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Results for “dynamic characterization”

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

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Characterizing spatiotemporal dynamics in phenology of urban ecosystems based on Landsat data

Seasonal phenology of vegetation plays an important role in global carbon cycle and ecosystem productivity. In urban environments, vegetation phenology is also important because of its influence on public health (e.g., allergies), and energy demand (e.g. cooling effects). In this study, we studied the potential use of remotely sensed observations (i.e. Landsat data) to derive some phenology indicators for vegetation embedded within the urban core domains in four distinctly different U.S. regions (Washington, D.C., King County in Washington, Polk County in Iowa, and Baltimore City and County in Maryland) during the past three decades. We used all available Landsat observations (circa 3000 scenes) from 1982 to 2015 and a self-adjusting double logistic model to detect and quantify the annual change of vegetation phenophases, i.e. indicators of seasonal changes in vegetation. The proposed model can capture and quantify not only phenophases of dense vegetation in rural areas, but also those of mixed vegetation in urban core domains. The derived phenology indicators show a good agreement with similar indicators derived from the Moderate Resolution Imaging Spectroradiometer (MODIS) and in situ observations, suggesting that the phenology dynamic depicted by the proposed model is reliable. The vegetation phenology and its seasonal and interannual dynamics demonstrate a distinct spatial pattern in urban domains with an earlier (9–14 days) start-of season (SOS) and a later (13–20 days) end-of season (EOS), resulting in an extended (5–30 days) growing season length (GSL) when compared to the surrounding suburban and rural areas in the four study regions. There is a general long-term trend of decreasing SOS (-0.30 day per year), and increasing EOS and GSL (0.50 and 0.90 day per year, respectively) over past three decades for these study regions. The magnitude of these trends varies among the four urban systems due to their diverse local climate conditions, vegetation types, and different urban-rural settings. The Landsat derived phenology information for urban domains provides more details when compared to the coarse-resolution datasets such as MODIS, thus improves our understanding of human-natural systems interactions (or feedbacks) in urban domains. Such information is very valuable for urban planning in light of rapid urbanization and expansion of major metropolitans at the national and global levels.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Characterizing Defect Dynamics in Silicon Carbide Using Symmetry-Adapted Collective Variables and Machine Learning Interatomic Potentials

Silicon carbide (SiC) divacancies are attractive candidates for spin-defect qubits possessing long coherence times and optical addressability. The high activation barriers associated with SiC defect formation and motion pose challenges for their study by first-principles molecular dynamics. In this work, we develop and deploy machine learning interatomic potentials (MLIPs) to accelerate defect dynamics simulations while retaining ab initio accuracy. We employ an active learning strategy comprising symmetry-adapted collective variable discovery and enhanced sampling to compile configurationally diverse training data, calculation of energies and forces using density functional theory (DFT), and training of an E(3)-equivariant MLIP based on the Allegro model. Here, the trained MLIP reproduces DFT-level accuracy in defect transition activation free energy barriers, enables the efficient and stable simulation of multidefect 216-atom supercells, and permits an analysis of the temperature dependence of defect thermodynamic stability and formation/annihilation kinetics to propose an optimal annealing temperature to maximally stabilize VV divacancies.

Computer simulations↗
DOE OSTI2018

Materials Characterization by Dynamic Nuclear Polarization-Enhanced Solid-State NMR Spectroscopy

Here, high-resolution solid-state NMR spectroscopy is a powerful tool for the study of organic and inorganic materials because it can directly probe the symmetry and structure at nuclear sites, the connectivity/bonding of atoms and precisely measure interatomic distances. However, NMR spectroscopy is hampered by intrinsically poor sensitivity; consequently, the application of NMR spectroscopy to many solid materials is often infeasible. High-field dynamic nuclear polarization (DNP) has emerged as a technique to routinely enhance the sensitivity of solid-state NMR experiments by 1–3 orders of magnitude. This Perspective gives a general overview of how DNP-enhanced solid-state NMR spectroscopy can be applied to a variety of inorganic and organic materials. DNP-enhanced solid-state NMR experiments provide unique insights into the molecular structure, which makes it possible to form structure–activity relationships that ultimately assist in the rational design and improvement of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Characterizing phonon dynamics using stochastic sampling

Predicting phonon relaxation time from molecular dynamics (MD) requires a long simulation time to compute the mode energy auto-correlation function. Here, we present an alternative approach to infer the phonon life-time from an approximate form of the energy auto-correlation function. The method requires as an input a set of sampled equilibrium configurations. A stochastic sampling method is used to generate the equilibrium configurations. We consider a truncated Taylor series expansion of the phonon energy auto-correlation function. The different terms in the truncated correlation function are obtained using the stochastic sampling approach. The expansion terms, thus, obtained are in good agreement with the corresponding values obtained using MD. We then use the approximate function to compute the phonon relaxation time. The relaxation time computed using this method is compared with that obtained from the exact correlation function. The two values are in agreement with each other.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Modeling and Characterization of Dynamic Failure of Soda-lime Glass Under High Speed Impact

In this paper, the impact-induced dynamic failure of a soda-lime glass block is studied using an integrated experimental/analytical approach. The Split Hopkinson Pressure Bar (SHPB) technique is used to conduct dynamic failure test of soda-lime glass first. The damage growth patterns and stress histories are reported for various glass specimen designs. Making use of a continuum damage mechanics (CDM)-based constitutive model, the initial failure and subsequent stiffness reduction of glass are simulated and investigated. Explicit finite element analyses are used to simulate the glass specimen impact event. A maximum shear stress-based damage evolution law is used in describing the glass damage process under combined compression/shear loading. The impact test results are used to quantify the critical shear stress for the soda-lime glass under examination.

glass, brittle failure, failure strength, damage m↗
DOE OSTI2024

Structural Characterization and Dynamics of AdhE Ultrastructures from Clostridium thermocellum Show a Containment Strategy for Toxic Intermediates

Clostridium thermocellum, a cellulolytic thermophilic anaerobe, is considered by many to be a prime candidate for the realization of consolidated bioprocessing (CBP) and is known as an industry standard for biofuel production. C. thermocellum is among the best biomass degraders identified to date in nature and produces ethanol as one of its main products. Many studies have helped increase ethanol titers in this microbe; however, ethanol production using C. thermocellum is still not economically viable. Therefore, a better understanding of its ethanol synthesis pathway is required. The main pathway for ethanol production in C. thermocellum involves the bifunctional aldehyde-alcohol dehydrogenase (AdhE). To better understand the function of the C. thermocellum AdhE, we used cryo-electron microscopy (cryo-EM) to obtain a 3.28 A structure of the AdhE complex. This high-resolution structure, in combination with molecular dynamics simulations, provides insight into the substrate channeling of the toxic intermediate acetaldehyde, indicates the potential role of C. thermocellum AdhE to regulate activity and cofactor pools, and establishes a basis for future engineering studies. The containment strategy found in this enzyme offers a template that could be replicated in other systems where toxic intermediates need to be sequestered to increase the production of valuable biochemicals.

09 BIOMASS FUELS↗
NASA NTRS1986

Parameterized materials and dynamic response characterizations in unidirectional composites

The values of phase velocities of ultrasonic waves in transversely isotropic media are presented in terms of the fiber volume fraction of a unidirectional fiberglass epoxy composite with constant matrix properties and the ratio between extensional moduli in the longitudinal and transverse directions of the composite when the properties of the fibers are changed, at a constant fiber volume fraction. The model of a homogeneous transversely isotropic medium is adopted to describe the relations between elastic properties and velocities. The displacements due to an oscillatory point source in an infinite medium are used as one measure of comparison of the behavior of the unidirectional composite according to the variations of the parameters, as described above. Values of phase velocities, elastic moduli, Poisson's ratios and displacements due to a point source can be read from the parameterized plots for a known fiber volume fraction or a known ratio between extensional moduli of the composite. Alternatively fiber volume fraction and the ratio between extensional moduli can be inferred from the plots when the values of the phase velocities are known; for example from experimental measurements. Therefore, such parameterized curves may be useful in nondestructive mechanical property and material degradation characterizations.

Williams, J. H., Jr.↗
NASA NTRS1991

Spectroscopic characterization of dynamical processes for Tm,Ho:YAG lasers

The energy transfer processes in Tm,Ho:YAG lasers were investigated in spectral studies and measurements of the temporal response to pulsed excitation. These processes include the population of the 3H4 pump band of Tm, cross-relaxation in Tm, the transfer of energy from Tm to Ho, and various loss mechanisms. It was found that the Tm cross-relaxation is due to a dipole-dipole interaction between Tm ions and that the rate of this process is a function of temperature and ion concentration.

Armagan, G.↗
NASA NTRS1992

Characterization of dynamic stall phenomenon using two-dimensional unsteady Navier-Stokes equations

Among the new significant aspects of the present work are: (1) the treatment of the far-field boundary; (2) the use of C-grid topology, with the branch-cut singularity treated analytically; (3) evaluation of the effect of the envelope of prevailing initial states, and finally; (4) the ability to employ streakline/pathline 'visualization' to probe the unsteady features prevailing in vortex-dominated flows. The far-field boundary is placed at infinity, using appropriate grid stretching. This contributes to the accuracy of the solutions, but raised a number of important issues which needed to be resolved; this includes determining the equivalent time-dependent circulation for the pitching airfoil. A secondary counter-clockwise vortex erupts from within the boundary layer and immediately pinches off the energetic leading-edge shear layer which then, through hydrodynamic instability, rolls up into the dynamic stall vortex. The streakline/pathline visualization serves to provide information for insight into the physics of the unsteady separated flow.

Ghia, K. N.↗
NASA NTRS2003

Dynamic Mechanical Characterization of Thin Film Polymer Nanocomposites

Many new materials are being produced for aerospace applications with the objective of maximizing certain ideal properties without sacrificing others. Polymer composites in various forms and configurations are being developed in an effort to provide lighter weight construction and better thermal and electrical properties and still maintain adequate strength and stability. To this end, thin film polymer nanocomposites, synthesized for the purpose of influencing electrical conductivity using metal oxide particles as filler without incurring losses in mechanical properties, were examined to determine elastic modulus and degree of dispersion of particles. The effects of various metal oxides on these properties will be discussed.

Herring, Helen M.↗