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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 55 records · Page 3

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.↗

Economy analysis of second-life battery in wind power systems considering battery degradation in dynamic processes: Real case scenarios

Energy storage system plays an important role in modern power systems for mitigating the variation and intermittency of renewable energy sources. The Lithium-ion battery is currently the most widely used solution for energy storage system. However, its high cost is considered as one of the major barriers hampering the integration of renewable energy and the adoption of electric vehicles. Reusing electric vehicle batteries seems a promising solution to the aforementioned problem. Based on a dynamic degradation model of Lithium-ion batteries, this paper first compares the profits that second-life and fresh batteries can bring to the wind farm. Model predictive control is adopted to solve an hourly optimal wind scheduling problem and maximize the profit of wind farm owner. Here, the optimal size of battery is determined and then the comparison of second-life and fresh batteries is conducted taking the battery degradation, the profit of the wind farm owner, and various remaining capacities of battery into account. Two case studies in USA and Denmark are conducted and the analysis shows that given the current prices of wind energy and Lithium-ion batteries, reusing batteries is not worthwhile for the studied wind farms, but it may outperform fresh batteries in the future if the wind energy price decreases much faster than the battery price.

17 WIND ENERGY↗

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.↗

Controlling under-actuated robot arms using a high speed dynamics process

The invention controls an under-actuated manipulator by first obtaining predetermined active joint accelerations of the active joints and the passive joint friction forces of the passive joints, then computing articulated body qualities for each of the joints from the current positions of the links, and finally computing from the articulated body qualities and from the active joint accelerations and the passive joint forces, active joint forces of the active joints. Ultimately, the invention transmits servo commands to the active joint forces thus computed to the respective ones of the joint servos. The computation of the active joint forces is accomplished using a recursive dynamics algorithm. In this computation, an inward recursion is first carried out for each link, beginning with the outermost link in order to compute the residual link force of each link from the active joint acceleration if the corresponding joint is active, or from the known passive joint force if the corresponding joint is passive. Then, an outward recursion is carried out for each link in which the active joint force is computed from the residual link force if the corresponding joint is active or the passive joint acceleration is computed from the residual link force if the corresponding joint is passive.

Jain, Abhinandan↗

Dynamic processes in transient phases during self-assembly of organic semiconductor thin films

Understanding and manipulating crystallization processes has been an important challenge for solution-processed organic thin films, both for fundamental studies and for fabricating thin films with near-intrinsic charge transport properties. We report an in situ X-ray scattering study of the crystallization of 2-decyl-7-phenyl-[1]benzothieno[3,2-b][1]benzothiophene (Ph-BTBT-C 10 ) during its deposition from solution. At temperatures modestly below the smectic-E/crystalline phase boundary, the crystallization goes through a transient liquid crystal state before reaching the final stable crystalline phase. Significant dynamics occur in the first few seconds of the transition, which are observed through fluctuations in the X-ray scattering intensity, and are correlated with the time interval that the transient thin film coexists with the evaporating solvent. The transition to the stable crystalline phase takes minutes or even hours under these conditions, which may be a result of the asymmetry of the molecule. Transient phases are of potential interest for applications, since they can act as a route to self-assembly of organic thin films. However, our observations show that the long-lived monolayer-stacked intermediate state does not act as a template for the bilayer-stacked crystalline phase. Rather, the grain structure is replaced through nucleation, where the nucleation free-energy barrier is related to a potential barrier that prevents molecules to flip their long axis by 180°.

36 MATERIALS SCIENCE↗

Experimental Studies of the Distribution of Minor Constituents and Dynamic Processes in the Atmosphere

Minor constituents play an important role in atmospheric chemistry and serve as tracers in transport and mixing studies in tropospheric-stratospheric exchange processes. Measurements of trace gases are essential to an understanding of the mechanisms by which minor constituents originating in the troposphere, both naturally occurring and anthropogenic, reach the stratosphere. Many of these gases are sources of species directly involved in the chemistry of ozone depletion in the stratosphere and ozone generation in the troposphere. Some contribute to the warming of the atmosphere. Data on tracer distributions are important in the development of models for predicting photochemical effects in the stratosphere and troposphere. Data on atmospheric dynamics are important for the development of models for predicting the transport of photochemical species and for characterizing the nature of stratospheric motions.

Goodman, Jindra↗

$\mathrm{RADICAL}$-Pilot and $\mathrm{PMIx}$/$\mathrm{PRRTE}$: Executing Heterogeneous Workloads at Large Scale on Partitioned $\mathrm{HPC}$ Resources

Execution of heterogeneous workflows on high-performance computing (HPC) platforms present unprecedented resource management and execution coordination challenges for runtime systems. Task heterogeneity increases the complexity of resource and execution management, limiting the scalability and efficiency of workflow execution. Re-source partitioning and distribution of tasks execution over portioned re-sources promises to address those problems but we lack an experimental evaluation of its performance at scale. Here this paper provides a performance evaluation of the Process Management Interface for Exascale (PMIx) and its reference implementation PRRTE on the leadership-class HPC plat-form Summit, when integrated into a pilot-based runtime system called RADICAL-Pilot. We partition resources across multiple PRRTE Distributed Virtual Machine (DVM) environments, responsible for launching tasks via the PMIx interface. We experimentally measure the work-load execution performance in terms of task scheduling/launching rate and distribution of DVM task placement times, DVM startup and termination overheads on the Summit leadership-class HPC platform. Integrated solution with PMIx/PRRTE enables using an abstracted, standardized set of interfaces for orchestrating the launch process, dynamic process management and monitoring capabilities. It extends scaling capabilities allowing to overcome a limitation of other launching mechanisms (e.g., JSM/LSF). Explored different DVM setup configurations provide insights on DVM performance and a layout to leverage it. Our experimental results show that heterogeneous workload of 65,500 tasks on 2048 nodes, and partitioned across 32 DVMs, runs steady with resource utilization not lower than 52%. While having less concurrently executed tasks resource utilization is able to reach up to 85%, based on results of heterogeneous workload of 8200 tasks on 256 nodes and 2 DVMs.

97 MATHEMATICS AND COMPUTING↗

Modeling of Gas Dynamic Processes in the Interelectrode Gap of a Multielement Thermionic Electricity Generating Channel by Solving the Kinetic Equation

This work is devoted to the application of a numerical method of solving Boltzmann’s equation for modeling the behavior of radionuclides (Kr, Xe, Rb, Sr, Cs, Ba) in the cavity of the interelectrode gap of a multielement electricity generating channel. Modeling methods were developed and software system implemented in the course of this work. Calculations were performed for two structural arrangements: with uni- and bilateral extraction of radionuclides into the vacuum-cesium system. Data on the pressure and flow distributions were obtained. The krypton and xenon pressure near the collector as functions of their flow and the cesium gas pressure at the gap exits were determined computationally.

07 ISOTOPE AND RADIATION SOURCES↗

The evolution dynamical processes of Ural blocking through the lens of local finite-amplitude wave activity budget analysis

Understanding the formation and evolution mechanisms of Ural blocking (UB) is of great importance for the prediction of UB and relevant extremes in east Asia. Using the 6-hourly ERA-Interim reanalysis data, this study quantifies the conservative and nonconservative processes in the lifecycle of UB through the lens of the hybrid Eulerian-Lagrangian local finite-amplitude wave activity (LWA) diagnostics. It is found that (i) as a wave activity source, eddy heat flux works to not only initiate the UB, but also prevent the wave activity of the blocking from dispersing downstream---the key characteristic of blocking; (ii) both the wave propagation and wave advection mechanisms are indispensable for the evolution of UB, playing a tug-of-war on the downstream development of wave activity; (iii) Throughout the lifespan of UB, diabatic heating provides the most important damping mechanism for the wave activity both upstream and downstream; and (IV) irreversible PV mixing appears to compensate the eddy PV flux during the wave breaking stage of blocking.

Blocking, wave activity, eddy-mean flow interactio↗