Search NASA⌕ Search

SEARCH · Search NASA

Results for “dynamic processes”

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

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

At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

The ultrafast X-ray spectroscopic revolution in chemical dynamics

There have been rapid developments in short-pulse X-ray sources in the past two decades, which have enabled the study of nuclear and electronic dynamics by ultrafast X-ray spectroscopies with unprecedented time resolution ranging from nanoseconds to attoseconds. In this Perspective, we discuss some of the major achievements in the study of nuclear and electronic dynamics with X-ray pulses produced by high-harmonic, free-electron-laser and synchrotron sources. The particular dynamic processes probed by X-ray radiation highlighted in this Perspective are electronic coherences on attosecond to femtosecond timescales, chemical reactions, such as dissociations, and pericyclic ring-openings, spin-crossover dynamics, ligand-exchange dynamics and structural deformations in excited states. X-ray spectroscopic probing of chemical dynamics holds promising use for the future owing to the ongoing developments of new spectroscopies, such as four-wave mixing, and the continuous improvements in emerging laboratory-based, high-harmonic sources and large-scale, facility-based, free-electron lasers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Long-time integration of parametric evolution equations with physics-informed DeepONets

Ordinary and partial differential equations (ODEs/PDEs) play a paramount role in analyzing and simulating complex dynamic processes across all corners of science and engineering. In recent years machine learning tools are aspiring to introduce new effective ways of simulating such equations, however existing approaches are not able to reliably return stable and accurate predictions across long temporal horizons. We aim to address this challenge by introducing an effective framework for learning evolution operators that map random initial conditions to associated ODE/PDE solutions within a short time interval. Such operators can be parametrized by deep neural networks that are trained in an entirely self-supervised manner without requiring one to generate any paired input-output observations. Global long-time predictions across a range of initial conditions can be then obtained by iteratively evaluating the trained model using each prediction as the initial condition for the next evaluation step. Here, this introduces a new approach to temporal domain decomposition that is shown to be effective in performing accurate long-time simulations for a wide range of parametric ODE and PDE systems, from wave propagation, to reaction-diffusion dynamics and stiff chemical kinetics, introducing a new way of rapidly emulating non-equilibrium processes in science and engineering.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Transient modes of zeolite surface growth from 3D gel-like islands to 2D single layers

Zeolite crystallization occurs by multifaceted processes involving molecule attachment and nonclassical pathways governed by the addition of amorphous precursors. Here, we use scanning probe microscopy to monitor zeolite LTA crystallization in situ with a spatiotemporal resolution that captures dynamic processes in real time. We report a distinctive pathway involving the formation of gel-like islands from supersaturated solutions comprised of (alumino)silicate molecules. Three-dimensional assembly and evolution of these islands constitutes a unique mode of growth that differs from classical theories. Time-resolved imaging also reveals that growth can occur by (nearly) oriented attachment. At later stages of crystallization, a progressive transition to lower supersaturation shifts growth to a layered mechanism involving two-dimensional nucleation and spreading of layers. Here, we show that LTA crystallization occurs by multiple pathways, thereby reconciling putative hypotheses of growth mechanisms while also highlighting new modes of nonclassical crystallization that may prove relevant to other zeolites and related materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Dynamic SEM wear studies of tungsten carbide cermets

Dynamic friction and wear experiments were conducted in a scanning electron microscope. The wear behavior of pure tungsten carbide and composite with 6 and 15 weight percent cobalt binder was examined. Etching of the binder was done to selectively determine the role of the binder in the wear process. Dynamic experiments were conducted as the WC and bonded WC cermet surfaces were transversed by a 50 micron radiused diamond stylus. These studies show that the predominant wear process in WC is fracture initiated by plastic deformation. The wear of the etched cermets is similar to pure WC. The presence of the cobalt binder reduces both friction and wear. The cementing action of the cobalt reduces granular separation and promotes a dense polished layer because of its low shear strength film-forming properties. The wear debris generated from unetched surface is approximately the same composition as the bulk.

Brainard, W. A.↗
DOE OSTI2023

Modes and Mechanisms of Pacific Decadal-Scale Variability

The modes of Pacific decadal-scale variability (PDV), traditionally defined as statistical patterns of variance, reflect to first order the ocean's integration (i.e., reddening) of atmospheric forcing that arises from both a shift and a change in strength of the climatological (time-mean) atmospheric circulation. While these patterns concisely describe PDV, they do not distinguish among the key dynamical processes driving the evolution of PDV anomalies, including atmospheric and ocean teleconnections and coupled feedbacks with similar spatial structures that operate on different timescales. In this review, we synthesize past analysis using an empirical dynamical model constructed from monthly ocean surface anomalies drawn from several reanalysis products, showing that the PDV modes of variance result from two fundamental low-frequency dynamical eigenmodes: the North Pacific–central Pacific (NP-CP) and Kuroshio–Oyashio Extension (KOE) modes. Both eigenmodes highlight how two-way tropical–extratropical teleconnection dynamics are the primary mechanisms energizing and synchronizing the basin-scale footprint of PDV. While the NP-CP mode captures interannual- to decadal-scale variability, the KOE mode is linked to the basin-scale expression of PDV on decadal to multidecadal timescales, including contributions from the South Pacific.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1981

First results from the Nimbus 7 total ozone mapping spectrometer

The Total Ozone Mapping Spectrometer (TOMS) instrument was launched on the Nimbus 7 satellite in October 1978. This instrument is designed to measure spatial variations in the total ozone field. The employed technique is an extension of the Backscattered Ultraviolet (BUV) total ozone method. The TOMS instrument has an improved capability for detailed monitoring of total ozone. The obtained data appear to contain information about dynamical processes in the upper troposphere and the lower stratosphere. Investigations are being conducted to determine qualitatively the conditions, if any, where total ozone fails as a predictor for tropopause height. Quantitative relations between the dynamic parameters and total ozone are also being studied.

Krueger, A. J.↗
DOE OSTI2020

Microscopic theory of onset of decaging and bond-breaking activated dynamics in ultradense fluids with strong short-range attractions

We theoretically study thermally activated “in cage” elementary dynamical processes that precede full structural relaxation in ultra-dense particle liquids interacting via strong short range attractive forces. The analysis is based on a microscopic theory formulated at the particle trajectory level built on the dynamic free energy concept and an explicit treatment of how attractive forces control the formation and lifetime of physical bonds. Mean time scales for bond breaking, the early stage of cage escape, and non-Fickian displacement by a fixed amount are analyzed in the repulsive glass, bonded repulsive (attractive) glass, fluid, and dense gel regimes. The theory predicts a strong length-scale-dependent growth of these time scales with attractive force strength at fixed packing fraction, a much weaker slowing down with density at fixed attraction strength, and a strong decoupling of the shorter bond breaking time with the other two time scales that are controlled mainly by perturbed steric caging. All results are in good accord with simulations, and additional testable predictions are made. In conclusion, the classic statistical mechanical projection approximation of replacing all bare attractive and repulsive forces with a single effective force determined by pair structure incurs major errors for describing processes associated with thermally activated escape from transiently localized states.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Mesoscopic Adaptive Resolution Scheme toward Understanding of Interactions between Sickle Cell Fibers

Understanding of intracellular polymerization of sickle hemoglobin (HbS) and subsequent interaction with the membrane of a red blood cell (RBC) is important to predict the altered morphologies and mechanical properties of sickle RBCs in sickle cell anemia. However, modeling the integrated processes of HbS nucleation, polymerization, HbS fiber interaction, and subsequent distortion of RBCs is challenging as they occur at multispatial scales, ranging from nanometers to micrometers. To make progress toward simulating the integrated processes, we propose a hybrid HbS fiber model, which couples fine-grained and coarse-grained HbS fiber models through a mesoscopic adaptive resolution scheme (MARS). To this end, we apply a microscopic model to capture the dynamic process of polymerization of HbS fibers, while maintaining the mechanical properties of polymerized HbS fibers by the mesoscopic model, thus providing a means of bridging the subcellular and cellular phenomena in sickle cell disease. At the subcellular level, this model can simulate HbS polymerization with preexisting HbS nuclei. At the cellular level, if combined with RBC models, the generated HbS fibers could be applied to study the morphologies and membrane stiffening of sickle RBCs. One important feature of the MARS is that it can be easily employed in other particle-based multiscale simulations where a dynamic coarse-graining and force-blending method is required. As demonstrations, we first apply the hybrid HbS fiber model to simulate the interactions of two growing fibers and find that their final configurations depend on the orientation and interaction distance between two fibers, in good agreement with experimental observations. We also model the formation of fiber bundles and domains so that we explore the mechanism that causes fiber branching.

Biophysics↗
NASA NTRS1975

Dynamic SEM wear studies of tungsten carbide cermets

Dynamic friction and wear experiments were conducted in a scanning electron microscope. The wear behavior of pure tungsten carbide and composite with 6 and 15 weight percent cobalt binder was examined, and etching of the binder was done to selectively determine the role of the binder in the wear process. Dynamic experiments were conducted as the tungsten carbide (WC) and bonded WC cermet surfaces were transversed by a 50 micron radiused diamond stylus. These studies show that the predominant wear process in WC is fracture initiated by plastic deformation, and the wear of the etched cermets is similar to pure WC. The presence of the cobalt binder reduces both friction and wear. The cementing action of the cobalt reduces granular separation, and promotes a dense polished layer because of its low shear strength film-forming properties. The wear debris generated from unetched surface is approximately the same composition as the bulk.

Brainard, W. A.↗
DOE OSTI2025

Comprehensive Analysis of the Relative Dispersion of Droplet-Size Distributions and Their Relationships to Key Physical Fog Processes Under Different Aerosol Conditions and Evolutionary Stages

The relative dispersion of cloud and fog droplets has significant impacts on aerosol indirect effects, radiative transfer, and microphysical processes. However, previous studies have been mostly concerned with clouds, with limited studies on fog, particularly those that examine the combined influences of all key physical processes and their roles during fog evolution. As such, this study aims to conduct a comprehensive investigation by examining the relationships between relative dispersion and other microphysical variables, as well as the underlying microphysical and dynamic processes, based on field fog campaigns in polluted and clean conditions. In polluted fog, droplet concentrations are higher, leading to smaller droplets and increased dispersion. The correlation between dispersion and droplet volume-mean radius is positive in the polluted fog, but shifts to negative in clean fog. Here, we attribute the difference to various microphysical processes like aerosol activation, condensation, collision-coalescence, and entrainment-mixing. In polluted fog, high aerosol concentrations, low supersaturations, and strong turbulence (entrainment-mixing) provide suitable conditions for the simultaneous occurrence of droplet condensation and aerosol activation, resulting in a positive correlation between dispersion and volume-mean radius, especially during the fog formation stage. In contrast, during the mature stage in clean fog, condensation is dominant with weak aerosol activation leading to a negative correlation between relative dispersion and volume-mean radius. The collision-coalescence process is more active in the mature stage, increasing radii and leading to the negative correlation between dispersion and volume-mean radius. This result sheds new light on understanding the relative dispersion and mechanisms in fog under different aerosol backgrounds.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

BSE versus StarTrack: Implementations of new wind, remnant-formation, and natal-kick schemes in NBODY7 and their astrophysical consequences

As a result of their formation via massive single and binary stellar evolution, the masses of stellar-remnant black holes (BH) are subjects of great interest in this era of gravitational-wave detection from binary black hole (BBH) and binary neutron star merger events. In this work, we present new developments in the stellar-remnant formation and related schemes of the current N-body evolution program NBODY7. We demonstrate that the newly implemented stellar-wind and remnant-formation schemes in the stellar-evolutionary sector or BSE of the NBODY7 code, such as the “rapid” and the “delayed” supernova (SN) schemes along with an implementation of pulsational-pair-instability and pair-instability supernova (PPSN/PSN), now produce neutron star (NS) and BH masses that agree nearly perfectly, over large ranges of zero-age-main-sequence (ZAMS) mass and metallicity, with those from the widely recognised StarTrack population-synthesis program. We also demonstrate the new, recipe-based implementations of various widely debated mechanisms of natal kicks on NSs and BHs, such as “convection-asymmetry-driven”, “collapse-asymmetry-driven”, and “neutrino-emission-driven” kicks, in addition to a fully consistent implementation of the standard, fallback-dependent, momentum-conserving natal kick. All the above newly implemented schemes are also shared with the standalone versions of SSE and BSE. Furthermore, all these demonstrations are performed with both the updated standalone BSE and the updated NBODY7/BSE. When convolved with stellar and primordial-binary populations as observed in young massive clusters, such remnant-formation and natal-kick mechanisms crucially determine the accumulated number, mass, and mass distribution of the BHs retained in young massive, open, and globular clusters (GCs); these BHs would eventually become available for long-term dynamical processing. Among other conclusions, we find that although the newer, delayed SN remnant formation model gives birth to the largest number (mass) of BHs, the older remnant-formation schemes cause the largest number (mass) of BHs to survive in clusters, when incorporating SN material fallback onto the BHs. The SN material fallback also causes the convection-asymmetry-driven SN kick to effectively retain similar numbers and masses of BHs in clusters as for the standard, momentum-conserving kick. The collapse-asymmetry-driven SN kick would cause nearly all BHs to be retained in clusters irrespective of their mass, remnant-formation model, and metallicity, whereas the inference of a large population of BHs in GCs would potentially rule out the neutrino-driven SN kick mechanism. Pre-SN mergers of massive primordial binaries would potentially cause BH masses to deviate from the theoretical, single-star ZAMS to mass-remnant mass relation unless a substantial of the total merging stellar mass of up to ≈40% is lost during a merger process. In particular, such mergers, at low metallicities, have the potential to produce low-spinning BHs within the PSN mass gap that can be retained in a stellar cluster and be available for subsequent dynamical interactions. As recent studies indicate, the new remnant-formation modelling reassures us that young massive and open clusters would potentially contribute to the dynamical BBH merger detection rate to a similar extent as their more massive GC counterparts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Probing the surface oxidation process in hexagonal boron nitride epilayers

Thermal neutron detectors based on hexagonal boron nitride ( h -BN) epilayers have demonstrated a record high efficiency among solid-state detectors at 58%. It was found that the performance of h -BN detectors is profoundly influenced by charge recombination at the surfaces. The dynamic process of surface oxidation in h -BN epilayers has been probed by x-ray photoelectron spectroscopy. The spectra of high-resolution (0.1 eV) scans indicated that the linewidth of the B 1s peak at 190.6 eV increased and the peak intensity decreased with an increase in exposure time in-air (t air ). The main B 1s peak at 190.6 eV evolved into multiple peaks at a higher binding energy position due to oxygen impurities tending to occupy nitrogen sites and form the B–O bond. Time constants of the oxidation process have been determined, revealing that the formation process of the B–O bond is very fast and within minutes in h -BN. The results suggest that reducing nitrogen vacancy generation during growth and employing surface treatment techniques would further improve the performance of h -BN devices.

2D materials↗
DOE OSTI2020

Parameterized Neural Ordinary Differential Equations: Applications to Computational Physics Problems

This work proposes an extension of neural ordinary differential equations (NODEs) by introducing an additional set of ODE input parameters to NODEs. This extension allows NODEs to learn multiple dynamics specified by the input parameter instances. Our extension is inspired by the concept of parameterized ordinary differential equations, which are widely investigated in computational science and engineering contexts, where characteristics of the governing equations vary over the input parameters. We apply the proposed parameterized NODEs (PNODEs) for learning latent dynamics of complex dynamical processes that arise in computational physics, which is an essential component for enabling rapid numerical simulations for time-critical physics applications. For this, we propose an encoder-decoder-type framework, which models latent dynamics as PNODEs. We demonstrate the effectiveness of PNODEs with important benchmark problems from computational physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1975

Baseline data on the oceanography of Cook Inlet, Alaska

Regional relationships between river hydrology, sediment transport, circulation and coastal processes were analyzed utilizing aircraft, ERTS-1 and N.O.A.A. -2 and -3 imagery and corroborative ground truth data. The use of satellite and aircraft imagery provides a means of acquiring synoptic information for analyzing the dynamic processes of Cook Inlet in a fashion not previously possible.

Gatto, L. W.↗
NASA NTRS1980

The physics of plasma injection events

In this paper, plasma injection is defined as an increase of particle flux in a detector of finite bandwidth. Injection can result from dynamic processes or from spacecraft penetration of a quasi-static spatial structure produced by a steady magnetospheric convection pattern. ATS-5 particle spectrograms are found to provide examples of plasma injection events of both sorts. Dynamic injection occurs both with and without local magnetic signatures. For events not associated with clear local magnetic signatures, convection theory with a steady or a time-varying uniform electric field can account for the energy dispersion of injected particles with energy less than 50 keV. The paper concludes with a discussion of the way in which the convection boundaries are related to the substorm injection boundary of Mauk and McIlwain. Several alternative expressions for the local time and K(p) dependence of the injection boundary are given.

Kivelson, M. G.↗
NASA NTRS2024

Replicating the Hadley Cell Edge and Subtropical Jet Latitude Disconnect in Idealized Atmospheric Models

Recent work has shown that variability in the subtropical jet's (STJ) latitude, ϕSTJ, is not coupled to that of the Hadley cell (HC) edge, ϕHC, but the robustness of this disconnect has not been examined in detail. Here, we use meteorological reanalysis products, comprehensive climate models, and an idealized atmospheric model to determine the necessary processes for a disconnect between ϕHC and ϕSTJ in the Northern Hemisphere's December–January–February season. We find that a decoupling can occur in a dry general circulation model, indicating that large-scale dynamical processes are sufficient to reproduce the metrics' relationship. It is therefore not reliant on explicit variability in the zonal structure, convection, or radiation. Rather, the disconnect requires a sufficiently realistic climatological basic state. Further, we confirm that the robust disconnect between ϕSTJ and ϕHC across the model hierarchy reveals their differing sensitivities to midlatitude eddy momentum fluxes; ϕHC is consistently coupled to the latitude of maximum eddy momentum flux, but ϕSTJ is not.

Molly E. Menzel↗
DOE OSTI2023

Development and Characterization of Electrodes for Surface-Specific Attenuated Total Reflection Two-Dimensional Infrared Spectroelectrochemistry

Electrochemical interfaces still have remaining mysteries surrounding the interfacial region of the electrical double layer, despite being prevalent throughout the energy and water remediation industries. The electrical double layer is where many important dynamic processes such as catalysis and electron transfer occur. The goal of this work is to study the electrical double layer with two-dimensional infrared (2D IR) spectroscopy to experimentally access the details of the structural dynamics of this complex environment. However, there are several experimental challenges to applying 2D IR spectroscopy to this application, such as assuring the surface specificity of the spectrum, optimizing the signal strength while minimizing spectral distortions from dispersion and Fano line shapes, and selecting electrode materials that are both sufficiently IR compatible and conductive. Here we will discuss various considerations when designing 2D IR experiments of electrode interfaces utilizing several substrates and experimental configurations and demonstrate a robust method for 2D IR experiments of electrode interfaces under applied potential that combines nonconducting Si ATR wafers with conductive ITO and thin nanostructured films of plasmonically active Au functionalized with 3-mercapto-2-butanone (MCB). We show that layered electrodes on thin Si ATR wafers with MCB are sensitive to applied potential and that the distortions in the linear and 2D IR spectra are heavily dependent on the morphology of the Au surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Status Report on the Component Models Developed in the Modelica Framework: Reverse Osmosis Desalination Plant & Thermal Energy Storage

This report has been prepared as part of an effort to design and build a Modeling and Simulation (M&S) framework to assess the economic viability of a Nuclear-Renewable Hybrid Energy System (N-R HES). In order to facilitate dynamic M&S of such an integrated system, research groups in multiple national laboratories and universities have been developing various subsystems as dynamic physics-based components using the Modelica programming language. In Fiscal Years (FYs) 2015, Idaho National Laboratory (INL) performed a dynamic analysis of two region-specific N-R HES configurations, including the gas-to-liquid (natural gas to Fischer-Tropsch synthetic fuel) and brackish water Reverse Osmosis (RO) desalination plants as industrial processes. In FYs 2016–2017, INL developed two additional subsystems in the Modelica framework: (1) a high-temperature steam electrolysis plant as a high priority industrial plant to be integrated with a light water reactor within an N-R HES and (2) a gas turbine power plant as a secondary energy supply. In FY 2018, the RO desalination system model developed in FY 2015 has been updated such that the model is compatible with the most recent version of the ThermoPower library. Special attention has been given to the controller settings based on process models, aiming to improve process dynamics and controllability. A dynamic performance analysis of the updated RO desalination plant was carried out to evaluate the technical feasibility (load-following capability) of such a system operating under highly variable conditions requiring flexible output. Simulation results involving several case studies show that the suggested control scheme could maintain the controlled variables (including the variable electrical load and RO feed pressure) within desired limits under various plant operating conditions. The results also indicate that the proposed RO plant could provide operational flexibility to participate in energy management at the utility scale by dynamically optimizing the use of excess plant capacity within an N-R HES. For a small-scale energy storage system, a sensible Thermal Energy Storage (TES) model has been developed in the Modelica Framework in FY 2018.

25 ENERGY STORAGE↗