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Status of linear boundary-layer stability and the e to the nth method, with emphasis on swept-wing applications

The-state-of-the-art for the application of linear stability theory and the e to the nth power method for transition prediction and laminar flow control design are summarized, with analyses of previously published low disturbance, swept wing data presented. For any set of transition data with similar stream distrubance levels and spectra, the e to the nth power method for estimating the beginning of transition works reasonably well; however, the value of n can vary significantly, depending upon variations in disturbance field or receptivity. Where disturbance levels are high, the values of n are appreciably below the usual average value of 9 to 10 obtained for relatively low disturbance levels. It is recommended that the design of laminar flow control systems be based on conservative estimates of n and that, in considering the values of n obtained from different analytical approaches or investigations, the designer explore the various assumptions which entered into the analyses.

Hefner, J. N.

Multiple Coarse Grid Multigrid Methods for Solving Elliptic Problems

In this paper we describe some classes of multigrid methods for solving large linear systems arising in the solution by finite difference methods of certain boundary value problems involving Poisson's equation on rectangular regions. If parallel computing systems are used, then with standard multigrid methods many of the processors will be idle when one is working at the coarsest grid levels. We describe the use of Multiple Coarse Grid MultiGrid (MCGMG) methods. Here one first constructs a periodic set of equations corresponding to the given system. One then constructs a set of coarse grids such that for each grid corresponding to the grid size h there are four grids corresponding to the grid size 2*h. Multigrid operations such as restriction of residuals and interpolation of corrections are done in parallel at each grid level. For suitable choices of the multigrid operators the MCGMG method is equivalent to the Parallel Superconvergent MultiGrid (PSMG) method of Frederickson and McBryan. The convergence properties of MCGMG methods can be accurately analyzed using spectral methods.

Xiao, Shengyou

Optimal application of Morrison's iterative noise removal for deconvolution. Appendices

Morrison's iterative method of noise removal, or Morrison's smoothing, is applied in a simulation to noise-added data sets of various noise levels to determine its optimum use. Morrison's smoothing is applied for noise removal alone, and for noise removal prior to deconvolution. For the latter, an accurate method is analyzed to provide confidence in the optimization. The method consists of convolving the data with an inverse filter calculated by taking the inverse discrete Fourier transform of the reciprocal of the transform of the response of the system. Various length filters are calculated for the narrow and wide Gaussian response functions used. Deconvolution of non-noisy data is performed, and the error in each deconvolution calculated. Plots are produced of error versus filter length; and from these plots the most accurate length filters determined. The statistical methodologies employed in the optimizations of Morrison's method are similar. A typical peak-type input is selected and convolved with the two response functions to produce the data sets to be analyzed. Both constant and ordinate-dependent Gaussian distributed noise is added to the data, where the noise levels of the data are characterized by their signal-to-noise ratios. The error measures employed in the optimizations are the L1 and L2 norms. Results of the optimizations for both Gaussians, both noise types, and both norms include figures of optimum iteration number and error improvement versus signal-to-noise ratio, and tables of results. The statistical variation of all quantities considered is also given.

Ioup, George E.

Anharmonic Vibrational Spectroscopy of the F-(H20)n, complexes, n=1,2

We report anharmonic vibrational spectra (fundamentals, first overtones) for the F-(H(sub 2)O) and F-(H(sub 2)O)2 clusters computed at the MP2 and CCSD(T) levels of theory with basis sets of triple zeta quality. Anharmonic corrections were estimated via the correlation-corrected vibrational self-consistent field (CC-VSCF) method. The CC-VSCF anharmonic spectra obtained on the potential energy surfaces evaluated at the CCSD(T) level of theory are the first ones reported at a correlated level beyond MP2. We have found that the average basis set effect (TZP vs. aug-cc-pVTZ) is on the order of 30-40 cm(exp -1), whereas the effects of different levels of electron correlation [MP2 vs. CCSD(T)] are smaller, 20-30 cm(exp -1). However, the basis set effect is much larger in the case of the H-bonded O-H stretch of the F-(H(sub 2)O) cluster amounting to 100 cm(exp -1) for the fundamentals and 200 cm (exp -1) for the first overtones. Our calculations are in agreement with the limited available set of experimental data for the F-(H(sub 2)O) and F-(H(sub 2)O)2 systems and provide additional information that can guide further experimental studies.

Chaban, Galina M.

Review of Terrestrial Photovoltaic Measurements Workshop

Measurement methods for terrestrial solar cells require calibration standards to set simulator irradiance levels or to monitor solar irradiance in outdoor measurements. Measurements of solar cell performance in terrestrial sunlight are the most acceptable, but an artificial light source can be used for laboratory measurements.

Brandhorst, H. W., Jr.

Using rewards and penalties to obtain desired subject performance

Operant conditioning procedures, specifically the use of negative reinforcement, in achieving stable learning behavior is described. The critical tracking test (CTT) a method of detecting human operator impairment was tested. A pass level is set for each subject, based on that subject's asymptotic skill level while sober. It is critical that complete training take place before the individualized pass level is set in order that the impairment can be detected. The results provide a more general basis for the application of reward/penalty structures in manual control research.

Cook, M.

Extensions of the CSCM methodology for nonequilibrium reacting gas flows

The paper describes the extension of the CSCM flux difference splitting to produce conservative unconditionally stable implicit upwind methods for the extended equation set. The CSCM-S single data level relaxation algorithm is argued to be particularly advantageous for efficiently solving the set of equations. Attention is given to issues of alternative state variable representations and to complementary thermodynamic relations that parameterize and need to be effectively coupled with the solution procedure for the partial differential equations. Within the framework of iteration, consideration is given to more efficient approximate solution procedures than the full block coupled LU decomposition. Results of early numerical experiments are given to illustrate the developments.

Lombard, C. K.

Lower Bounds for the Energy Levels of Anharmonic Oscillators

The lower‐bounds method presented by Löwdin in the preceding paper has been applied to oscillators perturbed by third‐ and fourth‐power terms in the potential‐energy expression. For favorable cases agreement between upper and lower bounds is easily carried to many more figures than are likely to be physically significant. In many cases the lower bounds agreed more closely to the true eigenvalue than did the corresponding upper bounds. For a given basis set, this method gives closer bounds than that of Bazley and Fox, except for energy levels too high to be satisfactorily treated in the given basis. The only disadvantage found was that for close bounds double precision proved necessary, indicating more than ordinary loss of computational accuracy.

Reid, Charles E.

Predesign of diamond turned refractive/diffractive elements for IR objectives

Diffractive lenses have arrived. Literally hundreds of papers have been published and technology impact reports have been written about the exciting addition of a new tool for the lens designer. Sophisticated computer programs have been developed to aid in the optimization of these diffractive phase profiles for a wide variety of applications. Now, several fabrication methods are being pursued to produce these diffractive elements economically. The best known process is the etching of a multi-level relief grating, known as binary optics. This process uses sets of computer generated lithographic masks. Another, more recently developed method is Dry Photopolymer Embossing (DPE). This replication process uses master holograms. And now, diamond turning is being applied for the machining of these elements. Diamond turning is especially well suited for infrared optics. As any process has advantages and limitations, so has diamond turning. These advantages and limitations are discussed and general guidelines are presented to aid the designer and systems engineer in the project predesign stage.

Riedl, Max J.

Computational studies of metal-metal and metal-ligand interactions

Accurate calculations on the bond length, dipole moment, and harmonic frequency of CO are presented, using large basis sets and high levels of electron correlation. The geometric structure, force constants and binding energies of Cr(C0)6 and Cr(CO)5 are computed using large basis sets and high levels of electron correlation. The molecule 04(+) is studied, using large basis sets and high levels of electron correlation, including the CASSCF, CASSI and CASPT2 methods. Binding energies, geometries and frequencies are computed. Symmetry breaking is a particular problem for the antisymmetric stretch, which is addressed using the CASSI method. The symmetry breaking problem in 04(+) has also been studied using the Brueckner coupled cluster method. This gives results in good agreement with CASSI. A multi-region numerical integration scheme is investigated for use in Density Functional Calculations. This scheme is found to give comparable results to a widely used scheme based on the Euler-Maclaurin technique.

Barnes, Leslie A.

Computational studies of metal-metal and metal-ligand interactions

Accurate calculations on the bond length, dipole moment, and harmonic frequency of CO are presented, using large basis sets and high levels of electron correlation. The geometric structure, force constants and binding energies of Cr(CO)6 and Cr(CO)5 are computed using large basis sets and high levels of electron correlation. The molecule O4(+) is studied, using large basis sets and high levels of electron correlation, including the CASSCF, CASSI,and CASPT2 methods. Binding energies, geometries and frequencies are computed. Symmetry breaking is a particular problem for the antisymmetric stretch, which is addressed using the CASSI method. The symmetry breaking problem in O4(+) has also been studied using the Brueckner coupled-cluster method. This gives results in good agreement with CASSI. A multi-region numerical integration scheme is investigated for use in Density Functional Calculations. This scheme is found to give comparable results to a widely used scheme based on the Euler-Maclaurin technique.

Barnes, Leslie A.

A multilevel method for structural synthesis

A multilevel method for structural synthesis based on finite element modeling at both the system and the substructure level is set forth. At the system level, the design is described using basis vectors generated via substructure design modification. Whenever possible, substructure constraints are satisfied via local material redistribution. At both the system level and the substructure level, design modification is carried out by solving a sequence of approximate problems. The method generates upper bound approximations for the optimum design and it has potential for substantial gains in computational efficiency, because the uncoupled substructure design modification problems can be processed in parallel.

Schmit, L. A.

New York City Panel on Climate Change 2019 Report Chapter 4: Coastal Flooding

Coastal flooding from storm surge is one of the most dangerous and damaging natural hazards that societies face. It was responsible for half of all hurricane related mortalities in the United States from 1963 to 2012, far more than any other factor. Coastal extreme water levels are increasing globally, mainly driven by rises in mean sea level. Sea level rise is also causing rapid increases in the annual number of shallow “nuisance floods” for low-lying neighborhoods. The objectives of this chapter are to review the latest knowledge on New York City flood risk from storms and tides, and to evaluate how climate change will affect this risk between now and the end of the century. Methods used by NPCC (2015) for assessing storm-driven extreme floods are generally repeated here, including the use of the Federal Emergency Management Agency (FEMA, 2013) baseline flood hazards (e.g., the 100-year flood(sup a)) and the methods for adding sea level rise and mapping the resulting hazard. New advancements include an innovative analysis of monthly tidal flooding based on a dynamic model, a broadened set of sea level rise scenarios supplemented with the Antarctic Rapid Ice Melt (ARIM) scenario (see Chapter 3), and sensitivity analyses that show how differing methods would affect our results. Wind is a primary factor for coastal storm surge, and a brief review is given in Appendix 4.A, with the latest scientific knowledge on what drives extreme wind events in the New York City area and how they may change in the future.

Orton, Philip

Uncertainties in Atomic Data and Their Propagation Through Spectral Models. I.

We present a method for computing uncertainties in spectral models, i.e., level populations, line emissivities, and emission line ratios, based upon the propagation of uncertainties originating from atomic data.We provide analytic expressions, in the form of linear sets of algebraic equations, for the coupled uncertainties among all levels. These equations can be solved efficiently for any set of physical conditions and uncertainties in the atomic data. We illustrate our method applied to spectral models of Oiii and Fe ii and discuss the impact of the uncertainties on atomic systems under different physical conditions. As to intrinsic uncertainties in theoretical atomic data, we propose that these uncertainties can be estimated from the dispersion in the results from various independent calculations. This technique provides excellent results for the uncertainties in A-values of forbidden transitions in [Fe ii]. Key words: atomic data - atomic processes - line: formation - methods: data analysis - molecular data - molecular processes - techniques: spectroscopic

linear sets

A multi-level solution algorithm for steady-state Markov chains

A new iterative algorithm, the multi-level algorithm, for the numerical solution of steady state Markov chains is presented. The method utilizes a set of recursively coarsened representations of the original system to achieve accelerated convergence. It is motivated by multigrid methods, which are widely used for fast solution of partial differential equations. Initial results of numerical experiments are reported, showing significant reductions in computation time, often an order of magnitude or more, relative to the Gauss-Seidel and optimal SOR algorithms for a variety of test problems. The multi-level method is compared and contrasted with the iterative aggregation-disaggregation algorithm of Takahashi.

Horton, Graham

The special effort processing of FGGE data

The basic FGGE level IIb data set was enhanced. It focused on removing deficiencies in the objective methods of quality assurance, removing efficiencies in certain types of operationally produced satellite soundings, and removing deficiencies in certain types of operationally produced cloud tracked winds. The Special Effort was a joint NASA-NOAA-University of Wisconsin effort. The University of Wisconsin installed an interactive McIDAS capability on the Amdahl computer at the Goddard Laboratory of Atmospheric Sciences (GLAS) with one interactive video terminal at Goddard and the other at the World Weather Building. With this interactive capability a joint processing effort was undertaken to reprocess certain FGGE data sets. NOAA produced a specially edited data set for the special observing periods (SOPs) of FGGE. NASA produced an enhanced satellite sounding data set for the SOPs while the University of Wisconsin produced an enhanced cloud tracked wind set from the Japanese geostationary satellite images.

Source record

The determination of accurate dipole polarizabilities alpha and gamma for the noble gases

The static dipole polarizabilities alpha and gamma for the noble gases helium through xenon were determined using large flexible one-particle basis sets in conjunction with high-level treatments of electron correlation. The electron correlation methods include single and double excitation coupled-cluster theory (CCSD), an extension of CCSD that includes a perturbational estimate of connected triple excitations, CCSD(T), and second order perturbation theory (MP2). The computed alpha and gamma values are estimated to be accurate to within a few percent. Agreement with experimental data for the static hyperpolarizability gamma is good for neon and xenon, but for argon and krypton the differences are larger than the combined theoretical and experimental uncertainties. Based on our calculations, we suggest that the experimental value of gamma for argon is too low; adjusting this value would bring the experimental value of gamma for krypton into better agreement with our computed result. The MP2 values for the polarizabilities of neon, argon, krypton and zenon are in reasonabe agreement with the CCSD and CCSD(T) values, suggesting that this less expensive method may be useful in studies of polarizabilities for larger systems.

Rice, Julia E.

A Systematic Approach to Developing Paths Towards Airborne Vehicle Autonomy

Advanced Air Mobility (AAM) demands greater levels of aircraft autonomy than are currently implemented today. To enable this requirement, novel aircraft functionalities and technologies as well as supporting airworthiness and operational regulations are required. A structured method to derive a comprehensive list of aircraft level decision-making functions is defined and applied. The resulting function set is programmed into an ontology, and enables autonomous decision-making through the application of a defined decision-making process. Paths to implementing the functions are generated by applying a structured four step method. By surveying current technologies, airspace, procedures and regulations, the paths generation method defines incremental paths to autonomy that the current regulatory environment can support. Opportunities to implement novel technologies and functions are identified, and regulatory mechanisms supporting their implementation are underscored. The analysis provides the tools to further define aircraft functions and paths to their implementation, while demonstrating that for particular use cases, aircraft autonomy is attainable in the medium-term.

Paul Vajda