step involves going over to a stable sp3-like metastable configuration with half rotated and partially tilted C-C bond. The second step involves going over to the fully rotated C-C bond with the formation of a SW defect in the nanotube. The energy barrier for this two-step dynamic pathway is significantly lower than the previously known static barrier for in-plane rotation of the C-C bond on a tensile strained (> 4%) CNT.

Wei, Chen-Yu↗
NASA NTRS1984

Dynamic compression and volatile release of carbonates

Particle velocity profiles upon shock compression and isentropic releases were measured for polycrystalline calcite. The Solenhofen limestone release paths lie, close to the Hugoniot. Calcite 3 to 2 transition, upon release, was observed, but rarefaction shocks were not detected. The equation of state is used to predict the fraction of material devolatilized upon isentropic release as a function of shock pressure. The effect of ambient partial pressure of CO2 on the calculations is demonstrated and considered in models of atmospheric evolution by impact induced mineral devolatilization. The radiative characteristics of shocked calcite indicate that localization of thermal energy occurs under shock compression. Shock entropy calculations result in a minimum estimate of 90% devolatilization upon complete release from 10 GPa. Isentropic release paths from calculated continuum Hugoniot temperatures cross into the CaO (solid) + CO2 (vapor) field at improbably low pressures. It is found that release paths from measured shock temperatures cross into the melt plus vapor field at pressures greater than .5 GPa, which suggests that devolatilization is initiated at the shear banding sites.

Tyburczy, J. A.↗
NASA NTRS1986

Dynamic compression and volatile release of carbonates

Particle velocity profiles upon shock compression and isentropic releases were measured for polycrystalline calcite. The Solenhofen limestone release paths lie close to the Hugoniot. Calcite 3 to 2 transition, upon release was observed, but rarefaction shocks were not detected. The equation of state is used to predict the fraction of material devolatilized upon isentropic release as a function of shock pressure. The effect of ambient partial pressure of CO2 on the calculations is demonstrated and considered in models of atmospheric evolution by impact induced mineral devolatilization. The radiative characteristics of shocked calcite indicate that localization of thermal energy occurs under shock compression. Shock entropy calculations result in a minimum estimate of 90 percent devolatilization upon complete release from 10 GPa. Isentropic release paths from calculated continuum Hugoniot temperatures cross into the CaO (solid) + CO2 (vapor) field at improbably low pressures. It is found that release paths from measured shock temperatures cross into the melt plus vapor field at pressures greater than .5 GPa, which suggests that devolatilization is initiated at the shear banding sites.

Tyburczy, J. A.↗
NASA NTRS2002

Analysis of Carbon Nanotube Pull-out from a Polymer Matrix

Molecular dynamics (MD) simulations of carbon nanotube (NT) pull-out from a polymer matrix are carried out. As the NT pull-out develops in the simulation, variations in the displacement and velocities of the NT are monitored. The existence of a carbon-ring-based period in NT sliding during pull-out is identified. Linear trends in the NT velocity-force relation are observed and used to estimate an effective viscosity coefficient for interfacial sliding at the NT/polymer interface. As a result, the entire process of NT pull-out is characterized by an interfacial friction model that is based on a critical pull-out force, and an analog of Newton's friction law used to describe the NT/polymer interfacial sliding.

Frankland, S. J. V.↗
NASA NTRS2018

Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS): Final Report of the ASCENDS Ad Hoc Science Definition Team

Improved remote sensing observations of atmospheric carbon dioxide (CO2) are critically needed to quantify, monitor, and understand the Earth's carbon cycle and its evolution in a changing climate. The processes governing ocean and terrestrial carbon uptake remain poorly understood,especially in dynamic regions with large carbon stocks and strong vulnerability to climate change,for example, the tropical land biosphere, the northern hemisphere high latitudes, and the Southern Ocean. Because the passive spectrometers used by GOSAT (Greenhouse gases Observing SATellite) and OCO-2 (Orbiting Carbon Observatory-2) require sunlit and cloud-free conditions,current observations over these regions remain infrequent and are subject to biases. These short comings limit our ability to understand and predict the processes controlling the carbon cycle on regional to global scales.In contrast, active CO2 remote-sensing techniques allow accurate measurements to be taken day and night, over ocean and land surfaces, in the presence of thin or scattered clouds, and at all times of year. Because of these benefits, the National Research Council recommended the National Aeronautics and Space Administration (NASA) Active Sensing of CO2 Emissions over Nights,Days, and Seasons (ASCENDS) mission in the 2007 report Earth Science and Applications from Space: National Imperatives for the Next Decade and Beyond. The ability of ASCENDS to collect low-bias observations in these key regions is expected to address important gaps in our knowledge of the contemporary carbon cycle.The ASCENDS ad hoc Science Definition Team (SDT), comprised of carbon cycle modeling and active remote sensing instrument teams throughout the United States (US), worked to develop the mission's requirements and advance its readiness from 2008 through 2018. Numerous scientific investigations were carried out to identify the benefit and feasibility of active CO2 remote sensing measurements for improving our understanding of CO2 sources and sinks. This report summarizes their findings and recommendations based on mission modeling studies, analysis of ancillary meteorological data products, development and demonstration of candidate technologies, anddesign studies of the ASCENDS mission concept.

Kawa, S. Randolph↗
NASA NTRS1998

Carbon Nanotube Based Molecular Electronics and Motors: A View from Classical and Quantum Dynamics Simulations

The tubular forms of fullerenes popularly known as carbon nanotubes are experimentally produced as single-, multiwall, and rope configurations. The nanotubes and nanoropes have shown to exhibit unusual mechanical and electronic properties. The single wall nanotubes exhibit both semiconducting and metallic behavior. In short undefected lengths they are the known strongest fibers which are unbreakable even when bent in half. Grown in ropes their tensile strength is approximately 100 times greater than steel at only one sixth the weight. Employing large scale classical and quantum molecular dynamics simulations we will explore the use of carbon nanotubes and carbon nanotube junctions in 2-, 3-, and 4-point molecular electronic device components, dynamic strength characterization for compressive, bending and torsional strains, and chemical functionalization for possible use in a nanoscale molecular motor. The above is an unclassified material produced for non-competitive basic research in the nanotechnology area.

Srivastava, Deepak↗
NASA NTRS2022

Modeling Demographic-Driven Vegetation Dynamics and Ecosystem Biogeochemical Cycling in NASA GISS’s Earth System Model (ModelE-BiomeE v.1.0)

We developed a demographic vegetation model, BiomeE, to improve the modeling of vegetation dynamics and ecosystem biogeochemical cycles in the NASA Goddard Institute of Space Studies' ModelE Earth system model. This model includes the processes of plant growth, mortality, reproduction, vegetation structural dynamics, and soil carbon and nitrogen storage and transformations. The model combines the plant physiological processes of ModelE's original vegetation model, Ent, with the plant demographic and ecosystem nitrogen processes that have been represented in the Geophysical Fluid Dynamics Laboratory's LM3-PPA. We used nine plant functional types to represent global natural vegetation functional diversity, including trees, shrubs, and grasses, and a new phenology model to simulate vegetation seasonal changes with temperature and precipitation fluctuations. Competition for light and soil resources is individual based, which makes the modeling of transient compositional dynamics and vegetation succession possible. Overall, the BiomeE model simulates, with fidelity comparable to other models, the dynamics of vegetation and soil biogeochemistry, including leaf area index, vegetation structure (e.g., height, tree density, size distribution, and crown organization), and ecosystem carbon and nitrogen storage and fluxes. This model allows ModelE to simulate transient and long-term biogeophysical and biogeochemical feedbacks between the climate system and land ecosystems. Furthermore, BiomeE also allows for the eco-evolutionary modeling of community assemblage in response to past and future climate changes with its individual-based competition and demographic processes.

Biogeochemical cycles↗
NASA NTRS2023

Some Applications of SiFSAP for Wildfires, Weather and Atmospheric Dynamics Studies

The Single Field of View (SFOV) Sounder Atmospheric Product (SiFSAP) derived from Cross-track Infrared Sounder (CrIS) on SNPP and JPSS have a spatial resolution ( ~14.5 km) better than most global weather and climate models. Most recent improvement in the quality of these products enables us to use these high-resolution observation-based sounding data for air quality, weather and atmospheric dynamics studies. A few cases studies through a synergistic use of SiFSAP from S-NPP and J-1 and the reanalysis data from ERA5 and MERRA-2 will be presented, which include a process-oriented analysis of (1) a stratospheric intrusion (SI) event occurred on June 11-13, 2017 in the southwestern US, (2) one extreme cold air break (CAO) episode occurred on 27-31 January 2019 across much of the US Midwest and its impact from stratospheric downward transport, and (3) dynamic transport of carbon monoxide (CO) associated with Australia’s unprecedented fire from the end of 2019 to early 2020. These examples will demonstrate the value of SiFSAP for weather, atmospheric dynamics, air quality, wildfires studies and for model evaluations.

Xiaozhen (Shawn) Xiong↗
NASA NTRS2022

Tropical peatland hydrology simulated with a global land surface model

Tropical peatlands are among the most carbon-dense ecosystems on Earth, and their water storage dynamics strongly control these carbon stocks. The hydrological functioning of tropical peatlands differs from that of northern peatlands, which has not yet been accounted for in global land surface models (LSMs). Here, we integrated tropical peat-specific hydrology modules into a global LSM for the first time, by utilizing the peatland-specific model structure adaptation (PEATCLSM) of the NASA Catchment Land Surface Model (CLSM). We developed literature-based parameter sets for natural (PEATCLSM(Trop,Nat)) and drained (PEATCLSM(Trop,Drain)) tropical peatlands. Simulations with PEATCLSM(Trop,Nat) were compared against those with the default CLSM version and the northern version of PEATCLSM (PEATCLSM(North,Nat)) with tropical vegetation input. All simulations were forced with global meteorological reanalysis input data for the major tropical peatland regions in Central and South America, the Congo Basin, and Southeast Asia. The evaluation against a unique and extensive data set of in situ water level and eddy covariance-derived evapotranspiration showed an overall improvement in bias and correlation compared to the default CLSM version. Over Southeast Asia, an additional simulation with PEATCLSM(Trop,Drain) was run to address the large fraction of drained tropical peatlands in this region. PEATCLSM(Trop,Drain) outperformed CLSM, PEATCLSM(North,Nat) and PEATCLSM(Trop,Nat) over drained sites. Despite the overall improvements of PEATCLSM(Trop,Nat) over CLSM, there are strong differences in performance between the three study regions. We attribute these performance differences to regional differences in accuracy of meteorological forcing data, and differences in peatland hydrologic response that are not yet captured by our model.

Peatland↗
NASA NTRS2000

Computational Nanotechnology of Materials, Devices, and Machines: Carbon Nanotubes

The mechanics and chemistry of carbon nanotubes have relevance for their numerous electronic applications. Mechanical deformations such as bending and twisting affect the nanotube's conductive properties, and at the same time they possess high strength and elasticity. Two principal techniques were utilized including the analysis of large scale classical molecular dynamics on a shared memory architecture machine and a quantum molecular dynamics methodology. In carbon based electronics, nanotubes are used as molecular wires with topological defects which are mediated through various means. Nanotubes can be connected to form junctions.

Srivastava, Deepak↗
NASA NTRS2012

Hydroclimatic Controls over Global Variations in Phenology and Carbon Flux

The connection between phenological and hydroclimatological variations are quantified through joint analyses of global NDVI, LAI, and precipitation datasets. The global distributions of both NDVI and LAI in the warm season are strongly controlled by three quantities: mean annual precipitation, the standard deviation of annual precipitation, and Budyko's index of dryness. Upon demonstrating that these same basic (if biased) relationships are produced by a dynamic vegetation model (the dynamic vegetation and carbon storage components of the NCAR Community Land Model version 4 combined with the water and energy balance framework of the Catchment Land Surface Model of the NASA Global Modeling and Assimilation Office), we use the model to perform a sensitivity study focusing on how phenology and carbon flux might respond to climatic change. The offline (decoupled from the atmosphere) simulations show us, for example, where on the globe a given small increment in precipitation mean or variability would have the greatest impact on carbon uptake. The analysis framework allows us in addition to quantify the degree to which climatic biases in a free-running GCM are manifested as biases in simulated phenology.

Koster, Randal↗
NASA NTRS2018

Improved Hydrology over Peatlands in a Global Land Modeling System

Peatlands of the Northern Hemisphere represent an important carbon pool that mainly accumulated since the last ice age under permanently wet conditions in specific geological and climatic settings. The carbon balance of peatlands is closely coupled to water table dynamics. Consequently, the future carbon balance over peatlands is strongly dependent on how hydrology in peatlands will react to changing boundary conditions, e.g. due to climate change or regional water level drawdown of connected aquifers or streams. Global land surface modeling over organic-rich regions can provide valuable global-scale insights on where and how peatlands are in transition due to changing boundary conditions. However, the current global land surface models are not able to reproduce typical hydrological dynamics in peatlands well. We implemented specific structural and parametric changes to account for key hydrological characteristics of peatlands into NASA's GEOS-5 Catchment Land Surface Model (CLSM, Koster et al. 2000). The main modifications pertain to the modeling of partial inundation, and the definition of peatland-specific runoff and evapotranspiration schemes. We ran a set of simulations on a high performance cluster using different CLSM configurations and validated the results with a newly compiled global in-situ dataset of water table depths in peatlands. The results demonstrate that an update of soil hydraulic properties for peat soils alone does not improve the performance of CLSM over peatlands. However, structural model changes for peatlands are able to improve the skill metrics for water table depth. The validation results for the water table depth indicate a reduction of the bias from 2.5 to 0.2 m, and an improvement of the temporal correlation coefficient from 0.5 to 0.65, and from 0.4 to 0.55 for the anomalies. Our validation data set includes both bogs (rain-fed) and fens (ground and/or surface water influence) and reveals that the metrics improved less for fens. In addition, a comparison of evapotranspiration and soil moisture estimates over peatlands will be presented, albeit only with limited ground-based validation data. We will discuss strengths and weaknesses of the new model by focusing on time series of specific validation sites.

Bechtold, M.↗
NASA NTRS1986

Space station molecular sieve development

An essential function of a space environmental control system is the removal of carbon dioxide (CO2) from the atmosphere to control the partial pressure of this gas at levels lower than 3 mm Hg. The use of regenerable solid adsorbents for this purpose was demonstrated effectively during the Skylab mission. Earlier sorbent systems used zeolite molecular sieves. The carbon molecular sieve is a hydrophobic adsorbent with excellent potential for space station application. Although carbon molecular sieves were synthesized and investigated, these sieves were designed to simulate the sieving properties of 5A zeolite and for O2/N2 separation. This program was designed to develop hydrophobic carbon molecular sieves for CO2 removal from a space station crew environment. It is a first phase effort involved in sorbent material development and in demonstrating the utility of such a material for CO2 removal on space stations. The sieve must incorporate the following requirements: it must be hydrophobic; it must have high dynamic capacity for carbon dioxide at the low partial pressure of the space station atmosphere; and it must be chemiclly stable and will not generate contaminants.

Chang, C.↗
NASA NTRS2013

Investigations of the Formation of Carbon Grains in Circumstellar Outflows

The study of formation and destruction processes of cosmic dust is essential to understand and to quantify the budget of extraterrestrial organic molecules. Although dust with all its components plays an important role in the evolution of interstellar chemistry and in the formation of organic molecules, little is known on the formation and destruction processes of carbonaceous dust. PAHs are important chemical building blocks of interstellar dust. They are detected in interplanetary dust particles and in meteoritic samples. Additionally, observational, laboratory, and theoretical studies have shown that PAHs, in their neutral and ionized forms, are an important, ubiquitous component of the interstellar medium. Also, the formation of PAHs from smaller molecules has not been extensively studied. Therefore, it is imperative that laboratory experiments be conducted to study the dynamic processes of carbon grain formation from PAH precursors. Studies of interstellar dust analogs formed from a variety of PAH and hydrocarbon precursors as well as species that include the atoms O, N, and S, have recently been performed in our laboratory under conditions that simulate interstellar and circumstellar environments. The species formed in the pulsed discharge nozzle (PDN) plasma source are detected and characterized with a high-sensitivity cavity ringdown spectrometer (CRDS) coupled to a Reflectron time-of-flight mass spectrometer (ReTOF-MS), thus providing both spectroscopic and ion mass information in-situ. We report the first set of measurements obtained in these experiments and identify the species present in the experiments and the ions that are formed in the plasma process. From these unique measurements, we derive information on the size and the structure of interstellar dust grain particles, the growth and the destruction processes of interstellar dust and the resulting budget of extraterrestrial organic molecules.

Grains↗
NASA NTRS2003

Estimating Terrestrial Carbon Exchange from Space: How Often and How Well?

Data from a new space mission measuring integrated light-use efficiency could provide a breakthrough in understanding of global carbon, water, and energy dynamics, and greatly improve the accuracy of model predictions for terrestrial carbon cycles and climate. Over the past decade, Gamon and others have shown that changes in photo-protective pigments are sensitive indicators of declines in light-use efficiency of plants and plant canopies. The requirements for integrated diurnal measurements from space need to be defined, before a space mission can be formulated successfully using this concept. We used towerbased CO 2 flux data as idealized proxies for remote measurements, examining their sampling properties. Thousands of half-hourly CO 2 flux measurements are needed before their average begins to converge on an average annual net CO 2 exchange. Estimates of daily integrated fluxes (i.e., diurnal curves) are more statistically efficient, especially if the spacing between measured days is quasiregular, rather than random. Using a few measurements per day one can distinguish among days with different net CO 2 exchanges. Fluxes sampled between mid-morning to mid-afternoon are more diagnostic than early morning or late afternoon measurements. Similar results (correlation >0.935) were obtained using 2 measurements per day with high accuracy ([:plusmn:]5%), 3 measurements per day with medium accuracy ([:plusmn:] 10%), or 5 measurements per day at lower accuracy ([:plusmn:]20%). An observatory in a geosynchronous or near-geosynchronous orbit could provide appropriate observations, as could a multi-satellite constellation in polar orbits, but there is a potential trade-off between the required number of observations per day and quality of each observation.

Knox, Robert G.↗
NASA NTRS1998

A New Optical Aerosol Spectrometer

An optical particle spectrometer capable of measuring aerosol particle size distributions from 0.02 to 100 micrometers has been developed. This instrument combines several optical methods in one, in-situ configuration; it can provide continuous data collection to encompass the wide dynamic size ranges and concentrations found in studies of modeled planetary atmospheres as well as terrestrial air quality research. Currently, the system is incorporated into an eight liter capacity spherical pressure vessel that is appropriate both for flowthrough and for in-situ particle generation. The optical sizing methods include polarization ratio, The scattering, and forward scattering detectors, with illumination from a fiber-coupled, Argon-ion laser. As particle sizes increase above 0.1 micrometer, a customized electronics and software system automatically shifts from polarization to diffraction-based measurements as the angular scattering detectors attain acceptable signal-to-noise ratios. The number concentration detection limits are estimated to be in the part-per-trillion (ppT by volume) range, or roughly 1000 submicron particles per cubic centimeter. Results from static experiments using HFC134A (approved light scattering gas standard), flow-through experiments using sodium chloride (NaCl) and carbon particles, and dynamic 'Tholin' (photochemical produced particles from ultraviolet (UV)-irradiated acetylene and nitrogen) experiments have been obtained. The optical spectrometer data obtained with particles have compared well with particle sizes determined by electron microscopy. The 'Tholin' tests provided real-time size and concentration data as the particles grew from about 30 nanometers to about 0.8 micrometers, with concentrations ranging from ppT to ppB, by volume. Tests are still underway, to better define sizing accuracy and concentration limits, these results will be reported.

Fonda, Mark↗
NASA NTRS2002

The Stress-strain Behavior of Polymer-Nanotube Composites from Molecular Dynamics Simulations

Stress-strain curves of polymer-carbon nanotube composites are derived from molecular dynamics simulations of a single-walled carbon nanotube embedded in polyethylene. A comparison is made between the response to mechanical loading of a composite with a long, continuous nanotube (replicated via periodic boundary conditions) and the response of a composite with a short, discontinuous nanotube. Both composites are mechanically loaded in the direction of and transverse to the NT axis. The long-nanotube composite shows an increase in the stiffness relative to the polymer and behaves anisotropically under the different loading conditions. The short-nanotube composite shows no enhancement relative to the polymer, most probably because of its low aspect ratio. The stress-strain curves are compared with rule-of-mixtures predictions.

Frankland, S. J. V.↗