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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Coastal Observations of Weather Features in Senegal during the AMMA SOP-3 Period

During 15 August through 30 September 2006, ground and aircraft measurements were obtained from a multi-national group of students and scientists in Senegal. Key measurements were aimed at investigating and understanding precipitation processes, thermodynamic and dynamic environmental conditions, cloud, aerosol and microphysical processes and spaceborne sensors (TRMM, CloudSat/Calipso) validation. Ground and aircraft instruments include: ground based polarimetric radar, disdrometer measurements, a course and a high-density rain gauge network, surface chemical measurements, a 10 m flux tower, broadband IR, solar and microwave measurements, rawinsonde and radiosonde measurements, FA-20 dropsonde, in situ microphysics and cloud radar measurements. Highlights during SOP3 include ground and aircraft measurements of squall lines, African Easterly Waves (AEWs), Saharan Air Layer advances into Senegal, and aircraft measurements of AEWs -- including the perturbation that became Hurricane Isaac.

Jenkins, G.↗
DOE OSTI2022

An instrument for in situ characterization of powder spreading dynamics in powder-bed-based additive manufacturing processes

In powder-bed-based metal additive manufacturing (AM), the visualization and analysis of the powder spreading process are critical for understanding the powder spreading dynamics and mechanisms. Unfortunately, the high spreading speeds, the small size of the powder, and the opacity of the materials present a great challenge for directly observing the powder spreading behavior. In this study, we report a compact and flexible powder spreading system for in situ characterization of the dynamics of the powders during the spreading process by high-speed x-ray imaging. The system enables the tracing of individual powder movement within the narrow gap between the recoater and the substrate at variable spreading speeds from 17 to 322 mm/s. The instrument and method reported here provide a powerful tool for studying powder spreading physics in AM processes and for investigating the physics of granular material flow behavior in a confined environment.

47 OTHER INSTRUMENTATION↗
NASA NTRS2014

Insights on TTL Dehydration Mechanisms from Microphysical Modelling of Aircraft Observations

The Tropical Tropopause Layer (TTL), a transition layer between the upper troposphere and lower stratosphere in the tropics, serves as the entryway of various trace gases into the stratosphere. Of particular interest is the transport of water vapor through the TTL, as WV is an important greenhouse gas and also plays a significant role in stratospheric chemistry by affecting polar stratospheric cloud formation and the ozone budget. While the dominant control of stratospheric water vapor by tropical cold point temperatures via the "freeze-drying" process is generally well understood, the details of the TTL dehydration mechanisms, including the relative roles of deep convection, atmospheric waves and cloud microphysical processes, remain an active area of research. The dynamical and microphysical processes that influence TTL water vapor concentrations are investigated in simulations of cloud formation and dehydration along air parcel trajectories. We first confirm the validity of our Lagrangian models in a case study involving measurements from the Airborne Tropical TRopopause EXperiment (ATTREX) flights over the central and eastern tropical Pacific in Oct-Nov 2011 and Jan-Feb 2013. ERA-Interim winds and seasonal mean heating rates from Yang et al. (2010) are used to advance parcels back in time from the flight tracks, and time-varying vertical profiles of water vapor along the diabatic trajectories are calculated in a one-dimensional cloud model as in Jensen and Pfister (2004) but with more reliable temperature field, wave and convection schemes. The simulated water vapor profiles demonstrate a significant improvement over estimates based on the Lagrangian Dry Point, agreeing well with aircraft observations when the effects of cloud microphysics, subgrid-scale gravity waves and convection are included. Following this approach, we examine the dynamical and microphysical control of TTL water vapor in the 30ºS-30ºN latitudinal belt and elucidate the dominant processes in the winter and summer seasons. Implications of the TTL dehydration processes for the regulation of global stratospheric humidity will be discussed.

stratosphere↗
DOE OSTI2020

Femtosecond stimulated Raman spectro-microscopy for probing chemical reaction dynamics in solid-state materials

Femtosecond stimulated Raman spectroscopy (FSRS) is a chemically specific vibrational technique that has the ability to follow structural dynamics during photoinduced processes such as charge transfer on the ultrafast timescale. FSRS has a strong background in following structural dynamics and elucidating chemical mechanisms; however, its use with solid-state materials has been limited. As photovoltaic and electronic devices rely on solid-state materials, having the ability to track the evolving dynamics during their charge transfer and transport processes is crucial. Following the structural dynamics in these solid-state materials will lead to the identification of specific chemical structures responsible for various photoinduced charge transfer reactions, leading to a greater understanding of the structure–function relationships needed to improve upon current technologies. Furthermore, isolating the specific nuclear motions and molecular structures that drive a desired physical process will provide a chemical blueprint, leading to the rational design and fabrication of efficient electronic and photovoltaic devices. In this perspective, we discuss technical challenges and experimental developments that have facilitated the use of FSRS with solid-state samples, explore previous studies that have identified structure–function relationships in charge transfer reactions, and analyze the future developments that will broaden and advance the field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Nonlinear dynamics of global atmospheric and Earth-system processes

Researchers are continuing their studies of the nonlinear dynamics of global weather systems. Sensitivity analyses of large-scale dynamical models of the atmosphere (i.e., general circulation models i.e., GCM's) were performed to establish the role of satellite-signatures of soil moisture, sea surface temperature, snow cover, and sea ice as crucial boundary conditions determining global weather variability. To complete their study of the bimodality of the planetary wave states, they are using the dynamical systems approach to construct a low-order theoretical explanation of this phenomenon. This work should have important implications for extended range forecasting of low-frequency oscillations, elucidating the mechanisms for the transitions between the two wave modes. Researchers are using the methods of jump analysis and attractor dimension analysis to examine the long-term satellite records of significant variables (e.g., long wave radiation, and cloud amount), to explore the nature of mode transitions in the atmosphere, and to determine the minimum number of equations needed to describe the main weather variations with a low-order dynamical system. Where feasible they will continue to explore the applicability of the methods of complex dynamical systems analysis to the study of the global earth-system from an integrative viewpoint involving the roles of geochemical cycling and the interactive behavior of the atmosphere, hydrosphere, and biosphere.

Saltzman, Barry↗
DOE OSTI2016

Surface hopping investigation of the relaxation dynamics in radical cations

Ionization processes can lead to the formation of radical cations with population in several ionic states. In this study, we examine the dynamics of three radical cations starting from an excited ionic state using trajectory surface hopping dynamics in combination with multiconfigurational electronic structure methods. The efficiency of relaxation to the ground state is examined in an effort to understand better whether fragmentation of cations is likely to occur directly on excited states or after relaxation to the ground state. The results on cyclohexadiene, hexatriene, and uracil indicate that relaxation to the ground ionic state is very fast in these systems, while fragmentation before relaxation is rare. Ultrafast relaxation is facilitated by the close proximity of electronic states and the presence of two- and three-state conical intersections. Examining the properties of the systems in the Franck-Condon region can give some insight into the subsequent dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Korean coastal water depth/sediment and land cover mapping /1:25,000/ by computer analysis of Landsat imagery

Computer analysis was applied to single data Landsat MSS imagery of a coastal area near Seoul, Korea equivalent to a 1:50,000 topographic map, and featuring large dynamic sediment transport processes. Supervised image processing yielded a test classification map containing five water depth/sediment classes, two shoreline/tidal classes and five coastal land cover classes at a scale of 1:25,000 and with a training set accuracy of 76%; the training sets were selected by direct examination of the digitally displayed imagery. The unsupervised ISOCLAS (Senkus, 1976) clustering analysis was performed to assess the relative value of this approach to image classification in areas of sparse or nonexistent ground control. Results indicate that it is feasible to produce quantitative maps for detailed study of dynamic coastal processes given a Landsat image data base at sufficiently frequent time intervals.

Park, K. Y.↗
NASA NTRS1986

Dynamic dielectric analysis - A nondestructive cure process monitoring method

The cure processes of TGDDM-based epoxy thermosets and polysulfone thermoplastic resins were monitored by means of computer-controlled dynamic dielectric measurements made at frequencies 5 Hz to 5 million Hz. The values of capacitance and conductance were recorded, and the data were used to calculate the complex permittivity, an intensive property which is characteristic of the material's state of cure and independent of the amount of material measured. The frequency dependence of the complex permittivity value was used to determine the conductivity and mean relaxation time. The conductivity which is also an intensive variable and is independent of sample size, was correlated with the viscosity in both the epoxy and polysulfone systems.

Kranbuehl, D. E.↗
DOE OSTI2020

Application of Dynamical System Scaling to Bubble Dynamics

Dynamical System Scaling (DSS) provides a useful method for analyzing, categorizing and scaling time-dependent processes. A key feature of DSS is the temporal displacement rate, D, which relates the natural process time to the reference clock time. Because of its property of being invariant under a two-parameter affine transformation, it provides an underlying basis for process scaling. Application of DSS to bubble dynamics serves to elucidate the physical significance of the temporal displacement rate and its role in scaling a variety of bubble dynamics processes. This paper shows that the temporal displacement rate consists of the sum of dimensionless groups that govern the bubble dynamics. Preserving the temporal displacement rate for a prototype and a scaled model results in similitude of the time-dependent normalized bubble size, growth rates and interfacial accelerations for different fluid conditions. For vapor bubble growth in a superheated liquid, it is shown that inertial controlled bubble growth occurs when D=0 and thermally controlled bubble growth occurs when D=1 .

dynamical system scaling, SMR, bubble dynamics, DS↗
DOE OSTI2018

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Decarburization

In a previous study by the authors (Rout et al. in Metall Mater Trans B 49:537–557, 2018), a dynamic model for the BOF, employing the concept of multizone kinetics was developed. In the current study, the kinetics of decarburization reaction is investigated. The jet impact and slag–metal emulsion zones were identified to be primary zones for carbon oxidation. The dynamic parameters in the rate equation of decarburization such as residence time of metal drops in the emulsion, interfacial area evolution, initial size, and the effects of surface-active oxides have been included in the kinetic rate equation of the metal droplet. A modified mass-transfer coefficient based on the ideal Langmuir adsorption equilibrium has been proposed to take into account the surface blockage effects of SiO{sub 2} and P{sub 2}O{sub 5} in slag on the decarburization kinetics of a metal droplet in the emulsion. Further, a size distribution function has been included in the rate equation to evaluate the effect of droplet size on reaction kinetics. The mathematical simulation indicates that decarburization of the droplet in the emulsion is a strong function of the initial size and residence time. A modified droplet generation rate proposed previously by the authors has been used to estimate the total decarburization rate by slag–metal emulsion. The model’s prediction shows that about 76 pct of total carbon is removed by reactions in the emulsion, and the remaining is removed by reactions at the jet impact zone. The predicted bath carbon by the model has been found to be in good agreement with the industrially measured data.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Early stage oxynitridation process of Si(001) surface by NO gas: Reactive molecular dynamics simulation study

Initial stage of oxynitridation process of Si substrate is of crucial importance in fabricating the ultrathin gate dielectric layer of high quality in advanced MOSFET devices. The oxynitridation reaction on a relaxed Si(001) surface is investigated via reactive molecular dynamics (MD) simulation. A total of 1120 events of a single nitric oxide (NO) molecule reaction at temperatures ranging from 300 to 1000 K are statistically analyzed. The observed reaction kinetics are consistent with the previous experimental or calculation results, which show the viability of the reactive MD technique to study the NO dissociation reaction on Si. We suggest the reaction pathway for NO dissociation that is characterized by the inter-dimer bridge of a NO molecule as the intermediate state prior to NO dissociation. Although the energy of the inter-dimer bridge is higher than that of the intra-dimer one, our suggestion is supported by the ab initio nudged elastic band calculations showing that the energy barrier for the inter-dimer bridge formation is much lower. The growth mechanism of an ultrathin Si oxynitride layer is also investigated via consecutive NO reactions simulation. The simulation reveals the mechanism of self-limiting reaction at low temperature and the time evolution of the depth profile of N and O atoms depending on the process temperature, which would guide to optimize the oxynitridation process condition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1994

Observational evidence and dynamical interpretation of the total ozone variations in the equatorial region

The total ozone amount is sensitive to the general circulation changes in the lower stratosphere due to the photochemically inactive nature of ozone there. In the equatorial region, such circulation changes arise from the quasi-biennial oscillation (QBO) of the stratospheric zonal wind and the El Nino/Southern Oscillation (ENSO). In the first half of this study we present observational results of the long-term variations in the equatorial ozone field using the 11 year Total Ozone Mapping Spectrometer (TOMS) data, by paying special attention to the longitudinal structure. In the latter half we try to understand quantitatively these variations by using a simple mechanistic relationship. We hypothesis that the ozone modulating processes are attributable to two dynamical effects, the advection effect and tropopause effect, owing to the strong vertical stratification of ozone existing just above the tropopause. The advection effect comes from the vertical motion which maintains the temperature structure, compensating for the radiative damping. The tropopause effect is associated with the altitude change of the tropopause. The total ozone variations in the tropics is discussed in terms of these two dynamical processes with the aid of mechanistic equations combined with the wind and sea surface temperature (SST) observations. The interactions between tropical and extratropical latitudes are beyond the scope of this study. Photochemical effects are also neglected. Details of this study are given by Shiotani (1992) and Hasebe (1992).

Shiotani, Masato↗
DOE OSTI2021

Probing polarization dynamics at specific domain configurations: Computer-vision based automated experiment in piezoresponse force microscopy

Topological defects in ferroelectric materials have attracted much attention due to the emergence of conductive, ferroic, and magnetic functionalities. However, many topological configurations dynamically evolve during the switching processes, making them a challenge to characterize via traditional techniques. Here, we implement an automated experimentation approach for the exploration of functional properties in BiFeO 3 thin films. Specifically, we visualize the ferroelectric domain structures via single frequency piezoresponse force microscopy and implement a computer vision-based algorithm to discover features of interest at which spectroscopic measurements are taken. Subsequently, we employ dimensionality reduction techniques to reveal characteristic polarization behaviors at these features. This approach can be extended to other spectroscopies and modalities to probe only specific features of interest, ultimately enabling dynamical processes in ferroelectrics to be studied.

36 MATERIALS SCIENCE↗
DOE OSTI2026

String-Breaking Dynamics in Quantum Adiabatic and Diabatic Processes

Confinement prohibits isolation of color charges, e.g., quarks, in nature via a process called string breaking : the separation of two charges results in an increase in the energy of a color flux, visualized as a string, connecting those charges. Eventually, creating additional charges is energetically favored, hence breaking the string. Such a phenomenon can be probed in simpler models, including quantum spin chains, enabling enhanced understanding of string-breaking dynamics. A challenging task is to understand how string breaking occurs as time elapses, in an out-of-equilibrium setting. This work establishes the phenomenology of dynamical string breaking induced by a gradual increase of string tension over time. It, thus, goes beyond instantaneous quench processes and enables tracking the real-time evolution of strings in a more controlled setting. We focus on domain-wall confinement in a family of quantum Ising chains. Our results indicate that, for sufficiently short strings and slow evolution, string breaking can be described by the transition dynamics of a two-state quantum system akin to a Landau-Zener process. For longer strings, a more intricate spatiotemporal pattern emerges: the string breaks by forming a superposition of bubbles (domains of flipped spins of varying sizes), which involve highly excited states. We finally demonstrate that string breaking driven only by quantum fluctuations can be realized in the presence of sufficiently long-ranged interactions. This work holds immediate relevance for studying string breaking in quantum-simulation experiments.

Ising model↗
DOE OSTI2018

Towards nanoscale electrical measurements in liquid by advanced KPFM techniques: a review

Fundamental mechanisms of energy storage, corrosion, sensing, and multiple biological functionalities are directly coupled to electrical processes and ionic dynamics at solid–liquid interfaces. In many cases, these processes are spatially inhomogeneous taking place at grain boundaries, step edges, point defects, ion channels, etc and possess complex time and voltage dependent dynamics. This necessitates time-resolved and real-space probing of these phenomena. In this review, we discuss the applications of force-sensitive voltage modulated scanning probe microscopy (SPM) for probing electrical phenomena at solid–liquid interfaces. We first describe the working principles behind electrostatic and Kelvin probe force microscopies (EFM & KPFM) at the gas–solid interface, review the state of the art in advanced KPFM methods and developments to (i) overcome limitations of classical KPFM, (ii) expand the information accessible from KPFM, and (iii) extend KPFM operation to liquid environments. We briefly discuss the theoretical framework of electrical double layer (EDL) forces and dynamics, the implications and breakdown of classical EDL models for highly charged interfaces or under high ion concentrations, and describe recent modifications of the classical EDL theory relevant for understanding nanoscale electrical measurements at the solid–liquid interface. We further review the latest achievements in mapping surface charge, dielectric constants, and electrodynamic and electrochemical processes in liquids. Lastly, we outline the key challenges and opportunities that exist in the field of nanoscale electrical measurements in liquid as well as providing a roadmap for the future development of liquid KPFM.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Automated identification of dominant physical processes

The identification of processes that locally and approximately dominate dynamical system behavior has enabled significant advances in understanding and modeling nonlinear differential dynamical systems. Conventional methods of dominant process identification involve piecemeal and ad hoc (non-rigorous, informal) scaling analyses to identify dominant balances of governing equation terms and to delineate the spatiotemporal boundaries (boundaries in space and/or time) of each dominant balance. For the first time, we present an objective global measure of the fit of dominant balances to observations, which is desirable for automation, and was previously undefined. Furthermore, we propose a formal definition of the dominant balance identification problem in the form of an optimization problem. Here, we show that the optimization can be performed by various machine learning algorithms, enabling the automatic identification of dominant balances. Our method is algorithm agnostic and it eliminates reliance upon expert knowledge to identify dominant balances which are not known beforehand.

42 ENGINEERING↗
DOE OSTI2017

Disconnecting structure and dynamics in glassy thin films

Nanometrically thin glassy films depart strikingly from the behavior of their bulk counterparts. We investigate whether the dynamical differences between a bulk and thin film polymeric glass former can be understood by differences in local microscopic structure. Machine learning methods have shown that local structure can serve as the foundation for successful, predictive models of particle rearrangement dynamics in bulk systems. By contrast, in thin glassy films, we find that particles at the center of the film and those near the surface are structurally indistinguishable despite exhibiting very different dynamics. Next, we show that structure-independent processes, already present in bulk systems and demonstrably different from simple facilitated dynamics, are crucial for understanding glassy dynamics in thin films. Our analysis suggests a picture of glassy dynamics in which two dynamical processes coexist, with relative strengths that depend on the distance from an interface. Here, one of these processes depends on local structure and is unchanged throughout most of the film, while the other is purely Arrhenius, does not depend on local structure, and is strongly enhanced near the free surface of a film.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Report on High-Fidelity Dynamic Modeling of a Coal-Fired Steam Power Plant

As a result of the growth of renewables including solar and wind energy with fluctuating production, fossil fuel power plants are being required to cycle between high and low power production. This cycling is both at a greater frequency and over a wider range than in the past. In many cases, power plants are not designed for this type of cycling operation but can nonetheless endure these challenging operation requirements under the right conditions. In this project, optimal solution for enhanced flexible operations are being investigated using model based estimation and control techniques. To support the development of model-based estimator and model-based controls at GE Global Research, GE Steam Power configured a dynamic model using a reference steam plant design including the boiler, turbine, and water/steam conditioning systems as well as the controls needed for plant cycling with stability and reliability. The dynamic model was built using the APROS® software from VTT, and then calibrated to multiple load conditions from full load (100%TMCR) to partial loads (75%TMCR, 50%TMCR and 25%TMCR) based on internally developed steady state heat balance models at the unit level. These internal heat balance models are based on first principles and extensive engineering experiences from GE Steam Power as an OEM and a services provider. This topical report presents the structure of the unit level dynamic model, the tuning process, and representative simulation results from typical load cycling simulations using the dynamic model.

01 COAL, LIGNITE, AND PEAT↗