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At least 613 records · Page 34

Mathematical Description of Complex Chemical Kinetics and Application to CFD Modeling Codes

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Bittker, D. A.↗

Modeling X-Ray Binary Evolution in Normal Galaxies: Insights from SINGS

We present the largest-scale comparison to date between observed extragalactic X-ray binary (XRB) populations and theoretical models of their production. We construct observational X-ray luminosity functions (oXLFs) using Chandra observations of 12 late-type galaxies from the Spitzer Infrared Nearby Galaxy Survey (SINGS). For each galaxy, we obtain theoretical XLFs (tXLFs) by combining XRB synthetic models, constructed with the population synthesis code StarTrack, with observational star formation histories (SFHs). We identify highest-likelihood models both for individual galaxies and globally, averaged over the full galaxy sample. Individual tXLFs successfully reproduce about half of oXLFs, but for some galaxies we are unable to find underlying source populations, indicating that galaxy SFHs and metallicities are not well matched and/or XRB modeling requires calibration on larger observational samples. Given these limitations, we find that best models are consistent with a product of common envelope ejection efficiency and central donor concentration approx.. = 0.1, and a 50% uniform - 50% "twins" initial mass-ratio distribution. We present and discuss constituent subpopulations of tXLFs according to donor, accretor and stellar population characteristics. The galaxy-wide X-ray luminosity due to low-mass and high-mass XRBs, estimated via our best global model tXLF, follows the general trend expected from the L(sub X) - star formation rate and L(sub X) - stellar mass relations of Lehmer et al. Our best models are also in agreement with modeling of the evolution both of XRBs over cosmic time and of the galaxy X-ray luminosity with redshift.

Normal Galaxies↗

Modelling the near-Earth space environment using LDEF data

Near-Earth space is a dynamic environment, that is currently not well understood. In an effort to better characterize the near-Earth space environment, this study compares the results of actual impact crater measurement data and the Space Environment (SPENV) Program developed in-house at POD, to theoretical models established by Kessler (NASA TM-100471, 1987) and Cour-Palais (NASA SP-8013, 1969). With the continuing escalation of debris there will exist a definite hazard to unmanned satellites as well as manned operations. Since the smaller non-trackable debris has the highest impact rate, it is clearly necessary to establish the true debris environment for all particle sizes. Proper comprehension of the near-Earth space environment and its origin will permit improvement in spacecraft design and mission planning, thereby reducing potential disasters and extreme costs. Results of this study directly relate to the survivability of future spacecraft and satellites that are to travel through and/or reside in low Earth orbit (LEO). More specifically, these data are being used to: (1) characterize the effects of the LEO micrometeoroid an debris environment on satellite designs and components; (2) update the current theoretical micrometeoroid and debris models for LEO; (3) help assess the survivability of spacecraft and satellites that must travel through or reside in LEO, and the probability of their collision with already resident debris; and (4) help define and evaluate future debris mitigation and disposal methods. Combined model predictions match relatively well with the LDEF data for impact craters larger than approximately 0.05 cm, diameter; however, for smaller impact craters, the combined predictions diverge and do not reflect the sporadic clouds identified by the Interplanetary Dust Experiment (IDE) aboard LDEF. The divergences cannot currently be explained by the authors or model developers. The mean flux of small craters (approximately 0.05 cm diameter) is overpredicted by Kessler and underpredicted by Cour-Palais. This divergence may be a result of beta-meteoroid fluxes, elliptical orbits or a combination of the two. The results of this study illustrate the definite need for more intensive study of the near-Earth space environment, particularly the small particle regime, as it is the most degrading to spacecraft in LEO.

Atkinson, Dale R.↗

Flight-Test Evaluation of Flutter-Prediction Methods

The flight-test community routinely spends considerable time and money to determine a range of flight conditions, called a flight envelope, within which an aircraft is safe to fly. The cost of determining a flight envelope could be greatly reduced if there were a method of safely and accurately predicting the speed associated with the onset of an instability called flutter. Several methods have been developed with the goal of predicting flutter speeds to improve the efficiency of flight testing. These methods include (1) data-based methods, in which one relies entirely on information obtained from the flight tests and (2) model-based approaches, in which one relies on a combination of flight data and theoretical models. The data-driven methods include one based on extrapolation of damping trends, one that involves an envelope function, one that involves the Zimmerman-Weissenburger flutter margin, and one that involves a discrete-time auto-regressive model. An example of a model-based approach is that of the flutterometer. These methods have all been shown to be theoretically valid and have been demonstrated on simple test cases; however, until now, they have not been thoroughly evaluated in flight tests. An experimental apparatus called the Aerostructures Test Wing (ATW) was developed to test these prediction methods.

Lind, RIck↗

Inclination and orbital-phase-dependent resonance line-profile calculations applied to cataclysmic variable winds

The implications of IUE resonance-line profiles of novalike variables and dwarf novae in outburst for theoretical models in which these objects are formed in constant-ionization stellar winds are investigated theoretically, with a focus on the 1549-A line of C IV. The model proposed by Drew (1986) is extended and refined to account for arbitrary inclinations of the large opaque continuum-emitting disk and the presence of a dark binary companion; the data and results are presented in extensive diagrams and graphs and characterized in detail. Findings reported include a wind C(3+) number density an order of magnitude or more greater than the density of Si(3+) and N(4+) and wind mass-loss rates greater than about 10 to the -10th solar mass/yr.

Drew, J. E.↗

Description of statistical methods and a routine for determining the parameters of a model in processing experimental results

A computer routine is suggested for selecting the optimum parameters of a theoretical model and determining the errors in them due to errors in physical measurements and for evaluating the conformity of theory with the experiment. The paper describes the specification sequence for the input data and the format of the calculation results. Sample printouts are appended.

Usikov, D. A.↗

Selection of a model of Earth's albedo radiation, practical calculation of its effect on the trajectory of a satellite

Theoretical models of Earth's albedo radiation was proposed. By comparing disturbing accelerations computed from a model to those measured in flight with the CACTUS Accelerometer, modified according to the results. Computation of the satellite orbit perturbations from a model is very long because for each position of this satellite the fluxes coming from each elementary surface of the terrestrial portion visible from the satellite must be summed. The speed of computation is increased ten times without significant loss of accuracy thanks to a stocking of some intermediate results. Now it is possible to confront the orbit perturbations computed from the selected model with the measurements of these perturbations found with satellite as LAGEOS.

Walch, J. J.↗

Modeling of the transient ignition of a nonmetal/oxygen system by heterogeneous reaction - Effects of oxygen pressure

A theoretical model of the transient ignition of a nonmetallic polymer in a pure oxygen environment was developed and used to assess the safety of an oxygen system under elevated pressure. Results demonstrated that, for a general oxygen system, the ignition temperautre is sensitive to the external heating rate as well as such system parameters as the minimum ignition heat flux and the corresponding minimum ignition temperature. As the oxygen pressure increases, the minimum ignition temperature decreases, until, at a sufficiently high oxygen pressure, spontaneous ignition occurs. Numerical results generated by the model were correlated with the reported ignition data for polyethylene, Teflon, and nylon.

Yuen, Walter W.↗

Rethinking Use of the OML Model in Electric Sail Development

In 1924, Irvin Langmuir and H. M. Mott-Smith published a theoretical model for the complex plasma sheath phenomenon in which they identified some very special cases which greatly simplified the sheath and allowed a closed solution to the problem. The most widely used application is for an electrostatic, or "Langmuir," probe in laboratory plasma. Although the Langmuir probe is physically simple (a biased wire) the theory describing its functional behavior and its current-voltage characteristic is extremely complex and, accordingly, a number of assumptions and approximations are used in the LMS model. These simplifications, correspondingly, place limits on the model's range of application. Adapting the LMS model to real-life conditions is the subject of numerous papers and dissertations. The Orbit-Motion Limited (OML) model that is widely used today is one of these adaptions that is a convenient means of calculating sheath effects. Since the Langmuir probe is a simple biased wire immersed in plasma, it is particularly tempting to use the OML equation in calculating the characteristics of the long, highly biased wires of an Electric Sail in the solar wind plasma. However, in order to arrive at the OML equation, a number of additional simplifying assumptions and approximations (beyond those made by Langmuir-Mott-Smith) are necessary. The OML equation is a good approximation when all conditions are met, but it would appear that the Electric Sail problem lies outside of the limits of applicability.

Stone, Nobie H.↗

Observation of flow vector fluctuations in p–Pb collisions at \(\sqrt{{s}_{NN}}=5.02\) TeV

Measurements of transverse momentum (pT) and pseudorapidity (η) dependent flow vector fluctuations in p–Pb collisions at $$\sqrt{{s}_{NN}}=5.02$$ TeV at the CERN Large Hadron Collider are presented. By studying long-range two-particle correlations with a template fit method, potential biases from non-flow effects such as jets and resonance decays are effectively suppressed. Significant pT- and η-dependent fluctuations of the second-harmonic flow vector are observed with more than 5σ confidence in p–Pb collisions, similar to the observations in Pb–Pb collisions. The influence of residual non-flow effects has been evaluated and cannot account for the observed fluctuations, thereby confirming the observation of flow vector fluctuations in small collision systems at the LHC. Comparisons to model calculations from 3DGlauber+MUSIC+UrQMD and the parton transport model from AMPT are also presented. The measurements provide constraints on the theoretical modelling of the three-dimensional initial geometry and its event-by-event fluctuations, offering critical insights into the origin of collective flow in small collision systems at the LHC.

Abdallah, D A H↗

Electrochemical Li Intercalation in Black Phosphorus: In Situ and Ex Situ Studies

A systematic study on electrochemical charge transfer in Li-doped black phosphorous (BP) was carried out by both in-situ and ex-situ Raman scattering. Galvanostatic discharge of dedicated in-situ electrochemical cell for Raman spectroscopy was used to study time evolution of vibrational modes under lithiation. In addition to the peak broadening which is a result of structural expansion, peaks corresponding to all three atomic vibrational modes A 1 g , B 2 g and A 2 g were found to red-shift as a result of lithiation. Peaks B 2 g and A 2 g were shifted about 1.6 times more towards lower wavenumbers in comparison to A 1 g . Further characterizations using optical and electron microscopy showed that the intercalation of BP is highly anisotropic, where channels along the zigzag direction were found to be the easy direction for intercalation. X-ray diffraction on intercalated samples confirmed a reduction of thickness as lithiation weakens interlayer bonding, thus resulting in a partial exfoliation of BP flakes. Here, first principle studies using density function theory (DFT) were used to develop a theoretical model for the intercalation mechanism. The discrepancy between the experimental and the theoretical results was also addressed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Selective acoustic control of photon-mediated qubit-qubit interactions

Quantum technologies such as quantum sensing, quantum imaging, quantum communications, and quantum computing rely on the ability to actively manipulate the quantum state of light and matter. Quantum emitters, such as color centers trapped in solids, are a useful platform for the realization of elementary building blocks (qubits) of quantum information systems. In particular, the modular nature of such solid-state devices opens up the possibility to connect them into quantum networks and create nonclassical states of light shared among many qubits. The function of a quantum network relies on efficient and controllable interactions among individual qubits. In this context, we present a scheme where optically active qubits of differing excitation energies are mutually coupled via a dispersive interaction with a shared mode of an optical cavity. This generally off-resonant interaction is prohibitive of direct exchange of information among the qubits. However, we propose a scheme in which by acoustically modulating the qubit excitation energies it is, in fact, possible to tune to resonance a preselected pair of qubits and thus open a communication channel between them. This method potentially enables fast (approximately nanoseconds) and parallelizable on-demand control of a large number of physical qubits. In this work, we develop an analytical and a numerical theoretical model demonstrating this principle and suggest feasible experimental scenarios to test the theoretical predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Basic Research in Edge and Scrape-Off Layer Fusion Plasmas (Final Report)

U.S. Department of Energy (DOE) supported work at Lodestar Research Corporation under grant DE-FG02-97ER54392 is summarized in this final report. The research conducted under this grant addressed key scientific issues associated with boundary plasmas in fusion energy experimental devices. Harnessing the energy that is released in fusion reactions would provide a safe and abundant source of power to meet the growing energy needs of the world population. Lodestar investigated the important cm-scale region near the edge of these devices where hot plasma, close to one million degrees, meets material surfaces in what is known as a scrape-off layer (SOL). This critical region is subject to plasma turbulence and plasma flows which must be understood to optimize fusion performance on future machines. Strong interactions of applied RF waves is also observed to occur in this region, and must be understood to mitigate unwanted effects and enhance overall performance. The work employed theoretical models and theory-based computational models for validation. The models were applied to understand experimental results and to carry out basic theoretical investigations relevant to the production of fusion energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experiments on the dynamic behavior of cavitating pumps

This paper describes experiments performed to measure the dynamic transfer matrices for cavitating (and noncavitating) pumps. These transfer matrices describe the relationship between small linear oscillatory perturbations in the pressures and mass flow rates at inlet and discharge from the hydraulic machine. The matrices were deduced from direct measurements of these fluctuating quantities for different modes of excitation of the machine. Results for a cavitating inducer are presented as functions of frequency and mean operating state. Though some of the trends in the data are consistent with existing theoretical models of inducer dynamics, others are not, indicating a need for further theoretical investigation of the dynamic characteristics of such flows. The results exhibit increasingly complex dynamics with increasing cavitation; it appears that the hydraulic machine deviates from an essentially passive response without cavitation to an increasingly active response as the cavitation number is reduced.

Ng, S. L.↗

Effect of tree structure on X-band microwave signature of conifers

Experimental studies are performed on some coniferous trees (Austrian pine, Nordmann spruce, and Norway spruce) to investigate the relation between the tree architecture and radar signal at X-band. For a single tree, the RCS is measured as a function of the scatterer location at 90 deg incidence. It is found that the main scatterers are the leafy branches and the difference between sigma(vv) and sigma(hh) is significant at the upper portion of the tree. At the lower portion of the tree, sigma(vv) and sigma(hh) have almost the same level. For a group of trees the angular trends of sigma(vv) and sigma(hh) are measured. It is found that the levels of sigma(vv) and sigma(hh) are of the same order, but their angular trends vary from one tree species to the other depending on the tree species structure. The interpretation of these experimental results is carried out with the help of a theoretical model which accounts for the structure of the tree. According to this theoretical study, the major scattering trend is due to the leaves, while the perturbation to the angular trend and the level difference between sigma(vv) and sigma(hh) are due to the branch orientation distributions (i.e., the tree architecture).

Mougin, Eric↗

WFPC2 Observations of Star Clusters in the Magellanic Clouds: The Oldest Star Clusters in the Small Magellanic Cloud - Report 2

We present our analysis of archival Hubble Space Telescope Wide Field Planetary Camera 2 (WFPC2) observations in F45OW ( approximately B) and F555W (approximately V) of the intermediate-age populous star clusters NGC 121, NGC 339, NGC 361, NGC 416, and Kron 3 in the Small Magellanic Cloud. We use published photometry of two other SMC populous star clusters, Lindsay 1 and Lindsay 113, to investigate the age sequence of these seven populous star clusters in order to improve our understanding of the formation chronology of the SMC. We analyzed the V vs B-V and M(sub V) vs (B-V)(sub 0) color-magnitude diagrams of these populous Small Magellanic Cloud star clusters using a variety of techniques and determined their ages, metallicities, and reddenings. These new data enable us to improve the age-metallicity relation of star clusters in the Small Magellanic Cloud. In particular, we find that a closed-box continuous star-formation model does not reproduce the age-metallicity relation adequately. However, a theoretical model punctuated by bursts of star formation is in better agreement with the observational data presented herein.

Mighell, Kenneth J.↗

Model for nuclear spin product-state distributions of ultracold chemical reactions in magnetic fields

Based on a theoretical model where the nuclear spins remain unchanged during a collision, we provide an analytical and general expression for the nuclear spin state-to-state distribution of an ultracold diatom-diatom chemical reaction in a magnetic field, for given rotational transitions of the molecules. It simply requires knowledge of the field-dependent eigenfunctions of the molecular reactants and products of the chemical reaction. The final state-to-state distribution drastically changes with the magnetic field. When the distribution is summed over all the final products, a simplified expression is found where only the knowledge of the eigenfunctions of the molecular reactants is required. The present theoretical formalism has been successfully used to explain the magnetic field behavior of the product-state distribution in chemical reactions of ultracold KRb molecules [Hu et al., Nat. Chem. 13, 435 (2021)].

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

On the two-dimensional modelling of horizontal CVD reactors and its limitations

In order to clarify under what conditions two-dimensional theoretical models can realistically account for the actual growth rate distribution in horizontal CVD reactors, a systematic numerical study was performed, and the results were compared with published experimental data for the MOCVD of gallium arsenide. Three models of increasing complexity were studied. It is shown that two-dimensional models can produce realistic predictions only for reactors with large width-to-height (aspect) ratios, that are operated at subcritical Rayleigh number,i.e., under dominant forced flow conditions. But even then, depending on the carrier gas, thermal (Soret) diffusion must be included in the model. Furthermore, velocity corrections for finite aspect ratios must be made, and buoyancy effects can be significant in the entrance region. On the other hand, the results are relatively insensitive to axial diffusion, temperature dependence of transport properties (versus averaged properties), and an assumed Poiseuille velocity profile (versus a rigorous solution of the velocity field). Yet, boundary layer approximations are prone to give unrealistic results at the low Reynolds numbers typical for CVD operations.

Ouazzani, Jalil↗