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At least 1,153 records · Page 64

Analysis of vibrations of the National Transonic Facility model support system using a 3-D aeroelastic code

Vibrations of the National Transonic Facility model support system were analyzed using Computational Aeroelasticity Program-Transonic Small Disturbance, a three-dimensional transonic small disturbance code designed for aeroelastic analysis of complete aircraft. The model support system was represented as a tunnel-spanning flexible wing whose structural properties were obtained from measured responses. Aeroelastic transients were calculated and analyzed to obtain modal stability characteristics. The results show that there is tendency to exhibit a hump mode instability in one of the modes, and that there are other weakly damped or unstable modes. Most of the motion is in the aft section of the model support system. The close proximity of the solid wind-tunnel diffuser side walls to the model support system is shown to have adverse effects on its aeroelastic stability characteristics. When the effects of the wind-tunnel walls are modeled, the analyses indicate the presence of wind-tunnel resonance modes which are not present when free-air boundary conditions are used.

Whitlow, Woodrow, Jr.↗

Analysis of aeroelastic and resonance responses of a wind tunnel model support system

Vibrations of the National Transonic Facility model support system were analyzed using CAP-TSD (Computational Aeroelasticity Program-Transonic Small Disturbance), a three-dimensional transonic small disturbance potential code designed for aeroelastic analysis of complex configurations. The model support system was represented as a tunnel-spanning flexible wing whose structural properties were obtained from measured responses. Aeroelastic transients were calculated, assuming no structural damping, and analyzed to obtain modal stability characteristics. The results showed that there is a tendency toward a hump mode instability in one of the modes and that there are other weakly damped or unstable modes. The close proximity of the solid wind-tunnel diffuser side walls to the model support system was shown to have adverse effects on its aeroelastic stability characteristics. When the effects of the wind-tunnel walls were modeled, the analyses indicated the presence of wind-tunnel resonance modes which were not present when free-air boundary conditions were used.

Whitlow, Woodrow, Jr.↗

Dynamics and structure of turbulent premixed flames

In earlier work (Mantel & Bilger, 1994) the structure of the turbulent premixed flame was investigated using statistics based on conditional averaging with the reaction progress variable as the conditioning variable. The DNS data base of Trouve and Poinsot (1994) was used in this investigation. Attention was focused on the conditional dissipation and conditional axial velocity in the flame with a view to modeling these quantities for use in the conditional moment closure (CMC) approach to analysis of kinetics in premixed flames (Bilger, 1993). Two remarkable findings were made: there was almost no acceleration of the axial velocity in the flame front itself; and the conditional scalar dissipation remained as high, or higher, than that found in laminar premixed flames. The first finding was surprising since in laminar flames all the fluid acceleration occurs through the flame front, and this could be expected also for turbulent premixed flames at the flamelet limit. The finding gave hope of inventing a new approach to the dynamics of turbulent premixed flames through use of rapid distortion theory or an unsteady Bernoulli equation. This could lead to a new second order closure for turbulent premixed flames. The second finding was contrary to our measurements with laser diagnostics in lean hydrocarbon flames where it is found that conditional scalar dissipation drops dramatically below that for laminar flamelets when the turbulence intensity becomes high. Such behavior was not explainable with a one-step kinetic model, even at non-unity Lewis number. It could be due to depletion of H2 from the reaction zone by preferential diffusion. The capacity of the flame to generate radicals is critically dependent on the levels of H2 present (Bilger, et al., 1991). It seemed that a DNS computation with a multistep reduced mechanism would be worthwhile if a way could be found to make this feasible. Truly innovative approaches to complex problems often come only when there is the opportunity to work close at hand with the (in this case numerical) experimental data. Not only can one spot patterns and relationships in the data which could be important, but one can also get to know the limitations of the technique being used, so that when the next experiment is being designed it will address resolvable questions. A three-year grant from the Australian Research Council has enabled us to develop a small capability at the University of Sydney to work on DNS of turbulent reacting flow, and to analyze data bases generated at CTR. Collaboration between the University of Sydney and CTR is essential to this project and finding a workable modus operandum for this collaboration, given the constraints involved, has been a major objective of the past year's effort. The overall objectives of the project are: (1) to obtain a quantitative understanding of the dynamics of turbulent premixed flames at high turbulence levels with a view to developing improved second order closure models; and (2) to carry out new DNS experiments on turbulent premixed flames using a carefully chosen multistep reduced mechanism for the chemical kinetics, with a view to elucidating the laser diagnostic findings that are contrary to the findings for DNS using one-step kinetics. In this first year the objectives have been to make the existing CTR data base more accessible to coworkers at the University of Sydney, to make progress on understanding the dynamics of the flame in this existing CTR data base, and to carefully construct a suitable multistep reduced mechanism for use in a new set of DNS experiments on turbulent premixed flames.

Bilger, R. W.↗

Non-steady Reconnection in Global Simulations of Magnetosphere Dynamics

To analyze the non-steady magnetic reconnection during quasi-steady solar wind driving we employed high resolution global MHD model BATSRUS with non-MHD corrections in diffusion regions around the reconnection sites. To clarify the role of small-scale non-MHD effects on the global magnetospheric dynamic we performed simulations with different models of dissipation. We found that magnetopause surface is not in steady state even during extended periods of steady solar wind conditions. The so-called tilted reconnection lines become unstable due to formation of pressure bubbles, strong core field flux tubes, vortices, and traveling magnetic field cavities. Non-steady dayside reconnection results in formation of flux tubes with bended axis magnetically connecting magnetic field cavities generated at flanks and strong core segments formed near the subsolar region. We found that the rate of magnetic flux loading to the tail lobes is not very sensitive to the dissipation mechanism and details of the dayside reconnection. On the other hand the magnetotail reconnection rate, the speed of the reconnection site retreat and the global magnetotail dynamics strongly depend on the model of dissipation. THEMIS and Cluster observations are consistent with signatures predicted by simulations.

Kuznetsova, M. M.↗

Effect of sintering temperature on adhesion of spray-on piezoelectric transducers

Conventionally sol-gel spray-on transducers require a high-temperature (> 700 ◦C) sintering process; however, this process can affect the microstructure of the substrate material. For mechanical elbows and valves utilized for fluid transport in the energy sector, the components are designed to have a specific microstructure, and deviations from these specifications can create weak points in the system. For this reason it is important to investigate how the temperature of the deposition process affects the substrate. This paper investigates the effect of high-temperature and low-temperature (< 150 ◦C) processing conditions on the surface composition of the substrate. Furthermore, the resultant transducers from high- and low-temperature fabrication processes are compared to determine if a low-temperature processing method is feasible. For these studies a sol-gel spray-on process is employed to deposit piezoelectric ceramics onto a stainless-steel 316L substrate. Energy-dispersive X-ray spectroscopy is utilized to determine the composition of the substrate surface before and after transducer deposition. Results indicate that the high-temperature processing conditions may alter the surface composition of the metal due to a diffusion of the metal into the ceramic, which results in a metal surface that is bonded to the ceramic. Furthermore, it is shown that low-temperature processing of spray-on transducers is a viable method for transducer fabrication where the resultant transducers meet the industry minimum requirement of 30 dB signalto-noise ratio. In parallel simulation calculations, finite-element method (FEM) studies were performed to model the adhesive strength of the low-temperature processed transducer to the substrate surface. Comparisons between the simulations and experiments suggest that the bond strength is much greater than the commercial gel bonds and closer to hardened epoxy glue bonds. These results indicate that spray-on transducers fabricated under lowtemperature processing conditions are a viable solution for leave-in-place monitoring of structures.

M. Sinding, Kyle↗

Exact-to-precision generalized perturbation for neutron transport calculation

This manuscript extends the exact-to-precision generalized perturbation theory (E{sub P}GPT), introduced previously, to neutron transport calculation whereby previous developments focused on neutron diffusion calculation only. The E{sub P}GPT collectively denotes new developments in generalized perturbation theory (GPT) that place premium on computational efficiency and defendable accuracy in order to render GPT a standard analysis tool in routine design and safety reactor calculations. EPGPT constructs a surrogate model with quantifiable accuracy which can replace the original neutron transport model for subsequent engineering analysis, e.g. functionalization of the homogenized few-group cross sections in terms of various core conditions, sensitivity analysis and uncertainty quantification. This is achieved by reducing the effective dimensionality of the state variable (i.e. neutron angular flux) by projection onto an active subspace. Confining the state variations to the active subspace allows one to construct a small number of what is referred to as the 'active' responses which are solely dependent on the physics model rather than on the responses of interest, the number of input parameters, or the number of points in the state phase space. (authors)

97 MATHEMATICS AND COMPUTING↗

On the Influence of a Fuel Side Heat-Loss (Soot) Layer on a Planar Diffusion Flame

A model of the response of a diffusion flame (DF) to an adjacent heat loss or 'soot' layer on the fuel side is investigated. The thermal influence of the 'soot' or heat-loss layer on the DF occurs through the enthalpy sink it creates. A sink distribution in mixture-fraction space is employed to examine possible DF extinction. It is found that (1) the enthalpy sink (or soot layer) must touch the DF for radiation-induced quenching to occur; and (2) for fuel-rich conditions extinction is possible only for a progressively narrower range of values ot the characteristic heat-loss parameter, N(sub R)(Delta Z(sub R)) Various interpretations ot the model are discussed. An attempt is made to place this work into the context created by previous experimental and computational studies.

Wichman, Indrek S.↗

The effects of plasma diffusion and viscosity on turbulent instability growth

We perform two-dimensional simulations of strongly–driven compressible Rayleigh–Taylor and Kelvin–Helmholtz instabilities with and without plasma transport phenomena, modeling plasma species diffusion, and plasma viscosity in order to determine their effects on the growth of the hydrodynamic instabilities. Simulations are performed in hydrodynamically similar boxes of varying sizes, ranging from 1 μm to 1 cm in order to determine the scale at which plasma effects become important. Our results suggest that these plasma effects become noticeable when the box size is approximately 100 μm, they become significant in the 10 μm box, and dominate when the box size is 1 μm. Results suggest that plasma transport may be important at scales and conditions relevant to inertial confinement fusion, and that a plasma fluid model is capable of representing some of the kinetic transport effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multi-component Reynolds-averaged Navier–Stokes simulations of Richtmyer–Meshkov instability and mixing induced by reshock at different times

Turbulent mixing generated by shock-driven acceleration of a perturbed interface is simulated using a new multi-component Reynolds-averaged Navier–Stokes (RANS) model closed with a two-equation K–ϵ model. Here, the model is implemented in a hydrodynamics code using a third-order weighted essentially non-oscillatory finite-difference method for the advection terms and a second-order central difference method for the gradients in the source and diffusion terms. In the present reshocked Richtmyer–Meshkov instability and mixing study, an incident shock with Mach number Ma s = 1.20 is generated in air and progresses into a sulfur hexafluoride test section. The time evolution of the predicted mixing layer widths corresponding to six shock tube test section lengths are compared with experimental measurements and three-dimensional multi-mode numerical simulations. The mixing layer widths are also compared with the analytical self-similar power-law solution of the simplified model equations prior to reshock. A set of model coefficients and initial conditions specific to these six experiments is established, for which the widths before and after reshock agree very well with experimental and numerical simulation data. A second set of general coefficients that accommodates a broader range of incident shock Mach numbers, Atwood numbers, and test section lengths is also established by incorporating additional experimental data for Ma s = 1.24, 1.50, and 1.98 with At = 0.67 and Ma s = 1.45 with At = –0.67 and previous RANS modeling. Terms in the budgets of the turbulent kinetic energy and dissipation rate equations are examined to evaluate the relative importance of turbulence production, dissipation and diffusion mechanisms during mixing. Convergence results for the mixing layer widths, mean fields, and turbulent fields under grid refinement are presented for each of the Ma s = 1.20 cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data-driven learning of nonlocal physics from high-fidelity synthetic data

A key challenge to nonlocal models is the analytical complexity of deriving them from first principles, and frequently their use is justified a posteriori. Here, we extract nonlocal models from data, circumventing these challenges and providing data-driven justification for the resulting model form. Extracting data-driven surrogates is a major challenge for machine learning (ML) approaches, due to nonlinearities and lack of convexity — it is particularly challenging to extract surrogates which are provably well-posed and numerically stable. Our scheme not only yields a convex optimization problem, but also allows extraction of nonlocal models whose kernels may be partially negative while maintaining well-posedness even in small-data regimes. To achieve this, based on established nonlocal theory, we embed in our algorithm sufficient conditions on the non-positive part of the kernel that guarantee well-posedness of the learnt operator. These conditions are imposed as inequality constraints to meet the requisite conditions of the nonlocal theory. We demonstrate this workflow for a range of applications, including reproduction of manufactured nonlocal kernels; numerical homogenization of Darcy flow associated with a heterogeneous periodic microstructure; nonlocal approximation to high-order local transport phenomena; and approximation of globally supported fractional diffusion operators by truncated kernels.

42 ENGINEERING↗

Сoncentric GaAs Nanorings Growth Modelling

The nanostructures formation process using the droplet epitaxy technique was investigated by Monte Carlo simulation. The simulation was fulfilled for two-dimensional and three-dimensional geometry substrates. The nanostructures morphology dependence on the growth temperature was presented. Crystal clusters, single and double rings were observed. The nanostructures shape was shown to be determined by the gallium diffusion length. The conditions of double rings formation during the droplet epitaxy were considered using analytical and numerical approaches. The factors that determine the rings location and shape were analyzed. The growth morphology was demonstrated to be dependent on the initial distance L between the droplets. The double ring formation was possible at a low droplet density only, when the As-stabilized region could be created between the droplets.

36 MATERIALS SCIENCE↗

Exploring the impact of hydro-mechanical coupling on compaction localization

In deep subsurface environments, where porous rocks are saturated with fluids, hydromechanical coupling plays a critical role in the formation and propagation of localized deformation zones, such as compaction bands. In this study, we numerically investigate the influence of fluid-rock interactions on the development of compaction localization in fluid-saturated rocks. For this purpose, it uses a numerical framework that adapts the heat equation to model the diffusion of pore pressure caused by deformation. This is achieved with specialized subroutines for material behavior and heat transfer formulated within the ABAQUS platform and by allowing changes in rock permeability during strain localization. The results highlight that hydromechanical coupling significantly alters the compaction behavior compared to dry conditions. Under high confining stress, excess pore pressure inhibits the progression of compaction fronts, while in time-dependent processes like rock creep, pore pressure transients accelerate deformation by creating feedback loops between mechanical forces and fluid flow. These findings underscore the importance of saturation in controlling the dynamics of compaction localization and provide insights into the interplay between pore pressure, deformation, and permeability. The implications of this study extend to applications in geological storage, resource extraction, and subsurface geomechanics, offering a deeper understanding of coupled hydromechanical processes in porous rocks.

58 GEOSCIENCES↗

Coupling Surface Flow with High-performance Subsurface Reactive Flow and Transport Code PFLOTRAN

Water exchange between the surface and subsurface is important for both water resource management and environmental protection. In this paper, we develop coupled surface and subsurface flow simulation capability in a parallel subsurface flow and reactive transport code PFLOTRAN. We sequentially couple the diffusion wave-based surface flow with the subsurface flow governedby the Richards equation in PFLOTRAN. These two flow domains are linked with a boundary condition switching method that ensures continuity of pressure and flux at the surface-subsurface interface. We verify the coupled code against other existing hydrologic models and observation data using a number of numerical experiments. The coupled hydrological model exhibits good performance in strong parallel scaling tests. The new coupled surface and subsurface simulator significantly advance community simulation capability towards improving integrated hydrologic and biogeochemical understanding of complex systems such as watersheds and river corridors. Keywords: Surface flow, Integrated hydrological modeling, Boundary condition switching, Parallel computing

Wu, Runjian↗

Thermodynamics, morphology, and kinetics of early-stage self-assembly of π-conjugated oligopeptides

Synthetic oligopeptides containing π-conjugated cores self-assemble novel materials with attractive electronic and photophysical properties. All-atom, explicit solvent molecular dynamics simulations of Asp-Phe-Ala-Gly-OPV3-Gly-Ala-Phe-Asp peptides were used to parameterize an implicit solvent model to simulate early-stage self-assembly. Under low-pH conditions, peptides assemble into β-sheet-like stacks with strongly favorable monomer association free energies of ΔF ≈ -25kBT. Aggregation at high-pH produces disordered aggregates destabilized by Coulombic repulsion between negatively charged Asp termini (ΔF ≈ -5kBT). In simulations of hundreds of monomers over 70 ns we observe the spontaneous formation of up to undecameric aggregates under low-pH conditions. Modeling assembly as a continuous-time Markov process, we infer transition rates between different aggregate sizes and microsecond relaxation times for early-stage assembly. Our data suggests a hierarchical model of assembly in which peptides coalesce into small clusters over tens of nanoseconds followed by structural ripening and diffusion limited aggregation on longer time scales. This work provides new molecular-level understanding of early-stage assembly, and a means to study the impact of peptide sequence and aromatic core chemistry upon the thermodynamics, assembly kinetics, and morphology of the supramolecular aggregates.

36 MATERIALS SCIENCE↗

Interdiffusion and phase formation in the Fe–TiO{sub 2} thin-film system

The interaction of magnetron-sputtered metal iron with titanium-oxide films upon isothermal vacuum annealing is studied by X-ray phase analysis, secondary-ion mass spectrometry, atomic-force microscopy, and mathematical simulation. A mechanism for the formation of complex oxides at grain boundaries is suggested. The mechanism is based on the reaction diffusion of metal iron into titanium oxide. A quantitative model of reaction interdiffusion in two-layer polycrystalline metal–oxide film systems with limited component solubility is developed. From numerical analysis of the experimental distributions of the metal concentrations in the Fe–TiO{sub 2} film system, the individual diffusion coefficients are determined. It is found that, under the conditions of vacuum annealing at 1073 K, the diffusion coefficients of iron and titanium are 8.0 × 10{sup –13} and 3.0 × 10{sup –15} cm{sup 2} s{sup –1}, respectively.

36 MATERIALS SCIENCE↗

Studying Nanosecond Discharge in Argon at Atmospheric Pressure with Preionization

The influence of initial conditions on specific features of the formation and development of a cathode-directed ionization wave between two flat electrodes in argon at atmospheric pressure was studied at nanosecond time resolution using a high-speed photoelectron monitor and numerical simulations based on the two-dimensional axisymmetric diffusion–drift model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

AN ADVANCED LEAKAGE SCHEME FOR NEUTRINO TREATMENT IN ASTROPHYSICAL SIMULATIONS

We present an Advanced Spectral Leakage (ASL) scheme to model neutrinos in the context of core-collapse supernovae (CCSNe) and compact binary mergers. Based on previous gray leakage schemes, the ASL scheme computes the neutrino cooling rates by interpolating local production and diffusion rates (relevant in optically thin and thick regimes, respectively) separately for discretized values of the neutrino energy. Neutrino trapped components are also modeled, based on equilibrium and timescale arguments. The better accuracy achieved by the spectral treatment allows a more reliable computation of neutrino heating rates in optically thin conditions. The scheme has been calibrated and tested against Boltzmann transport in the context of Newtonian spherically symmetric models of CCSNe. ASL shows a very good qualitative and a partial quantitative agreement for key quantities from collapse to a few hundreds of milliseconds after core bounce. We have proved the adaptability and flexibility of our ASL scheme, coupling it to an axisymmetric Eulerian and to a three-dimensional smoothed particle hydrodynamics code to simulate core collapse. Therefore, the neutrino treatment presented here is ideal for large parameter-space explorations, parametric studies, high-resolution tests, code developments, and long-term modeling of asymmetric configurations, where more detailed neutrino treatments are not available or are currently computationally too expensive.

79 ASTRONOMY AND ASTROPHYSICS↗

The formation of molecules in interstellar clouds from singly and multiply ionized atoms

The suggestion is considered that multiply ionized atoms produced by K- and L-shell X-ray ionization and cosmic-ray ionization can undergo ion-molecule reactions and also initiate molecule production. The role of X-rays in molecule production in general is discussed, and the contribution to molecule production of the C(+) radiative association with hydrogen is examined. Such gas-phase reactions of singly and multiply ionized atoms are used to calculate molecular abundances of carbon-, nitrogen-, and oxygen-bearing species. The column densities of the molecules are evaluated on the basis of a modified version of previously developed isobaric cloud models. It is found that reactions of multiply ionized carbon with H2 can contribute a significant fraction of the observed CH in diffuse interstellar clouds in the presence of diffuse X-ray structures or discrete X-ray sources and that substantial amounts of CH(+) can be produced under certain conditions.

Langer, W. D.↗