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At least 1,585 records · Page 88

Chemical Mixing Induced by Internal Gravity Waves in Intermediate-mass Stars

Internal gravity waves can cause mixing in the radiative interiors of stars. We study this mixing by introducing tracer particles into 2D hydrodynamic simulations. Following the work of Rogers & McElwaine, we extend our study to different masses (3, 7, and 20 M ⊙ ) and ages (ZAMS, midMS, and TAMS). The diffusion profiles of these models are influenced by various parameters such as the Brunt–Väisälä frequency, density, thermal damping, the geometric effect, and the frequencies of waves contributing to these mixing profiles. We find that the mixing profile changes dramatically across age. In younger stars, we noted that the diffusion coefficient increases toward the surface, whereas in older stars the initial increase in the diffusion profile is followed by a decreasing trend. We also find that mixing is stronger in more massive stars. Hence, future stellar evolution models should include this variation. In order to aid the inclusion of this mixing in 1D stellar evolution models, we determine the dominant waves contributing to these mixing profiles and present a prescription that can be included in 1D models.

79 ASTRONOMY AND ASTROPHYSICS↗

Contributions of numerical simulation data bases to the physics, modeling and measurement of turbulence

The use of simulation data bases for the examination of turbulent flows is an effective research tool. Studies of the structure of turbulence have been hampered by the limited number of probes and the impossibility of measuring all desired quantities. Also, flow visualization is confined to the observation of passive markers with limited field of view and contamination caused by time-history effects. Computer flow fields are a new resource for turbulence research, providing all the instantaneous flow variables in three-dimensional space. Simulation data bases also provide much-needed information for phenomenological turbulence modeling. Three dimensional velocity and pressure fields from direct simulations can be used to compute all the terms in the transport equations for the Reynolds stresses and the dissipation rate. However, only a few, geometrically simple flows have been computed by direct numerical simulation, and the inventory of simulation does not fully address the current modeling needs in complex turbulent flows. The availability of three-dimensional flow fields also poses challenges in developing new techniques for their analysis, techniques based on experimental methods, some of which are used here for the analysis of direct-simulation data bases in studies of the mechanics of turbulent flows.

Moin, Parviz↗

Novel Phases and Dynamics of Multi-orbital Mott Insulators

The goal of this project is to gain theoretical insight into magnetism in the presence of spin-orbit coupling (SOC) for multi-orbital Mott insulators. Inspired by the exact solution of the Kitaev model that harbors a quantum spin liquid with novel excitations and struck by its relevance for materials with anisotropic orbital interactions, the PI will explore various new classes of 4d and 5d transition metal oxides. Starting with all electron Hamiltonians, the PI will derive minimal magnetic models. The aim will be to understand the role played by orbital frustration, even in the absence of any geometric frustration, in creating orbitally ordered as well as spin-orbital liquid phases. Orbital frustration arises primarily from the directional or anisotropic nature of d-orbitals in contrast to the isotropic nature of the spin degree of freedom. These models will be investigated by a variety of theoretical and numerical methods, including exact diagonalization, mean field theories, density matrix renormalization group and quantum Monte Carlo methods. Testable predictions for three experiments: nuclear magnetic resonance (NMR) and resonant x-ray scattering (RXS) to probe orbital ordering and pump-probe experiments to probe quantum dynamics will test the validity of these models for materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Atomistic Mechanics of Torn Back Folded Edges of Triangular Voids in Monolayer WS 2

Triangular nanovoids in 2D materials transition metal dichalcogenides have vertex points that cause stress concentration and lead to sharp crack propagation and failure. Here, the atomistic mechanics of back folding around triangular nanovoids in monolayer WS 2 sheets is examined. Combining atomic-resolution images from annular dark-field scanning transmission electron microscopy with reactive molecular modelling, it is revealed that the folding edge formation has statistical preferences under geometric conditions based on the orientation mismatch. It is further investigated how loading directions and strong interlayer friction, interplay with WS 2 lattice's crack preference, govern the deformation and fracture pattern around folding edges. Finally, these results provide fundamental insights into the combination of fracture and folding in flexible monolayer crystals and the resultant Moiré lattices.

36 MATERIALS SCIENCE↗

Code Verification and Solution Verification framework in pin-resolved neutron transport code MPACT

Program verification in scientific computing encompasses the application of formal and mathematical techniques to a scientific computing code for its credibility, accuracy, and validity. Code Verification identifies bugs and performance issues in the software development stage. Solution Verification assesses the applicability of the code and the accuracy of the solution to problems of interest. Both activities utilize application cases and quantify the error against prescribed acceptance criteria. However, simply executing more application cases does not guarantee stronger or more comprehensive credibility. Here, we establish a verification framework that involves Code Verification and Solution Verification, both of which work together such that the overarching goal of “converge to the correct answer for the intended application” can be reasonably inferred. The application of such a verification framework is demonstrated using the pin-resolved neutron transport code MPACT, where standard unit tests and regression tests are covered, and where the Method of Exact Solutions and the Method of Manufactured Solutions are successfully used. Additionally, the applicability of Method of Manufactured Solutions is extended to the OECD/NEA C5G7 benchmark problems of practical material and geometric configurations. Solution Verification activities are demonstrated on a practical hierarchy of application models of increasing complexity ranging from 2D pin cell problems to 3D assembly problems. The convergence behavior and rate of convergence with respect to each individual variable are studied and provided. This framework can be adapted broadly to other fields involving scientific computing codes.

97 MATHEMATICS AND COMPUTING↗

Resolving Competing Ultraviolet Photoinduced Ring-Opening and Dissociation Pathways in Iodothiophenes by Ultrafast Electron Diffraction

The ultraviolet photochemistry of halothiophenes is thought to proceed via competing pathways, prompt C–X (X = halogen) bond fission, and parent ring opening followed by fragmentation, yet direct structural evidence distinguishing these mechanisms is limited. Here, time-resolved gas-phase ultrafast electron diffraction (UED) has been used to directly follow the structural dynamics of 2- and 3-iodothiophene following photoexcitation at 247 nm. For both isomers, the time-resolved pair distribution functions reveal the appearance of new interatomic distances that cannot be explained by simple C–I bond cleavage and formation of C 4 SH 3 radical cofragments. The signatures, particularly those for 2-iodothiophene, are consistent with a rival ring-opening channel of the intact parent, which evolve on time scales distinct from those associated with the direct C–I bond cleavage. In addition, the extracted kinetics indicate that the ring-opening channel occurs faster in 2-iodothiophene than in the 3-isomer at this excitation wavelength. Furthermore, these measurements provide direct geometric evidence for competing pathways leading to different structures following photodissociation in a model heteroaromatic and further establish UED as a sensitive probe of complex excited-state chemistry.

Bond cleavage↗

Polarization Control via Artificial Optical Nonlinearity in Dielectric Metasurfaces

Nonlinear optical phenomena are generally governed by geometry in matter systems, as they depend on the spatial arrangement of atoms within materials or molecules. Metasurfaces, through precisely designed geometries on a subwavelength scale, allow the optical response of a material to be tailored far beyond its natural properties. Therefore, metasurfaces are highly appealing for enabling the engineering of nonlinear optical interactions. Current studies of nonlinear metasurfaces predominantly focus on the phase control of the generated light. Nonetheless, investigating the tensorial nature of the nonlinearity of metasurfaces and its effect on the polarization of the generated light is critical to fully unlocking a range of applications, such as nonlinear vector beam generation and nonlinear polarization imaging. Here, we study the artificial optical nonlinearity of a dielectric metasurface originating from its meta-atom symmetry and describe the third-order nonlinear behavior by considering the polarization degree of freedom. We establish an effective nonlinear medium model that serves as a design toolbox for developing amorphous silicon-based geometric metasurfaces with customizable features for third-harmonic generation. We further extract quantitative values of the artificial nonlinear susceptibility tensor elements related to the investigated nonlinear process and geometry. The implemented functional devices demonstrate the versatility of dielectric metasurfaces in shaping the emitted light in terms of amplitude, phase, and polarization for the precise engineering of advanced nonlinear architectures targeting applications in nonlinear imaging and complex light generation.

Diffraction↗

Emergence of self-organized multivortex states in flocks of active rollers

Active matter, both synthetic and biological, demonstrates complex spatiotemporal self-organization and the emergence of collective behavior. A coherent rotational motion, the vortex phase, is of great interest because of its ability to orchestrate well-organized motion of self-propelled particles over large distances. However, its generation without geometrical confinement has been a challenge. Here, we show by experiments and computational modeling that concentrated magnetic rollers self-organize into multivortex states in an unconfined environment. We find that the neighboring vortices more likely occur with the opposite sense of rotation. Our studies provide insights into the mechanism for the emergence of coherent collective motion on the macroscale from the coupling between microscale rotation and translation of individual active elements. These results may stimulate design strategies for self-assembled dynamic materials and microrobotics.

36 MATERIALS SCIENCE↗

Investigations related to the inviscid-viscous interaction in transonic flows about finite 3-D wings

Inviscid small-disturbance theory has been shown to predict three-dimensional transonic flows about finite wings reasonably well as long as viscous effects are negligible. In order to include these effects, the inviscid small-disturbance solution of Bailey and Ballhaus (1975) has been combined with a finite-difference solution for Prandtl's boundary-layer equations. This solution employs the conditionally stable Krause (1968) scheme, implicit in the direction normal to the wall, to cope with the domain-of-dependence problem that arises for reverse cross flow. To be consistent with the inviscid-flow solution, the boundary layer is computed in the representative wing planform plane which is transformed into rectangular shape in the computational domain. The flow has been assumed turbulent, and a scalar eddy-viscosity model is adopted. The interaction between inviscid and viscous flow is modeled with the help of the displacement surface which is added to the geometric wing shape. Sample distributions of displacement thickness for swept wings are presented for weak and strong interaction cases.

Kordulla, W.↗

Paneling techniques for use with the VORLAX computer program

A method is presented for determining the geometric input data required by the VORLAX computer program in order to accurately model an aircraft configuration. Techniques are described for modeling each of the major components of a configuration and for joining these individual components into a complete configuration. The effects of trailing vortex filaments and methods of avoiding their intersection with downstream panels are also discussed. The methods presented here are applicable to most conventional aircraft configurations.

Martin, G. L.↗

Planetary isophotes as a clue to aerosol characteristics. II - Observations of Venus from spacecraft

Contrary to published reports, the limb-darkening observed by Mariner 10 is consistent with the sulfuric-acid aerosol scattering that explains the polarization and spectroscopic features of Venus. A combination of both geometric and photometric systematic errors explains the previously reported discrepancy. Although the aerosol model cannot be distinguished from isotropic scattering at the Mariner 10 phase angle, Venera 9 data at larger phases clearly favor the aerosol model. There is no evidence for isotropic scattering in the clouds of Venus.

Young, A. T.↗

A determination of the composition of the Saturnian stratosphere using the IUE

Ultraviolet spectra of Saturn from the IUE satellite was reduced to produce a geometric albedo of the planet from 1500 to 3000 A. By matching computer models to the albedo a chemical composition consistent with the data was determined. This model includes C2H2 and C2H6 with mixing ratios and distributions of 9 + or - 3 x 10 to the -8th in the top 20 mbar of the atmosphere with none below for C2H2 and 6 + or 1 x 10 to the -6th also in the top 20 mbar with none below for C2H6. The C2H2 and C2H6 distributions and the C2H6 mixing ratio are taken directly from the Voyager IRIS model (R. Courtin et al., 1981). The Voyager IRIS model also includes PH3, which is not consistent with the UV albedo from 1800 to 2400 A. This model requires a previously unidentified absorber to explain the albedo near 1600 A. After considering several candidates, it is found that the best fit to the data is obtained with H2O, having a column density of 6 + or - 1 x 10 to the -3 cm-am.

Winkelstein, P.↗

Some Opinions on Remote Sensing and Geologic Studies

The principal role of remote sensing data in geologic studies is as a source of geologic information from which meaningful geologic interpretations can be made. Remote sensing data are important in sedimentary basin analysis and other geologic studies as independent and sometimes unique sources of important lithologic and structural information; however, their greatest benefit to exploration-oriented investigations may come when these data are used with other relevant data in a digital database approach to exploration. Modern computer technology facilitates the rapid integration and synthesis of satellite, topographic, gravity, aeromagnetic, geochemical, and other data collected from a given region. Once such data are geometrically registered, they can be digitally processed, within the constraints of defined geologic models, to rapidly identify, and focus further exploration efforts on, target areas that have the greatest potential for success.

Bailey, G. B.↗

The design and development of a two-dimensional adaptive truss structure

The functional model of a two dimensional adaptive truss structure which can purposefully change its geometrical configuration is introduced. The details of design and fabrication such as kinematic analysis, dynamic characteristics analysis and some test results are presented for the demonstration of this two dimensional truss concept.

Kuwao, Fumihiro↗

Plasma parameters in the near wake of the Space Shuttle

Results are presented from a Spherical Retarding Potential Analyzer and a spherical Langmuir Probe which were flown on the Spacelab-2 mission of the Space Shuttle Orbiter in August 1985. The probes were mounted in such a position that for certain Orbiter orientations, the wake edge formed by the starboard payload bay sill swept across the probes at a roll rate of once per orbit about an inertially stabilized pointing direction. Profiles of O(+) number density and electron number density across the wake edge showed that the charge particle number densities declined into the wake at a faster rate than that predicted by theoretical models. At angles of more than 10 deg into the wake from its geometric edge, two electron populations are found, with different mean random energies and electrical potentials. One of these populations is suggested to be the result of selective filtering of the high energy tails of the ambient ionospheric population, the other, a result of photoemission from the payload bay surfaces.

Raitt, W. J.↗

Instability-related delamination growth in thermoset and thermoplastic composites

Mixed-mode crack propagation in compressively loaded thermoset and thermoplastic composite columns with an imbedded through-width delamination is investigated. Beam theory is used to analyze the geometrically nonlinear load-deformation relationship of the delaminated subregion. The elastic restraint model (ERM), combined with existing FSM modeling of the crack-tip region, yields expressions for the Mode I and Mode II components of the strain energy release rate G(I) and G(II) to predict the critical load at the onset of delamination growth. Experimental data were generated for geometries yielding a wide range of G(I)/G(II) ratios at the onset of crack growth. A linear mixed-mode crack growth criterion in conjunctuion with the ERM provides good agreement between predicted and measured critical loads for both materials studied.

Gillespie, John W., Jr.↗

Experimental observations and finite element analysis of the initiation of fiber microbuckling in notched composite laminates

A better understanding of the factors that affect the semi-circular edge-notched compressive strength is developed, and the associated failure mode(s) of thermoplastic composite laminates with multidirectional stacking sequences are identified. The primary variables in this investigation are the resin nonlinear shear constitutive behavior, stacking sequence (orientation of plies adjacent to the 0 degree plies), resin-rich regions between the 0 degree plies and the off-axis supporting plies, fiber/matrix interfacial bond strength, and initial fiber waviness. Two thermoplastic composite material systems are used in this investigation. The materials are the commercial APC-2 (AS4/PEEK) and a poor interface experimental material, AU4U/PEEK, designed for this investigation. Notched compression specimens are studied at 21, 77, and 132 C. Geometric and material nonlinear two-dimensional finite element analysis is used to model the initiation of fiber microbuckling of both the ideal straight fiber and the more realistic initially wavy fiber. The effects of free surface, fiber constitutive properties, matrix constitutive behavior, initial fiber curvature, and fiber/matrix interfacial bond strength on fiber microbuckling initiation strain levels are considered.

Guynn, E. Gail↗

Constraints on the diameter and albedo of 2060 Chiron

Asteroid 2060 Chiron is the largest known object exhibiting cometary activity. Radiometric observations made in 1983 from a ground-based telescope and the IRAS are used to examine the limits on Chiron's diameter and albedo. It is argued that Chiron's surface temperature distribution at that time is best described by an 'isothermal latitude' or 'rapid-rotator' model. Consequently, Chiron has a maximum diameter of 372 kilometers and a minimum geometric albedo of 2.7 percent. This is much bigger and darker than previous estimates, and suggests that gravity may play a significant role in the evolution of gas and dust emissions. It is also found that for large obliquities, surface temperatures can vary dramatically on time scales of a decade, and that such geometry may play a critical role in explaining Chiron's observed photometric behavior since its discovery in 1977.

Sykes, Mark V.↗