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At least 253 records · Page 14

Flow Solver for Incompressible 2-D Drive Cavity

This software solves the Navier-Stokes equations for the incompressible driven cavity flow problem. The code uses second-order finite differencing on a staggered grid using the Chorin projection method. The resulting intermediate Poisson equation is efficiently solved using the fast Fourier transform. Time stepping is done using fourth-order Runge-Kutta for stability at high Reynolds numbers. Features include check-pointing, periodic field snapshots, ongoing reporting of kinetic energy and changes between time steps, time histories at selected points, and optional streakline generation.

Kalb, Virginia L.↗

A Fully Decentralized Modulation Scheme for Modular Multilevel Converters

As the number of submodules rapidly increase, control architecture of Modular Multilevel Converters (MMCs) is transforming from centralized to distributed in order to address the challenges of tremendous computational burden and massive wiring. In this digest, we propose a modulation scheme for the MMCs with distributed controls, where each submodule is able to handle both controls and modulation in a decentralized manner. It enables the distributed controllers to synchronize in terms of fast-switching pulse width modulation (PWM). Aiming at this key technical challenge, this research develops a physics-informed PWM control strategy of mirroring the spontaneous synchronization feature of coupled oscillator’s behavior at switching frequency. Thanks to less reliance on wirings and communications, the proposed approach has the potential of i) improving reliability of MMC systems, and ii) reducing cost and space requirements for MMCs. The proposed approach has been preliminarily verified through a simulation tool for power electronics systems.

Lu, Minghui [BATTELLE (PACIFIC NW LAB)]↗

High resolution 10 mu spectrometry at different planetary latitudes. A practical Hadamard transform spectrometer for astronomical application

Infrared observations at different latitudes were studied in order to obtain spectra in the 10 micrometers region to understand differences in chemical composition or physical structure of the optical features. In order to receive such spectra of a rotating planet, simultaneous observations at different latitudes were made. A Hadamard transform spectrometer with 15 entrance slits was used to obtain 15 simultaneous spectra, at a resolution of 0.01 micrometers. The spectral band covered contained 255 spectral elements.

Tai, M. H.↗

Covariance and the hierarchy of frame bundles

This is an essay on the general concept of covariance, and its connection with the structure of the nested set of higher frame bundles over a differentiable manifold. Examples of covariant geometric objects include not only linear tensor fields, densities and forms, but affinity fields, sectors and sector forms, higher order frame fields, etc., often having nonlinear transformation rules and Lie derivatives. The intrinsic, or invariant, sets of forms that arise on frame bundles satisfy the graded Cartan-Maurer structure equations of an infinite Lie algebra. Reduction of these gives invariant structure equations for Lie pseudogroups, and for G-structures of various orders. Some new results are introduced for prolongation of structure equations, and for treatment of Riemannian geometry with higher-order moving frames. The use of invariant form equations for nonlinear field physics is implicitly advocated.

Estabrook, Frank B.↗

Extreme Scale Infrasound Inversion and Prediction for Weather Characterization and Acute Event Detection

Accurate and timely weather predictions are critical to many aspects of society with a profound impact on our economy, general well-being, and national security. In particular, our ability to forecast severe weather systems is necessary to avoid injuries and fatalities, but also important to minimize infrastructure damage and maximize mitigation strategies. The weather community has developed a range of sophisticated numerical models that are executed at various spatial and temporal scales in an attempt to issue global, regional, and local forecasts in pseudo real time. The accuracy however depends on the time period of the forecast, the nonlinearities of the dynamics, and the target spatial resolution. Significant uncertainties plague these predictions including errors in initial conditions, material properties, data, and model approximations. To address these shortcomings, a continuous data collection occurs at an effort level that is even larger than the modeling process. It has been demonstrated that the accuracy of the predictions depends on the quality of the data and is independent to a certain extent on the sophistication of the numerical models. Data assimilation has become one of the more critical steps in the overall weather prediction business and consequently substantial improvements in the quality of the data would have transformational benefits. This paper describes the use of infrasound inversion technology, enabled through exascale computing, that could potentially achieve orders of magnitude improvement in data quality and therefore transform weather predictions with significant impact on many aspects of our society.

58 GEOSCIENCES↗

Polar Plate Theory for Orthogonal Anisotropy

Laminated fiber-reinforced (or filamentary) composites are used today for their high strength-to-weight and stiffness-to-weight ratios. However, because of the anisotropic behavior of composites, determining the response on a macroscopic scale is challenging. This is particularly evident in the evaluation of the governing differential equations of a circular disk with the fibers of the lamina oriented with rectilinear orthogonality. This includes any situation involving a composite plate of circular geometry in which out-of-plane displacements due to load are desired, such as fastener pull through loading of a composite plate. Current analysis techniques use numerical methods with rectilinear coordinate systems to solve problems with circular geometry. These analyses over predict plate stiffness by 20% and underpredict failure by 70%. Consequently, there is a need to transform classical composite plate theory to a polar coordinate system. In order to better analyze structures with circular geometries the classical composite plate equations are transformed into the plate equations for a rectilinearly anisotropic composite in polar coordinates. A composite plate is typically a laminate of fibers in rectilinear directions. Subsequent to the lay-tip the necessary geometry is cut out of a rectangular plate. In a similar manner, the derivation of the plate equation starts with the fundamental definitions of strain, displacement and curvature and incorporates the material property angular dependence into the equilibrium equations for a differential polar element. In the transformed state, the stiffness coefficients are no longer constant, adding to the complexity of the governing differential equations. This paper discusses the new derivation and evaluation of the plate equations for a circular composite disk with orthogonal rectilinear anisotropy. The resultant new three partial differential equations, which describe the circular anisotropic plate, can be used to evaluate out-of-plane displacements for given load conditions in design of composite Structures. Without the formation of these unique plate equations, design of such structures is not a precise engineering accomplishment due to the lack of precise design tools. Such structures are over designed to compensate and costly tests need to be performed after production to validate safety. Though impossible to present the mathematical solution within the limits of this paper, the application of the newly derived plate equation in its orthotropic form for a balanced symmetric laminate compared favorably with test results and surpassed the results of standard numerical methods. Within the limitations of the problem foundation the predictive model provides a mechanism for establishing out-of-plane deflection levels for a circular composite plate. Future work in this area should include incorporating the circular composite plate equations in Finite Element Models. The new anisotropic polar plate equations call be utilized as a design tool so that the design more accurately meets the requirements, thus taking full advantage of the weight savings of composites. These accomplishments have not previously been presented to the engineering community nor ever proposed to the IAF. Should the proposed paper be accepted for presentation, attendance is assured.

Bailey, Michelle D.↗

Analysis of sound propagation in ducts using the wave envelope concept

A finite difference formulation is presented for sound propagation in a rectangular two-dimensional duct without steady flow for plane wave input. Before the difference equations are formulated, the governing Helmholtz equation is first transformed to a form whose solution does not oscillate along the length of the duct. This transformation reduces the required number of grid points by an order of magnitude, and the number of grid points becomes independent of the sound frequency. Physically, the transformed pressure represents the amplitude of the conventional sound wave. Example solutions are presented for sound propagation in a one-dimensional straight hard-wall duct and in a two-dimensional straight soft-wall duct without steady flow. The numerical solutions show evidence of the existence along the duct wall of a developing acoustic pressure diffusion boundary layer which is similar in nature to the conventional viscous flow boundary layer. In order to better illustrate this concept, the wave equation and boundary conditions are written such that the frequency no longer appears explicitly in them. The frequency effects in duct propagation can be visualized solely as an expansion and stretching of the suppressor duct.

Baumeister, K. J.↗

Effective constitutive relations for large repetitive frame-like structures

Effective mechanical properties for large repetitive framelike structures are derived using combinations of strength of material and orthogonal transformation techniques. Symmetry considerations are used in order to identify independent property constants. The actual values of these constants are constructed according to a building block format which is carried out in the three consecutive steps: (1) all basic planar lattices are identified; (2) effective continuum properties are derived for each of these planar basic grids using matrix structural analysis methods; and (3) orthogonal transformations are used to determine the contribution of each basic set to the overall effective continuum properties of the structure.

Nayfeh, A. H.↗

Critical cooling rates for amorphous-to-ordered complexion transitions in Cu-rich nanocrystalline alloys

Amorphous complexions in nanocrystalline metals have the potential to improve mechanical properties and radiation tolerance, as well as resistance to grain growth. In this study, the stability of amorphous complexions in binary and ternary Cu-based alloys is investigated by observing the effect of cooling rate from high temperature on the occurrence of amorphous-to-ordered complexion transitions. Bulk Cu-Zr and Cu-Zr-Hf alloy samples were annealed to induce boundary premelting and then quenched through a procedure that induces a gradient of local cooling rate through the sample height. Amorphous complexion thickness distributions were found to be invariant to local cooling rate in the Cu-Zr-Hf alloy, demonstrating enhanced stability of the amorphous complexion structure compared to the Cu-Zr alloy, which had thinner amorphous complexions in the regions that were slowly cooled. The experimental results are used to construct time-temperature-transformation diagrams for the amorphous-to-ordered complexion transition in both the binary and ternary alloys, enabling a deeper understanding of the influence of cooling rate and grain boundary chemistry on complexion transitions. In conclusion, the critical cooling rate necessary to avoid complexion transitions in the ternary alloy is found to be at least three orders of magnitude slower than that for the binary alloy.

36 MATERIALS SCIENCE↗

Conservative-coordinate transformations for atmospheric measurements

This lecture describes a technique by which atmospheric measurements of trace species with medium to long lifetimes can be 'coincidentally' compared and validated even though measurements are taken at different locations and different times In other words, the method, under suitable counditions, can remove a large amount of the natural meteorological variability. The technique involves the use of quasi-Lagrangian or conservative coordinates - air parcel tags which are invariant or nearly invariant under the motion of the parcel. The technique is called 'reconstruction', since measurements taken at one location can be reconstructed at different locations. In order to do this, the data are transformed into the conservative coordinates and accumulated. Within the conservative reference frame, much of the meteorological variability is removed. Once enough data are obtained within the system, the observations can be tranformed back into physical space at any location and compared with other measurements. The method by which the trace species data are obtained makes no difference; satellite, balloon, rocket, aircraft and ground-based data all become equivalent and can be intercompared. The conservative-coordinate system not only allows for intercomparison of data, but shows how data can be taken in such a way as to maximize the physical scope of the information. In other words, the method automatically suggests when conditions might be suitable to obtain information with different environmental situations. It also allows for the forecast of constituent fields using only the meteorological forecasts and limited observational data.

Schoeberl, M. R.↗

Compressible boundary layer with normal pressure gradients: Quasi-similarity equations - Their properties at the wall and at sharp and blunt leading edges.

The failure of most viscous-inviscid interaction methods at strong interactions is attributed to the presence of a normal pressure gradient. A new theory is proposed for supersonic laminar boundary layers that can generate normal pressure gradients. The Navier-Stokes equations are reexamined by an order of magnitude analysis and all first and second order terms are retained. The approximation is found to be dependent not only on the boundary layer thickness but also on the ratio of the dimensionless viscosity and density. The equations are transformed into two quasi-similar, nonlinear, third order, ordinary integro-differential equations for the velocity and pressure as functions of a single transverse variable. The properties of the equations at the boundaries are discussed.

Seginer, A.↗

On the proper derivation of the Floquet-based quantum classical Liouville equation and surface hopping describing a molecule or material subject to an external field

We investigate different approaches to derive the proper Floquet-based quantum–classical Liouville equation (F-QCLE) for laser-driven electron-nuclear dynamics. The first approach projects the operator form of the standard QCLE onto the diabatic Floquet basis and then transforms to the adiabatic representation. The second approach directly projects the QCLE onto the Floquet adiabatic basis. Both approaches yield a form that is similar to the usual QCLE with two modifications: (1) The electronic degrees of freedom are expanded to infinite dimension and (2) the nuclear motion follows Floquet quasi-energy surfaces. However, the second approach includes an additional cross derivative force due to the dual dependence on time and nuclear motion of the Floquet adiabatic states. Our analysis and numerical tests indicate that this cross derivative force is a fictitious artifact, suggesting that one cannot safely exchange the order of Floquet state projection with adiabatic transformation. Our results are in accord with similar findings by Izmaylov et al., [J. Chem. Phys. 140, 084104 (2014)] who found that transforming to the adiabatic representation must always be the last operation applied, although now we have extended this result to a time-dependent Hamiltonian. Finally, this paper and the proper derivation of the F-QCLE should lay the basis for further improvements of Floquet surface hopping.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transformation of the diamond /110/ surface

The diamond surface undergoes a transformation in its electronic structure by a vacuum anneal at approximately 900 C. This transformation is characterized by the appearance of a feature in the band gap region of the energy loss spectrum. The kinetics of the transformation on the (110) surface is studied by observing the growth of this feature with time and temperature. The transformation is found to be consistent with first-order kinetics with an activation energy of 4.8 eV. It is also found that the band gap feature could be removed by exposure of the transformed surface to excited hydrogen. The results are consistent with the polished diamond (110) surface being covered with hydrogen which removes the band gap states and can be thermally desorbed at approximately 900 C.

Pepper, S. V.↗

Light weight, high power, high voltage dc/dc converter technologies

Power-conditioning weight reductions by orders of magnitude will be required to enable the megawatt-power-level space systems envisioned by the Strategic Defense Initiative, the Air Force, and NASA. An interagency program has been initiated to develop an 0.1-kg/kW dc/dc converter technology base for these future space applications. Three contractors are in the first phase of a competitive program to develop a megawatt dc/dc converter. Researchers at NASA Lewis Research Center are investigating innovative converter topology control. Three different converter subsystems based on square wave, resonant, and super-resonant topologies are being designed. The components required for the converter designs cover a wide array of technologies. Two different switches, one semiconductor and the other gas, are under development. Issues related to thermal management and material reliability for inductors, transformers, and capacitors are being investigated in order to maximize power density. A brief description of each of the concepts proposed to meet the goals of this program is presented.

Kraus, Robert↗

Detailed Characterization of Vitrinite-Rich Subbituminous and Bituminous Coals for Utilization in Carbon Fiber Precursor Production

Chemical structures of candidate coals (one subbituminous coal from the Powder River Basin and three bituminous Eastern US coals) were examined for potential low-cost carbon fiber precursor production. Here, the structural evaluation examined the carbon skeleton ( 13 C nuclear magnetic resonance (NMR) and high-resolution transmission electron microscopy (HRTEM)), the heteroatom functionality (X-ray photoelectron spectroscopy (XPS) Fourier transform infrared spectroscopy (FTIR) and NMR), the structural ordering and distribution of PAH sizes (HRTEM), and an estimation of the molecular weight distribution (laser desorption ionization mass spectrometry, LDIMS). The molecular compositional distributions were also evaluated for a mixed solvent extract (atmospheric pressure photoionization, 21 T Fourier transform ion cyclotron resonance mass spectrometry, FT-ICR MS). Significant structural differences existed between the subbituminous and bituminous coals, as expected with coalification (with the bituminous coals having a higher carbon content, lower oxygen content, higher aromaticity values, larger cluster sizes, and so forth). While the bituminous coals were similar in structure (close in rank with Blue Gem being hvAb and the rest being hvBb), structural differences were still evident. Specifically, structural similarities were evident for the average properties of Herrin and Springfield coals: same rank, similar moisture, and volatile matter yields, along with similar aromaticity and carbon and hydrogen content. However, significant structural differences were observed at the molecular level by 21 T FT-ICR MS, which showed that the Springfield coal was structurally more complex. Specifically, 21740, 16931, 30190, and 12982 unique elemental compositions were identified for the Monarch, Herrin, Springfield, and Blue Gem coals, further illustrating the complexity of the coal.

01 COAL, LIGNITE, AND PEAT↗

Hiproofs

We introduce a hierarchical notion of formal proof, useful in the implementation of theorem provers, which we call highproofs. Two alternative definitions are given, motivated by existing notations used in theorem proving research. We define transformations between these two forms of hiproof, develop notions of underlying proof, and give a suitable definition of refinement in order to model incremental proof development. We show that our transformations preserve both underlying proofs and refinement. The relationship of our theory to existing theorem proving systems is discussed, as is its future extension.

Denney, Ewen↗

Mechanisms of Hysteresis and Reversibility across the Voltage-Driven Perovskite–Brownmillerite Transformation in Electrolyte-Gated Ultrathin La 0.5 Sr 0.5 CoO 3−δ

Perovskite cobaltites have emerged as archetypes for electrochemical control of materials properties in electrolyte-gate devices. Voltage-driven redox cycling can be performed between fully oxygenated perovskite and oxygen-vacancy-ordered brownmillerite phases, enabling exceptional modulation of the crystal structure, electronic transport, thermal transport, magnetism, and optical properties. The vast majority of studies, however, have focused heavily on the perovskite and brownmillerite end points. In contrast, here we focus on hysteresis and reversibility across the entire perovskite ↔ brownmillerite topotactic transformation, combining gate-voltage hysteresis loops, minor hysteresis loops, quantitative operando synchrotron X-ray diffraction, and temperature-dependent (magneto)transport, on ion-gel-gated ultrathin (10-unit-cell) epitaxial La 0.5 Sr 0.5 CoO 3-δ films. Further, gate-voltage hysteresis loops combined with operando diffraction reveal a wealth of new mechanistic findings, including asymmetric redox kinetics due to differing oxygen diffusivities in the two phases, nonmonotonic transformation rates due to the first-order nature of the transformation, and limits on reversibility due to first-cycle structural degradation. Minor loops additionally enable the first rational design of an optimal gate-voltage cycle. Combining this knowledge, we demonstrate state-of-the-art nonvolatile cycling of electronic and magnetic properties, encompassing >10 5 transport ON/OFF ratios at room temperature, and reversible metal-insulator-metal and ferromagnet-nonferromagnet-ferromagnet cycling, all at 10-unit-cell thickness with high room-temperature stability. This paves the way for future work to establish the ultimate cycling frequency and endurance of such devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

$|\Delta \mathcal{B}| =2$: A State of the Field, and Looking Forward--A brief status report of theoretical and experimental physics opportunities

The origin of the matter-antimatter asymmetry apparently obligates the laws of physics to include some mechanism of baryon number ($\mathcal{B}$) violation. Searches for interactions violating $\mathcal{B}$ and baryon-minus-lepton number $\mathcal{(B-L)}$ represent a rich and underutilized opportunity. These are complementary to the existing, broad program of searches for $\mathcal{L}$-violating modes such as neutrinoless double $\beta$-decay which could provide deeper understandings of the plausibility of leptogenesis, or $\mathcal{B}$-violating, $\mathcal{(B-L)}$-conserving processes such as proton decay. In particular, a low-scale, post-sphaleron violation mechanism of $\mathcal{(B-L)}$ could provide a \textit{testable} form of baryogenesis. Though theoretically compelling, searches for such $\mathcal{(B-L)}$-violating processes like $\Delta\mathcal{B}=2$ dinucleon decay and $n\rightarrow\bar{n}$ remain relatively underexplored experimentally compared to other rare processes. By taking advantage of upcoming facilities such as the Deep Underground Neutrino Experiment and the European Spallation Source, this gap can be addressed with new intranuclear and free searches for neutron transformations with very high sensitivity, perhaps greater than three orders of magnitude higher than previous experimental searches. This proceedings reports on recent theoretical and experimental advances and sensitivities of next-generation searches for neutron transformations were detailed as part of the Amherst Center for Fundamental Interactions Workshop, "Theoretical Innovations for Future Experiments Regarding Baryon Number Violation," directly coordinated with the Rare Processes and Precision Measurements Frontier.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗