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At least 73 records · Page 4

Dynamics and control of coherent structures in the turbulent wall layer: An overview

We expand the velocity field in the vicinity of the wall in empirical eigenfunctions obtained from experiment. Truncating our system and using Galerkin projection, we obtain a closed set of non-linear ordinary differential equations with ten degrees of freedom. We find a rich dynamical behavior, including in particular a heteroclinic attracting orbit giving rise to intermittency. The intermittent jump from one attracting point to the other resembles in many respects the bursts observed in experiments. Specifically, the time between jumps and the duration of the jumps, is approximately that observed in a burst; the jump begins with the formation of a narrowed and intensified updraft, like the ejection phase of a burst, and is followed by a gentle, diffuse downdraft like the sweep phase of a burst. The magnitude of the Reynolds stress spike produced during a burst is limited by our truncation. The behavior is quite robust, much of it being due to the symmetries present (Aubry's group has examined dimensions up to 128 with persistence of the global behavior). We have examined eigenvalues and coefficients obtained from experiment, and from exact simulation, which differ in magnitude. Similar behavior is obtained in both cases; in the latter case, the heteroclinic orbits connect limit cycles instead of fixed points, corresponding to cross-stream waving of the streamwise rolls. The bifurcation diagram remains structurally similar, but somewhat distorted. The role of the pressure term is made clear - it triggers the intermittent jumps, which otherwise would occur at longer and longer intervals, as the system trajectory is attracted closer and closer to the heteroclinic cycle. The pressure term results in the jumps occurring at essentially random times, and the magnitude of the signal determines the average timing. Stretching of the wall region shows that the model is consistent with observations of polymer drag reduction. Change of the third order coefficients, corresponding to acceleration or deceleration of the mean flow, changes the heteroclinic cycles from attracting to repelling, increasing or decreasing the stability, in agreement with observations. The existence of fixed points is an artifact introduced by the projection; however, a decoupled model still displays the rich dynamics. Numerous assumptions made in Aubry et al. (1988) can now be proved exactly. Feeding back eigenfuncitons with the proper phase can delay the bursting, (the heteroclinic jump to the other fixed point), decreasing the drag. It is also possible to speed up the bursting, increasing mixing to control separation. Our approach is optimal for short time tracking in control.

Berkooz, Gal↗

The diffuse interstellar feature at 4430 A and interstellar extinction in the far-ultraviolet

IUE measurements have been obtained for the UV extinction characteristics of 20 reddened stars previously reported to have anomalously high or low A(4430)/E(B-V) ratios, in order to conduct a first statistical study of the correlations between these ratios and interstellar extinction features in the UV. A marginally significant positive correlation is noted between A(4430)/E(B-V) and the normalized strength of the 2175 A extinction jump, but no correlation is found with the total extinction at the wavelength and a marginally negative correlation is found with the extinction rise at 1250 A. The hypothesis that 4430 A diffuse absorption is produced by very small interstellar grains is not supported by the present observations.

Witt, A. N.↗

Tracer particle transport dynamics in the diffusive sandpile cellular automaton

The confinement properties of the diffusive running sandpile are characterized by tracking the motion of a population of marked grains of sand. It is found that, as the relative strength of the avalanching to the diffusive transport channel is varied, a point is reached at which the particle global confinement time and the probability density functions of the jump-sizes and waiting-times of the tracked grains experience a sudden change, thus revealing a dynamical transition, that is consistent with previous studies (Newman DE et al., Phys Rev Lett 2002;88(20):204304). Across this transition, the sandpile moves from a regime characterized by self-similarity and memory, where avalanches of all possible sizes dominate transport across the system, to another regime where transport is taken over by near system-size, quasi-periodic avalanches. Values for the fractional transport exponents that quantify effective transport across the sandpile prior to the transition are also obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Turbulent Processes that Influence Boundary-Layer Cloud Structure (Final Technical Report)

Many models of the atmosphere simulate vertical profiles of observable fields, such as temperature, moisture, and vertical velocity. To assess the realism of such model output, it is important to evaluate the modeled profiles against observations. However, many extant evaluations consist of comparing time averaged profiles from the model and the observations. Such time averages can smooth out unrealistic features that appear in instantaneous profiles. In this way, the time averages may obscure certain model errors from detection. For instance, many models misrepresent turbulent processes, leading to profiles that are too smoothed out or too noisy. E.g., if a model has coarse vertical resolution and overly strong diffusion, then the model may be unable to produce observed sharp peaks. On the other hand, a model may have artificial approximations that produce spurious jumps in the vertical. Much can be learned by browsing through instantaneous snapshots of model output. But the volume of output produced by a global model is far too great to rely purely on visual inspection. In addition, we need a way to statistically characterize the profiles, so that anomalies can be detected more conveniently.

54 ENVIRONMENTAL SCIENCES↗

Connecting energetics to dynamics in particle growth by oriented attachment using real-time observations

The interplay between crystal and solvent structure, interparticle forces and ensemble particle response dynamics governs the process of crystallization by oriented attachment (OA), yet a quantitative understanding is lacking. Using as a model system ZnO, we combine in situ TEM observations of single particle and ensemble assembly dynamics with simulations of interparticle forces and responses to relate experimentally derived interparticle potentials to the underlying interactions. We show that OA is driven by forces and torques due to a combination of electrostatic ion-solvent correlations and dipolar interactions that act at separations well beyond 5 nm. Importantly, coalignment is achieved before particles reach separations at which strong attractions drive the final jump to contact. The observed barrier to attachment is negligible, while dissipative factors in the quasi-2D confinement of the TEM fluid cell lead to abnormal diffusivities with timescales for rotation much less than for translation, thus enabling OA to dominate.

36 MATERIALS SCIENCE↗

Diffusion of alloying and fission atoms in α-U investigated by first-principles calculation

Stability and diffusion of small defect clusters containing alloying or fission atoms (“F” is used to represent both atoms) in an α-uranium (U) crystal are investigated using first-principles calculations. Here, results indicate that different stable defect structures are observed for an interstitial defect and a cluster (F n V m ) containing different alloying or fission atoms and vacancies. An interstitial defect is found to be most stable either at the center of a pyramid pentahedron or in a 〈010〉 mixed dumbbell configuration and the latter one is reported for the first time. Formation energy of a small F n V m cluster depends on the distribution of vacancies. Based on these stable defects, new migration energies and paths have been explored in this work. Anisotropic migration of an interstitial defect by jumping between nearest centers of two pyramid pentahedrons or jumping between two mixed U-Zr dumbbells has been suggested. Furthermore, a new migration-rotation mechanism has been explored for the first time for a FV 2 cluster, resulting in a 3D diffusion. Finally, the effect of substitutional Pu atoms on the migration of a FV 2 cluster suggests that optimizing the Pu concentration may prohibit the diffusion of some alloying or fission atoms, increasing the safe performance of metallic fuels.

3D diffusion↗

Heat and mass transfer in combustion - Fundamental concepts and analytical techniques

Fundamental combustion phenomena and the associated flame structures in laminar gaseous flows are discussed on physical bases within the framework of the three nondimensional parameters of interest to heat and mass transfer in chemically-reacting flows, namely the Damkoehler number, the Lewis number, and the Arrhenius number which is the ratio of the reaction activation energy to the characteristic thermal energy. The model problems selected for illustration are droplet combustion, boundary layer combustion, and the propagation, flammability, and stability of premixed flames. Fundamental concepts discussed include the flame structures for large activation energy reactions, S-curve interpretation of the ignition and extinctin states, reaction-induced local-similarity and non-similarity in boundary layer flows, the origin and removal of the cold boundary difficulty in modeling flame propagation, and effects of flame stretch and preferential diffusion on flame extinction and stability. Analytical techniques introduced include the Shvab-Zeldovich formulation, the local Shvab-Zeldovich formulation, flame-sheet approximation and the associated jump formulation, and large activation energy matched asymptotic analysis. Potentially promising research areas are suggested.

Law, C. K.↗

Numerical Simulation of an Enclosed Laminar Jet Diffusion Flame in Microgravity Environment: Comparison with ELF Data

Enclosed diffusion flames are commonly found in practical combustion systems, such as the power-plant combustor, gas turbine combustor, and jet engine after-burner. In these systems, fuel is injected into a duct with a co-flowing or cross-flowing air stream. The diffusion flame is found at the surface where the fuel jet and oxygen meet, react, and consume each other. In combustors, this flame is anchored at the burner (i.e., fuel jet inlet) unless adverse conditions cause the flame to lift off or blow out. Investigations of burner stability study the lift off, reattachment, and blow out of the flame. Flame stability is strongly dependent on the fuel jet velocity. When the fuel jet velocity is sufficiently low, the diffusion flame anchors at the burner rim. When the fuel jet velocity is increased, the flame base gradually moves downstream. However, when the fuel jet velocity increases beyond a critical value, the flame base abruptly jumps downstream. When this "jump" occurs, the flame is said to have reached its lift-off condition and the critical fuel jet velocity is called the lift-off velocity. While lifted, the flame is not attached to the burner and it appears to float in mid-air. Flow conditions are such that the flame cannot be maintained at the burner rim despite the presence of both fuel and oxygen. When the fuel jet velocity is further increased, the flame will eventually extinguish at its blowout condition. In contrast, if the fuel jet velocity of a lifted flame is reduced, the flame base moves upstream and abruptly returns to anchor at the burner rim. The fuel jet velocity at reattachment can be much lower than that at lift off, illustrating the hysteresis effect present in flame stability. Although there have been numerous studies of flame stability, the controlling mechanisms are not well understood. This uncertainty is described by Pitts in his review of various competing theories of lift off and blow out in turbulent jet diffusion flames. There has been some research on the stability of laminar flames, but most studies have focused on turbulent flames. It is also well known that the airflow around the fuel jet can significantly alter the lift off, reattachment and blow out of the jet diffusion flame. Buoyant convection is sufficiently strong in 1-g flames that it can dominate the flow-field, even at the burner rim. In normal-gravity testing, it is very difficult to delineate the effects of the forced airflow from those of the buoyancy-induced flow. Comparison of normal-gravity and microgravity flames provides clear indication of the influence of forced and buoyant flows on the flame stability. The overall goal of the Enclosed Laminar Flames (ELF) investigation (STS-87/USMP-4 Space Shuttle mission, November to December 1997) is to improve our understanding of the effects of buoyant convection on the structure and stability of co-flow diffusion flame, e.g., see http://zeta.lerc.nasa.gov/expr/elf.htm. The ELF hardware meets the experiment hardware limit of the 35-liter interior volume of the glovebox working area, and the 180x220-mm dimensions of the main door. The ELF experiment module is a miniature, fan-driven wind tunnel, equipped with a gas supply system. A 1.5-mm diameter nozzle is located on the duct's flow axis. The cross section of the duct is nominally a 76-mm square with rounded corners. The forced air velocity can be varied from about 0.2 to 0.9 m/s. The fuel flow can be set as high as 3 std. cubic centimeter (cc) per second, which corresponds to a nozzle exit velocity of up to 1.70 m/s. The ELF hardware and experimental procedure are discussed in detail in Brooker et al. The 1-g test results are repeated in several experiments following the STS-87 Mission. The ELF study is also relevant to practical systems because the momentum-dominated behavior of turbulent flames can be achieved in laminar flames in microgravity. The specific objectives of this paper are to evaluate the use reduced model for simulation of flame lift-off and blowout.

Jia, Kezhong↗

Migration of Ga vacancies and interstitials in β – Ga 2 O 3

Pathways and energy barriers for the migration of Ga vacancies (V Ga ) and Ga interstitials (Ga i ) in β–Ga 2 O 3 are explored using hybrid functional calculations and the nudged elastic band method. Considering β–Ga 2 O 3 as primarily being an n-type semiconductor, we focus on defect charge states relevant under such conditions: $V^{3 –}_{Ga}$, Ga$^{3+}_{i}$, and Ga$^{+}_{i}$. Notably, we describe a mechanism by which V Ga can transform between its different split configurations. In all cases, the intermediate state consists of a vacancy split between three Ga sites—a three-split vacancy—which enables passage over a significantly lower energy barrier. This is because it avoids the unfavorable simple vacancy at the tetrahedral Ga site. The proposed mechanism lowers the overall barrier for $V^{3–}_{Ga}$ diffusion along the [001] crystal direction from 1.73 to 0.97 eV, whereas the 2.08 eV barrier for the [100] and [010] directions is unaffected. For Ga$^{3+}_{i}$, we obtain similar overall migration barriers of 0.72, 0.80, and 1.02 eV for the [010], [001], and [100] directions, respectively. Ga$^{+}_{i}$ exhibits a strong preference for diffusion within the large eight-sided channel; the overall migration barrier is 0.92 eV for the [010] direction, and 2.16 eV for the [001] and [100] directions. The limiting step for the two latter directions involves ionization of Ga$^{+}_{i}$ followed by a jump to an adjacent large eight-sided channel as Ga$^{3+}_{i}$. Finally, our results are discussed in light of experimental observations of thermally activated recovery processes in irradiated material.

36 MATERIALS SCIENCE↗

Prediction of vacancy defect diffusion paths in high entropy alloys via machine learning on molecular dynamics data

Identifying the diffusion path of point defects is a critical step in understanding their evolution and the mechanisms of related phenomena. Defect diffusion occurs at small length and time scales, with impacts on material properties that may continue to evolve over ns to μs, ms, and the continuum scale (s, min, etc., and cm, m, etc.). The time scale accessible to molecular dynamics (MD) simulations is limited by small step sizes, typically in the fs range. Thus, surrogate models of MD simulations through machine learning (ML)-based algorithms are of great interest, especially for complex systems such as high entropy alloys (HEAs). In this work, dynamics governing vacancy migration in HEA were approximated with graph convolutional network (GCN) models as ansatzes for kinetic Monte Carlo (KMC) rate catalogs. Network design considered that diffusion in crystalline solids generally depends on interactions between defects and their immediate neighbor atoms. Graphs represented the vacancy surroundings, MD-generated trajectories provided training and comparison datasets, and unsupervised GCN models approximated interatomic dynamics governing vacancy migration in HEAs as ansatzes for KMC. A proof-of-concept model trained on MD data for the Fe, Ni, Cr, Co, and Cu HEA environment was used with two different neighbor interactions to assess the feasibility of training a GCN to predict vacancy defect transition rates in the HEA environment. The resulting setup rapidly generated MD-formatted synthetic trajectories based on dynamics learned from the MD training set, with a time acceleration of roughly two orders of magnitude and a similar diffusion coefficient to MD observations. Additionally, Nudged Elastic Band (NEB) calculations were performed on randomly generated FeNiCrCoCu HEA structures to determine vacancy migration barriers across nearest-neighbor sites. Transition probabilities for each jump, categorized by atomic type, were extracted from these calculations. NEB-based and GCN-based approaches led to similar outcomes.

Reimer, C↗

Analytical closure to the spatially-filtered Euler equations for shock-dominated flows

To ensure numerical stability in the vicinity of shocks, a variety of methods have been used, including shock-capturing schemes such as weighted essentially non-oscillatory schemes, as well as the addition of artificial diffusivities to the governing equations. Centered finite difference schemes are often avoided near discontinuities due to the tendency for significant oscillations. However, such schemes have desirable conservation properties compared to many shock-capturing schemes. The objective of this work is to derive all necessary viscous/diffusion terms from first principles and then demonstrate the performance of these analytical terms within a centered differencing framework. The physical Euler equations are spatially-filtered with a Gaussian-like filter. Sub-filter scale (SFS) terms arise in the momentum and energy equations. Analytical closure is provided for each of them by leveraging the jump conditions for a shock. No SFS terms are present in the continuity or species equations. Here, this approach is tested for several problems involving shocks in one and two dimensions. Implemented within a centered difference code, the SFS terms perform well for a range of flow conditions without introducing excessive diffusion.

97 MATHEMATICS AND COMPUTING↗

Layers Can Be Deceiving: A Hopping Model for Small Molecule Diffusion in TATB Crystal

Sorption of small molecule gases in materials can play a significant role in their long‐term stability and compatibility within multi‐material assemblies. While many material properties of the insensitive high explosive TATB (1,3,5‐triamino‐2,4,6‐trinitrobenzene) are well understood, very little is known regarding its permeability to gases. TATB crystal exhibits a graphitic‐like layered packing structure that evokes a mental schema in which the layers form nanoscopic channels, but it is unclear whether this structure promotes gas transport. Here, we use molecular dynamics (MD) simulations to predict transport of small molecules through TATB single crystal. An approach to fit classical force fields is developed to model TATB interactions with H 2 O, He, Ne, and Ar, which is then combined with steered MD to probe gas transport along selected directions in the crystal. We find that small molecule transport occurs via a hopping mechanism that exhibits distinct jumps between interstitial sites and is substantially faster normal to the layers as compared to through them. This result stems from the finding that intralayer junctions between adjacent TATB molecules are the most stable interstitial sites and that energetic barriers are lower for hopping between adjacent layers. An empirical model for diffusion rate based on the MD data shows that the rate decays exponentially with increasing molecular radius and is negligibly small for all molecules larger than He, including common atmospheric gases. These findings have implications for the interpretation of experiments that measure surface area, material response to extreme conditions, and are expected to help constrain models for material aging.

36 MATERIALS SCIENCE↗

Direct simulation of hypersonic flows over blunt slender bodies

Results of a numerical study of low-density hypersonic flow about cylindrically blunted wedges and spherically blunted cones with body half angles of 0, 5, and 10 deg are presented. Most of the transitional flow regime encountered during entry between the free molecule and continuum regimes is simulated for a reentry velocity of 7.5 km/s by including freestream conditions of 70 to 100 km. The bodies are at zero angle of incidence and have diffuse and finite catalytic surfaces. Translational, thermodynamic, and chemical nonequilibrium effects are considered in the numerical simulation by utilizing the direct simulation Monte Carlo (DSMC) method. The numerical simulations show that noncontinuum effects such as surface temperature jump, and velocity slip are evident for all cases considered. The onset of chemical dissociation occurs at a simulated altitude of 96 km for the two-dimensional configurations. Comparisons between the DSMC and continuum viscous shock-layer calculations highlight the significant difference in flowfield structure predicted by the two methods.

Moss, J. N.↗

New Results from Galileo's First Flyby of Ganymede: Reconnection-Driven Flows at the Low-Latitude Magnetopause Boundary, Crossing the Cusp, and Icy Ionospheric Escape

On 27 June 1996, the NASA Galileo spacecraft made humanity’s first flyby of Jupiter’s largest moon, Ganymede, discovering that it is the only moon known to possess an internally generated magnetic field. Resurrecting the original Galileo Plasma Subsystem (PLS) data analysis software, we processed the raw PLS data from G01 and for the first time present the properties of plasmas encountered. Entry into the magnetosphere of Ganymede occurred near the confluence of the magnetopause and plasma sheet. Reconnection-driven plasma flows were observed (consistent with an Earth-like Dungey cycle), which may be a result of reconnection in the plasma sheet, magnetopause, or might be Ganymede’s equivalent of a Low-Latitude Boundary Layer. Dropouts in plasma density combined with velocity perturbations afterward suggest that Galileo briefly crossed the cusps into closed magnetic field lines. Galileo then crossed the cusps, where field-aligned precipitating ions were observed flowing down into the surface, at a location consistent with observations by the Hubble Space Telescope. The density of plasma outflowing from Ganymede jumped an order of magnitude around closest approach over the north polar cap. The abrupt increase may be a result of crossing the cusp or may represent an altitude-dependent boundary such as an ionopause. More diffuse, warmer field-aligned outflows were observed in the lobes. Fluxes of particles near the moon on the nightside were significantly lower than on the dayside, possibly resulting from a diurnal cycle of the ionosphere and/or neutral atmosphere.

Collinson, Glyn↗

Similarity theory of the buoyantly interactive planetary boundary layer with entrainment

A similarity model is developed for the vertical profiles of turbulent flow variables in an entraining turbulent boundary layer of arbitrary buoyant stability. In the general formulation the vertical profiles, internal rotation of the velocity vector, discontinuities or jumps at a capping inversion and bulk aerodynamic coefficients of the boundary layer are given by solutions to a system of ordinary differential equations in the similarity variable. To close the system, a formulation for buoyantly interactive eddy diffusivity in the boundary layer is introduced which recovers Monin-Obukhov similarity near the surface and incorporates a hypothesis accounting for the observed variation of mixing length throughout the boundary layer. The model is tested in simplified versions which depend only on roughness, surface buoyancy, and Coriolis effects by comparison with planetary-boundary-layer wind- and temperature-profile observations, measurements of flat-plate boundary layers in a thermally stratified wind tunnel and observations of profiles of terms in the turbulent kinetic-energy budget of convective planetary boundary layers. On balance, the simplified model reproduced the trend of these various observations and experiments reasonably well, suggesting that the full similarity formulation be pursued further.

Hoffert, M. I.↗

Mapping the Temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage

We explore the kinetic processes that sustain equilibrium in a microscopic, finite system. This is accomplished by monitoring the spontaneous, time-dependent frequency evolution (the frequency autocorrelation) of a single OH oscillator, embedded in a water cluster held in a temperature-controlled ion trap. The measurements are carried out by applying two-color, IR-IR photodissociation mass spectrometry to the D3O+?(HDO)(D2O)19 isotopologue of the “magic number” protonated water cluster, H+?(H2O)21. The OH group can occupy any one of the five spectroscopically distinct sites in the distorted pentagonal dodecahedron cage structure. The OH frequency is observed to evolve over tens of milliseconds in the temperature range (90-120 K). Starting at 100 K, large “jumps” are observed between two OH frequencies separated by ~300 cm-1 indicating migration of the OH group from the bound OH site at 3350 cm-1 to the free position at 3686 cm-1. Increasing the temperature to 110 K leads to partial interconversion among many sites. All sites are observed to interconvert at 120 K such that the distribution of the unique OH group among them adopts the form one would expect for a canonical ensemble. The spectral dynamics displayed by the clusters thus offer an unprecedented view into the molecular-level processes that drive spectral diffusion in an extended network of water molecules.

Yang, Nan↗

A Strong Merger Shock in Abell 665

Deep (103 ks) Chandra observations of Abell 665 have revealed rich structures in this merging galaxy cluster, including a strong shock and two cold fronts. The newly discovered shock has a Mach number of M =3.0 +/- 0.6, propagating in front of a cold disrupted cloud. This makes Abell 665 the second cluster, after the Bullet cluster, where a strong merger shock of M is approximately 3 has been detected. The shock velocity from jump conditions is consistent with (2.7 +/- 0.7) × 10(exp 3) km s(exp −1). The new data also reveal a prominent southern cold front with potentially heated gas ahead of it. Abell 665 also hosts a giant radio halo. There is a hint of diffuse radio emission extending to the shock at the north, which needs to be examined with better radio data. This new strong shock provides a great opportunity to study the reacceleration model with the X-ray and radio data combined.

galaxies: clusters: general- galaxies: clisters; i↗

Modeling the Effects of Drift Orbit Bifurcation on Radiation Belt Electrons

Abstract Drift orbit bifurcation (DOB) has been suggested to play a major role in the loss and transport of radiation belt electrons since it violates the second adiabatic invariants of particles and makes the third invariant undefined. Results from our guiding‐center test particle simulations using the Tsyganenko‐1989c magnetic field model show that the DOB could affect a broad region of the outer radiation belt, which can penetrate inside the geosynchronous orbit at Kp ≥ 3, and its effects are more significant further away from the Earth, at a higher Kp and for higher electron energies. Specifically, the short‐term simulation results after one electron drift show both traditional and nontraditional DOB transport of electrons, with the nontraditional DOB, caused by a third minimum of the magnetic field strength near the equator, reported here for the first time. Moreover, our results show large ballistic jumps in the second invariant and radial distance for electrons at high equatorial pitch angles after one drift. In addition, long‐term DOB transport coefficients of electrons over many drifts are calculated based on our simulation results. We find that the pitch angle and radial diffusion coefficients of electrons due to DOB could be comparable to or even larger than those caused by electron interactions with chorus and Ultra‐Low‐Frequency waves, respectively. In sum, our results demonstrate that DOB could cause effective loss and transport of radiation belt electrons even in the absence of waves.

Astronomy & Astrophysics↗