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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 37 records · Page 2

Use of simulated satellite radiances from a mesoscale numerical model to understand kinematic and dynamic processes

Techniques by which mesoscale numerical weather prediction model output and radiative transfer codes are combined to simulate the radiance fields that a given passive temperature/moisture satellite sensor would see if viewing the evolving model atmosphere are introduced. The goals are to diagnose the dynamical atmospheric processes responsible for recurring patterns in observed satellite radiance fields, and to develop techniques to anticipate the ability of satellite sensor systems to depict atmospheric structures and provide information useful for numerical weather prediction (NWP). The concept of linking radiative transfer and dynamical NWP codes is demonstrated with time sequences of simulated radiance imagery in the 24 TIROS vertical sounder channels derived from model integrations for March 6, 1982.

Kalb, Michael↗

A systematic comparison of machine learning methods for modeling of dynamic processes applied to combustion emission rate modeling

Ten established, data-driven dynamic algorithms are surveyed and a practical guide for understanding these methods generated. Existing Python programming packages for implementing each algorithm are acknowledged, and the model equations necessary for prediction are presented. A case study on a coal-fired power plant’s NO x emission rates is performed, directly comparing each modeling method’s performance on a mutual system. Each model is evaluated by its root mean squared error (RMSE) on out-of-sample future horizon predictions. Optimal hyperparameters are identified using either an exhaustive search or genetic algorithm. The top five model structures of each method are used to recursively predict future NO x emission rates over a 60-step time horizon. The RMSE at each future timestep is determined, and the recursive output prediction trends compared against measurements in time. The GRU neural network is identified as the best candidate for representing the system, demonstrating accurate and stable predictions across the future horizon by all considered models, while satisfactory performance was observed in several of the ARX/NARX formulations. Finally, these efforts have contributed 1) a concise resource of multiple proven dynamic machine learning methods, 2) a practical guide explaining the use of these methods, effectively lowering the “barrier-to-entry” of deploying such models in control systems, 3) a comparison study evaluating each method’s performance on a mutual system, 4) demonstration of accurate multi-timestep emissions modeling suitable for systems-level control, and 5) generalizable results demonstrating the suitability of each method for prediction over a multi-step future horizon to other complex dynamic systems.

42 ENGINEERING↗

Optimizing Sub-Sampled STEM Imaging for Beam Sensitive Materials and Dynamic Processes

The goal of this research is to quantify how sub-sampling and inpainting (broadly classified as methods in Artificial Intelligence) can be used to obtain the highest resolution images under any experimental conditions, and to use this to reproducibly control dynamic in-situ processes in gases and liquids on the nanoscale. As atomic diffusion under non-extreme conditions is typically in the sub-ms time domain, the ability to use this sub-sampling approach to reduce the effect of the electron beam and to speed-up the imaging process represents the optimum combination of spatial and temporal resolution achievable in a conventional microscope. This LDRD funding demonstrated the feasibility of imaging dynamics in complex energy systems using this methodology by establishing the optimum experimental sampling conditions (optimizing the number of pixels, speed, contrast and resolution) for each experiment. For in-situ liquid cell experiments this analysis shows that simply by distributing the same dose and dose rate maximally in space and time, the kinetics for radiolysis products can be modified significantly. The final stage of this work, i.e. the experimental demonstration of its use for nucleation and growth, was severely curtailed by issues with COVID19. However, all the experiments are designed and currently underway, with the goal to complete the final demonstration and publication as soon as safety concerns for laboratory access are met.

36 MATERIALS SCIENCE↗

On the interconnection of dynamic processes in the lower thermosphere with meteorological phenomena in the tropostratosphere

Nowadays the atmosphere is considered a single dynamic system governed by inner and other factors, the separate layers (troposphere, strato-mesosphere, thermosphere) of which are in a state of interaction though they differ physically from one another in thermal stratification and energetic processes. Observational data of thermodynamic parameter connections in these layers height range are presented. The interconnection between the temperature field disturbances in the tropo-stratosphere and the dynamic regime in the lower thermosphere in winter and summer is defined as revealed by observational data.

Fakhrutdinova, A. N.↗

Dynamical processes

The techniques used to observe the middle atmosphere; the zonally-averaged and eddy structure of the middle atmosphere; seasonal variations and interannual variability; theoretical understanding of the middle atmospheric circulation are discussed. Recent satellite-based observational studies of stratospheric transport process, as revealed by the behavior of constituents and of potential vorticity (a dynamical tracer) are reviewed. The theory of global transport and its representation in transport models is discussed.

Plumb, R. A.↗

Clear air turbulence as a response to meso- and synoptic-scale dynamic processes

The paper presents both the Roach equation for the rate of energy dissipation due to clear air turbulence and Richardson number tendencies in isentropic coordinates and examines the implications of these formulations to determine whether there is a dynamic interdependence between Ri and the nonturbulent deformation processes. The equation representing the ln(Ri) tendency is applied diagnostically to grids from an isentropic analysis of archived soundings. The evolution of the Richardson number fields over 12-hour time periods is examined using a mechanistic model. It is suggested that the application of the Roach equation for the turbulent dissipation rate should have a more restricted use. Analyses of the meso-alpha scale Richardson number and of the Richardson number tendency fields reveal a phase relationship consistent with the theoretical predictions.

Keller, John L.↗

Gas-rich meteorites - Probes for particle environment and dynamical processes in the inner solar system

Although the asteroids are the most plausible candidates for the parent bodies of gas-rich meteorites, dynamical theories have been adduced which favor a cometary origin in certain cases, and some recent studies have indicated that, in the case of gas-rich carbonaceous chondrites, the solar flare irradiation of grains may have occurred prior to the formation of parent bodies. Attention is presently given to advances that have been made in the multidisciplinary studies, encompassing petrography, chemistry, and radiation effects, of the gas-rich meteorites. An evaluation is undertaken of the present understanding of gas-rich meteorite origin and evolution.

Goswami, J. N.↗

Quantum Simulation of Molecular Dynamics Processes─A Benchmark Study Using a Classical Simulator and Present-Day Quantum Hardware

Here, we explore how the fundamental problems in quantum molecular dynamics can be modeled using classical simulators (emulators) of quantum computers and the actual quantum hardware available to us today. The list of problems we tackle includes propagation of a free wave packet, vibration of a harmonic oscillator, and tunneling through a barrier. Each of these problems starts with the initial wave packet setup. Although Qiskit provides a general method for initializing wave functions, in most cases it generates deep quantum circuits. While these circuits perform well on noiseless simulators, they suffer from excessive noise on quantum hardware. To overcome this issue, we designed a shallower quantum circuit for preparing a Gaussian-like initial wave packet, which improves the performance of real hardware. Next, quantum circuits are implemented to apply the kinetic and potential energy operators for the evolution of a wave function over time. The results of our modeling on classical emulators of quantum hardware agree perfectly with the results obtained using the traditional (classical) methods. This serves as a benchmark and demonstrates that the quantum algorithms and Qiskit codes we developed are accurate. However, the results obtained on the actual quantum hardware available today, such as IBM’s superconducting qubits and IonQ’s trapped ions, indicate large discrepancies due to hardware limitations. This work highlights both the potential and challenges of using quantum computers to solve fundamental quantum molecular dynamics problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Digital simulation of dynamic processes in radiometer systems

The development and application of several computer programs for simulating different classes of microwave radiometers are described. The programs are dynamic in nature, and they may be used to determine the instantaneous behavior of system variables as a function of time. Some of the programs employ random variable models in the simulations so that the statistical nature of the results may be investigated. The programs have been developed to utilize either the Continuous System Modeling Program or the Advanced Continuous System Language. The validity of most of the programs was investigated using statistical tests, and the results show excellent correlation with theoretical predictions. The programs are currently being used in the investigation of new design techniques for microwave radiometers.

Stanley, W. D.↗

Interannual Variations in Tropical Upper-Tropospheric Humidity: Understanding Tropical Convective and Dynamical Processes

Uncertainty remains as to what extent variability in mid to upper tropospheric moisture, especially over the tropics, behaves as constant relative humidity during interannual climate variations associated with ENSO. Systematic variations in HIRS 6.7 micron and MLS 205 GHz suggest that dry subtropical regions evolving during warm SST events depress relative humidity, but the interpretation of these events is still uncertain. Additional specific concerns have to do with regional signatures of convective processes: How does the origin of dry air in the eastern subtropical N. Pacific differ in ENSO warm versus cold years? The dynamics of Rossby wave forcing by convective heating, subtropical jet stream dynamics, and dynamics driven subsidence all come into play here. How variations in precipitating ice hydrometeors from tropical anvils relate to variations in UTH is also a subject of debate? Do variations in precipitating ice, cloud cover and water vapor behavior show any support for the Iris-hypothesis mechanism? Here we examine historical records of SSM/T-2 data to gain a better physical understanding of the effects of deep convective moisture sources and dynamically-induced vertical circulations on UTH. These high frequency microwave measurements (183.3 GHz) take advantage of far less sensitivity to cloud hydrometeors than the 6.7 micron data to yield a record of upper tropospheric relative humidity. Furthermore, signatures of precipitating ice from these channels facilitate comparisons to TRMM hydrometeors detected by radar. In analyzing these observations, we isolate water vapor and temperature change components that affect brightness temperatures and the inferred relative humidity. Trajectory modeling is also used to understand interannual humidity anomalies in terms of outflow fbm convective regions and history of diabatically-driven sinking which modifies relative humidity.

Robertson, Franklin R.↗

Time-resolved electrical potential pump – X-ray photoelectron spectroscopy probe developments for investigating dynamic processes occurring at electrochemical interfaces

Electrode–electrolyte interfaces are of critical importance in several fields, including renewable energy, corrosion, and environmental chemistry. However, investigating these interfaces under operational conditions poses considerable challenges due to the limitations of the instrumentation employed. While recent advancements in in situ and operando techniques have enhanced our comprehension of the steady-state properties of solid-liquid interfaces, the dynamic behaviors of these systems remain inadequately explored. This study introduces a time-resolved X-ray photoelectron spectroscopy (XPS) technique designed to capture transient reaction intermediates and charging dynamics at electrified interfaces. The presented proof-of-principle study demonstrates that electrochemical processes, represented by an equivalent electrical circuit (EEC) model, can be probed and understood using square wave voltage pulses of a potentiostat synchronized to the modified data acquisition of an XPS setup. This method offers a valuable alternative to traditional pump–probe techniques, facilitating the investigation of a broader range of electrochemical systems. A dedicated software package for analyzing time- and energy-resolved XPS with a focus on extracting parameters of the EEC is geared towards benchmarking different EECs in future real-world electrochemical experiments.

Electrochemistry↗

Mars - Evidence for dynamic processes from Mariners 6 and 7.

Detailed study of the evolution of the Martian surface on the basis of an analysis of Mariner 6 and 7 photographs of certain features of the equatorial region of Mars. It is concluded that the planet Mars is characterized by an internal dynamic activity on the scale of the interior of the African plate. Cited as evidence are scarps resembling fault scarps in Meridiani Sinus and on the Hellas-Hellespontus border. Ridges associated with craters on the boundary of Hellas and Hellespontus are most easily explained by volcanic activity, and at least some of the associated craters may themselves be of volcanic origin. Ridges on the Hellas-Hellespontus border and part of the wall of Edom seem to bulge out into cratered swellings or domes. A sequence of events is worked out for different parts of Mars, and an attempt is made to develop a crude threefold geologic time scale. The sequence suggests that dynamic activity was confined neither to the earliest nor the latest periods of Martian history.

Elston, W. E.↗

A Kinetic Model-Driven Techno-Economic Analysis of Plastic Pyrolysis: Linking Process Dynamics to Economic Viability

This study employs a kinetic model integrated into Aspen Plus to predict pyrolysis product distribution under various conditions. A techno-economic assessment calculated the minimum selling price (MSP) of pyrolysis oil under different operating conditions for the baseline capacity of 100 kta, and across eight processing capacities ranging from 30 to 150 kta. The lowest MSP under the baseline capacity is estimated at $\$$420/ton, which is 33% lower than the 2023 average US crude oil price ($\$$74.6/bbl, equivalent to $\$$634/ton based on the density of pyrolysis oil). Under Monte Carlo simulation, accounting for variability in key economic and technical parameters, the mean MSP is estimated at $\$$1137/ton. The economic viability depends on feedstock price remaining below $\$$320/ton, defining the break-even feedstock price threshold. Sensitivity analysis further identifies capital investment and transportation cost as key economic drivers. Capacities beyond 90 kta show limited economies of scale benefits. Reducing product storage time cuts capital costs by 7% but raises operational risk. Uncertainty analysis suggests the economic feasibility of pyrolysis oil is unlikely to compete with crude oil without policy incentives.

petrochemicals↗

High-speed X-ray study of process dynamics caused by surface features during continuous-wave laser polishing

During high-speed X-ray imaging of laser surface polishing experiments of specimens of 316L stainless steel at Argonne National Lab's Advanced Photon Source, it was discovered that the induced keyhole changes shape and dimensions while crossing an engineered surface feature without altering process parameters. It was observed that the post-surface feature keyhole was deeper than that of the pre surface feature keyhole. Here, this work reports on the first in-situ observation of the effect of localized surface geometry on underlying melt pool behavior. This has implications for defect formation mechanisms during laser melting processes that rely on melt pool geometry.

42 ENGINEERING↗

Large-scale gas dynamical processes affecting the origin and evolution of gaseous galactic halos

Observations of galactic halo gas are consistent with an interpretation in terms of the galactic fountain model in which supernova heated gas in the galactic disk escapes into the halo, radiatively cools and forms clouds which fall back to the disk. The results of a new study of several large-scale gas dynamical effects which are expected to occur in such a model for the origin and evolution of galactic halo gas will be summarized, including the following: (1) nonequilibrium absorption line and emission spectrum diagnostics for radiatively cooling halo gas in our own galaxy, as well the implications of such absorption line diagnostics for the origin of quasar absorption lines in galactic halo clouds of high redshift galaxies; (2) numerical MHD simulations and analytical analysis of large-scale explosions ad superbubbles in the galactic disk and halo; (3) numerical MHD simulations of halo cloud formation by thermal instability, with and without magnetic field; and (4) the effect of the galactic fountain on the galactic dynamo.

Shapiro, Paul R.↗

The Role of Turbulence in Chemical and Dynamical Processes in the Near-Field Wake of Subsonic Aircraft

During this grant, covering the period from September 1998 to December 2001, we continued the investigation of the role of turbulent mixing in the wake of subsonic aircraft initiated in 1994 for NASA's Atmospheric Effects of Aviation Project. The goal of the research has been to provide sufficient understanding and quantitative analytical capability to assess the dynamical, chemical, and microphysical interactions in the near-field wake that have the greatest potential to influence the global atmospheric impact of the projected fleet of subsonic aircraft. Through large-eddy simulations we have shown that turbulence in the early wake dynamics can have a strong effect on both the ice microphysics of contrail evolution and on wake chemistry. The wake vortex dynamics are the primary determinant of the vertical extent of the contrail; this together with the local wind shear largely determines the horizontal extent. The fraction of the initial ice crystals surviving the wake vortex dynamics, their spatial distribution, and the ice mass distribution are all sensitive to the aircraft type, assumed initial ice crystal number, and ambient humidity and turbulence conditions. Our model indicates that there is a significant range of conditions for which a smaller aircraft such as a B737 produces as significant a persistent contrail as a larger aircraft such as a B747, even though the latter consumes almost five times as much fuel. Large-eddy simulations of the near wake of a B757 provided a fine-grained chemical-dynamical representation of simplified NOx - HOx chemistry in wakes of ages from a few seconds to several minutes. By sampling the simulated data in a manner similar to that of in situ aircraft measurements it was possible to provide a likely explanation for a puzzle uncovered in the 1996 SUCCESS flight measurements of OH and HO2 The results illustrate the importance of considering fluid dynamics effects in interpreting chemistry results when mixing rates and species fluctuations are large, and demonstrate the feasibility of using 3D unsteady LES with coupled chemistry to study such phenomena.

Lewellen, D. C.↗

Insight into the Physical and Dynamical Processes that Control Rapid Increases in Total Flash Rate

Rapid increases in total lightning (also termed "lightning jumps") have been observed for many decades. Lightning jumps have been well correlated to severe and hazardous weather occurrence. The main focus of lightning jump work has been on the development of lightning algorithms to be used in real‐time assessment of storm intensity. However, in these studies it is typically assumed that the updraft "increases" without direct measurements of the vertical motion, or specification of which updraft characteristic actually increases (e.g., average speed, maximum speed, or convective updraft volume). Therefore, an end‐to‐end physical and dynamical basis for coupling rapid increases in total flash rate to increases in updraft speed and volume must be understood in order to ultimately relate lightning occurrence to severe storm metrics. Herein, we use polarimetric, multi‐Doppler, and lightning mapping array measurements to provide physical context as to why rapid increases in total lightning are closely tied to severe and hazardous weather.

Schultz, Christopher J.↗