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All sources NASA NTRS DOE OSTI

DOE OSTI2025

Conceptual study on using Doppler backscattering to measure magnetic pitch angle in tokamak plasmas

We introduce a new approach to measure the magnetic pitch angle profile in tokamak plasmas with Doppler backscattering (DBS), a technique traditionally used for measuring flows and density fluctuations. The DBS signal is maximised when its probe beam's wavevector is perpendicular to the magnetic field at the cutoff location, independent of the density fluctuations [Hillesheim \emph{et al} 2022 \emph{Nucl. Fusion} \textbf{55} 073024]. Hence, if one could isolate this effect, DBS would then yield information about the magnetic pitch angle. By varying the toroidal launch angle, the DBS beam reaches cutoff with different angles with respect to the magnetic field, but with other properties remaining similar. Hence, the toroidal launch angle which gives maximum backscattered power is thus that which is matched to the pitch angle at the cutoff location, enabling inference of the magnetic pitch angle. We performed systematic scans of the DBS toroidal launch angle for repeated DIII-D tokamak discharges. Experimental DBS data from this scan were analysed and combined with Gaussian beam-tracing simulations using the Scotty code [Hall-Chen \emph{et al} 2022 \emph{Plasma Phys. Control. Fusion} \textbf{64} 095002]. The pitch-angle inferred from DBS is consistent with that from magnetics-only and motional-Stark-effect-constrained (MSE) equilibrium reconstruction in the edge. In the core, the pitch angles from DBS and magnetics-only reconstructions differ by one to two degrees, while simultaneous MSE measurements were not available. The uncertainty in these measurements was under a degree; we show that this uncertainty is primarily due to the error in toroidal steering, the number of toroidally separated measurements, and shot-to-shot repeatability. We find that the error of pitch-angle measurements can be reduced by optimising the poloidal launch angle and initial beam properties. Since DBS has high spatial and temporal resolutions, is non-perturbative, does not require neutral beams, and is likely robust to neutron damage of and debris on the first mirrors, using DBS to measure the pitch angle in future fusion energy systems is especially appealing.

beam tracing↗

NASA NTRS1982

Kinetics of the reaction O + HO2 yields OH + O2 from 229 to 372 K

The discharge-flow resonance fluorescence technique has been used to obtain absolute rate data for the O + HO2 reaction from 229 to 372 K at a total pressure of 1 torr. Pseudo-first-order conditions were used with HO2 concentrations in large excess over initial atomic oxygen in order to minimize interference from secondary reactions. The results are independent of the method used to generate HO2 and atomic oxygen. At 299 K, the result is (6.1 + or - 0.4) x 10 to the -11th cu cm/molecule s. The temperature dependence expressed in Arrhenius form is (3.1 + or - 0.3) x 10 to the -11th exp/(+200 + or - 28)/T/. The error limits given are twice the standard deviation; overall experimental error is estimated to be + or - 25%.

Keyser, L. F.↗

NASA NTRS1999

A More Accurate and Efficient Technique Developed for Using Computational Methods to Obtain Helical Traveling-Wave Tube Interaction Impedance

The phenomenal growth of commercial communications has created a great demand for traveling-wave tube (TWT) amplifiers. Although the helix slow-wave circuit remains the mainstay of the TWT industry because of its exceptionally wide bandwidth, until recently it has been impossible to accurately analyze a helical TWT using its exact dimensions because of the complexity of its geometrical structure. For the first time, an accurate three-dimensional helical model was developed that allows accurate prediction of TWT cold-test characteristics including operating frequency, interaction impedance, and attenuation. This computational model, which was developed at the NASA Lewis Research Center, allows TWT designers to obtain a more accurate value of interaction impedance than is possible using experimental methods. Obtaining helical slow-wave circuit interaction impedance is an important part of the design process for a TWT because it is related to the gain and efficiency of the tube. This impedance cannot be measured directly; thus, conventional methods involve perturbing a helical circuit with a cylindrical dielectric rod placed on the central axis of the circuit and obtaining the difference in resonant frequency between the perturbed and unperturbed circuits. A mathematical relationship has been derived between this frequency difference and the interaction impedance (ref. 1). However, because of the complex configuration of the helical circuit, deriving this relationship involves several approximations. In addition, this experimental procedure is time-consuming and expensive, but until recently it was widely accepted as the most accurate means of determining interaction impedance. The advent of an accurate three-dimensional helical circuit model (ref. 2) made it possible for Lewis researchers to fully investigate standard approximations made in deriving the relationship between measured perturbation data and interaction impedance. The most prominent approximations made in the analysis were addressed and fully investigated for their accuracy by using the three-dimensional electromagnetic simulation code MAFIA (Solution of Maxwell's Equations by the Finite Integration Algorithm) (refs. 3 and 4). We found that several approximations introduced significant error (ref. 5).

Kory, Carol L.↗

NASA NTRS2019

Deriving High-Resolution Reservoir Bathymetry from ICESat-2 Prototype Photon-Counting Lidar and Landsat Imagery

Knowledge of reservoir bathymetry is essential for many studies on terrestrial hydrological and biogeochemical processes. However, there are currently no cost-effective approaches to derive reservoir bathymetry at the global scale. This study explores the potential of generating high-resolution global bathymetry using elevation data collected by the 532-nm Advanced Topographic Laser Altimeter System (ATLAS) onboard the Ice, Cloud, and Land Elevation Satellite (ICESat-2). The novel algorithm was developed and tested using the ICESat-2 airborne prototype, the Multiple Altimeter Beam Experimental Lidar (MABEL), with Landsat-based water classifications (from 1982 to 2017). MABEL photon elevations were paired with Landsat water occurrence percentiles to establish the elevation-area (E-A) relationship, which in turn was applied to the percentile image to obtain partial bathymetry over the historic dynamic range of reservoir area. The bathymetry for the central area was projected to achieve the full bathymetry. The bathymetry image was then embedded onto the digital elevation model (DEM). Results were validated over Lake Mead against survey data. Results over four transects show coefficient of determination (R²) values from 0.82 to 0.99 and root-mean-square error (RMSE) values from 1.18 to 2.36 m. In addition, the E-A and elevation-storage (E-S) curves have RMSEs of 1.56 m and 0.08 km³, respectively. Over the entire dynamic reservoir area, the derived bathymetry agrees very well with independent survey data, except for within the highest and lowest percentile bands. With abundant overpassing tracks and high spatial resolution, the newly launched ICESat-2 should enable the derivation of bathymetry over an unprecedented number of reservoirs.

Yao Li↗

DOE OSTI2026

qSIEVE: Efficient qLDPC Memory via Systolic Movement in Atom Arrays

As quantum machines have scaled up in their number of qubits, significant research has turned towards increasing their fidelity with quantum error correction codes. Although promising results have been shown with the surface code, which only requires near-neighbor connections between qubits, the high qubit overhead of such local codes promises to be problematic. Consequently, recent work has explored non-local quantum LDPC (qLDPC) codes, which have good asymptotic encoding rates. Despite theoretical progress, hardware implementations of these codes have been a longstanding challenge. At the experimental level, demonstrations of movement based communication on atom arrays suggest this is a powerful new primitive to achieve non-local connectivity. Leveraging this, we present a protocol for implementing non-local qLDPC codes in hardware. Our protocol, qSIEVE, is a co-design of such codes with movement in atom arrays. qSIEVE defines a restricted family of qLDPC codes that can be implemented efficiently with systolic movement. We then quantify the utility of qSIEVE in the context of a complete fault tolerant architecture. We compare the cost of implementing benchmark programs in a standard, surface code only architecture and a mixed architecture where data is stored in qLDPC memory with qSIEVE and loaded to surface codes for computation.

Quantum error correction↗

DOE OSTI2021

Empirical validation and comparison of methodologies to simulate micro and macro-encapsulated PCMs in the building envelope

Thermal Energy Storage (TES) has the potential to shift peak electricity demand. Passive TES is usually implemented in building envelope as micro and macro encapsulated phase change materials (PCM) to shift electric energy demand and therefore requires careful heat transfer analysis. Whole building energy modelling with simplified heat transfer analysis has become extremely important for designers, architects, engineers, and researchers to predict energy performance of buildings. It is important to validate PCM modelling algorithms used in building energy programs to quantify their error and prove their capacity to model different PCM encapsulation types. This study uses data from a microencapsulated PCM and two macroencapsulated PCMs (Bio based PCM and hydrate salts) tested in full-scale using the Advanced Multiscale Building Energy Research (AMBER) Lab located at the Colorado School of Mines and is used to validate a numerical algorithm written in MATLAB language. To approximate the heat transfer through a wall assembly with macroencapsulated PCM pouches, several modelling techniques that can reduce 3D heat transfer characteristics to 1D are explored in this research. A parallel path heat transfer modelling approach is found to give the closest agreement with the experimental data for the pouched PCMs in building envelope applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Two-dimensional retrieval methods for ultrafast imaging of molecular structure using laser-induced electron diffraction

Molecular structural retrieval based on electron diffraction has been proposed to determine the atomic positions of molecules with sub-angstrom spatial and femtosecond temporal resolutions. Given its success on small molecular systems, in this work, we point out that the accuracy of structure retrieval is constrained by the availability of a wide range of experimental data in the momentum space in all molecular systems. To mitigate the limitations, for laser-induced electron diffraction, here we retrieve molecular structures using two-dimensional (energy and angle) electron momentum spectra in the laboratory frame for a number of small molecular systems, which have previously been studied with 1D methods. Compared to the conventional single-energy or single-angle analysis, our 2D methods effectively expand the momentum range of the measured data. Besides utilization of the 2D data, two complementary methods are developed for consistency check on the retrieved results. Further, the 2D nature of our methods also offers a way of estimating the error from retrieval, which has never been explored before. Comparing with results from prior experiments, our findings show evidence that our 2D methods outperform the conventional 1D methods. Paving the way to the retrieval of large molecular systems, in which their tunneling ionization rates are challenging to obtain, we estimate the error of using the isotropic model in place of including the orientation-dependent ionization rate.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

Sempervirens: A Fast Reconstruction Algorithm for Noisy and Incomplete Binary Matrix Representations of Trees

Applications such as reconstructing cell lineage trees (represented as phylogenetic trees) from single-cell sequencing data require reconstructing a {0,1}-matrix that has many errors and missing entries. We introduce Sempervirens, a very fast matrix reconstruction algorithm for noisy and incomplete matrix representations of phylogenetic trees. Sempervirens uses an iterative maximum-likelihood approach to determine the topology tree represented by the corrupted data. We show that Sempervirens is at least three orders of magnitude faster than other methods on thousand by thousand matrices, with the speed gap widening with larger matrices. We also show that Sempervirens matches state-of-the-art methods in reconstruction accuracy. The speed of Sempervirens enables it to be tractably applied to reconstructing much larger matrices than those that other methods can reconstruct. In addition to experimental results, we justify the algorithm with a mathematical treatment of its subprocedures.

algorithms↗

NASA NTRS2001

Langmuir Probe and Mass Spectroscopic Measurements in Inductively Coupled CF4 Plasmas

Abstract Electron and ion energy distribution functions and other plasma parameters such as plasma potential (V(sub p)) , electron temperature (T(sub e)), and electron and ion number densities (n (sub e) and n(sub i)) in low pressure CF4 plasmas have been measured. The experiments were conducted in a GEC cell using an inductively coupled plasma (ICP) device powered by a 13.56 MHz radio-frequency (rf) power source. The measurements were made at 300 W of input rf power at 10, 30 and 50 mTorr gas pressures. Langmuir probe measurements suggest that n(sub e), n(sub i) and V(sub p) remain constant over 60% of the central electrode area, beyond which they decrease. Within the limits of experimental error (+/- 0.25 eV), T(sub e) remains nearly constant over the electrode area. T(sub e) and V(sub p) increase with a decrease in pressure. n(sub e) and n(sub i) are not affected as significantly as T(sub e) or V(sub p) by variation in the gas pressure. The electron energy distribution function (EEDF) measurements indicate a highly non-Maxwellian plasma. CF3+ is the most dominant ion product of the plasma, followed by CF2+ and CF+. The concentrations of CF2+ and CF+ are much larger than that is possible from direct electron impact ionization of the parent gas. The cross-section data suggest that the direct electron impact ionization of fragment neutrals and negative ion production by electron attachment may be responsible for increase of the minor ions.

Rao, M. V. V. S.↗

NASA NTRS2003

Measurement of Low Amounts of Precipitable Water Vapor Using Ground-Based Millimeterwave Radiometry

Extremely dry conditions characterized by amounts of precipitable water vapor (PWV) as as 1-2 mm commonly occur in high-latitude regions during the winter months. While such atmospheres carry only a few percent of the latent heat energy compared to tropical atmospheres, the effects of low vapor amounts on the polar radiation budget - both directly through modulation of longwave radiation and indirectly through the formation of clouds - are considerable. Accurate measurements of precipitable water vapor (PWV) during such dry conditions are needed to improve polar radiation models for use in understanding and predicting change in the climatically sensitive polar regions. To this end, the strong water vapor absorption at 183.310 GHz provides a unique means of measuring low amounts of PWV. Weighting function analysis, forward model calculations based upon a 7-year radiosonde dataset, and retrieval simulations consistently predict that radiometric measurements made using several millimeter-wavelength (MMW) channels near the 183 GHz line, together with established microwave (MW) measurements at the 22.235 GHz water vapor line and -3 1 GHz atmospheric absorption window can be used to determine within 5% uncertainty the full range of PWV expected in the Arctic. This unique collective capability stands in spite of accuracy limitations stemming from uncertainties due to the sensitivity of the vertical distribution of temperature and water vapor at MMW channels. In this study the potential of MMW radiometry using the 183 GHz line for measuring low amounts of PWV is demonstrated both theoretically and experimentally. The study uses data obtained during March 1999 as part of an experiment conducted at the Department of Energy s Cloud and Radiation Testbed (CART) near Barrow, Alaska. Several radiometers from both NOAA and NASA were deployed during the experiment to provide the first combined MMW and MW ground-based data set during dry arctic conditions. Single-channel retrievals of PWV were performed using the MW and MMW data. Discrepancies in the retrieved values were found to be consistent with differences observed between measured brightness temperatures (TBs) and forward-modeled TBs based on concurrent radiosonde profiles. These discrepancies are greater than can be explained by measurement error alone and are attributed to absorption model uncertainty. We discuss here the measurements, retrieval technique, and line model discrepancies along with difficulties and potential of MMW/MW PWV measurement.

Racette, Paul E.↗

NASA NTRSDate not supplied

Rapid Aero Modeling for Urban Air Mobility Aircraft in Wind-Tunnel Tests

Rapid Aero Modeling (RAM) applied to wind tunnel testing, RAM-T, is an approach to efficiently and automatically obtain aerodynamic models during testing. The approach saves time and resources by responding to the demand for experimental efficiency and model fidelity. Motivation for this demand is more acute when investigating a class of vehicles categorized as Urban Air Mobility (UAM) aircraft where many features from both aircraft and rotorcraft are present. RAM-T provides a feedback loop around the test facility to guide the test toward high-fidelity, statistically rigorous aircraft models. The general RAM approach is applicable to computational or physical experiments. It combines concepts from design of experiment theory and aircraft system identification theory that allow the user the freedom to choose, in advance of the test, a specific level of fidelity in terms of prediction error. RAM only collects data required to meet the user-specified fidelity and fidelity is only limited by the facility and test article capabilities. This paper presents results from tests conducted for development of an automated RAM-T technology. The results highlight some of the unique features of RAM applied to eVTOL configurations.

Aerodynamics↗

NASA NTRS1999

Composite Fuselage Technology

Work was conducted over a ten-year period to address the central issue of damage in primary load-bearing aircraft composite structure, specifically fuselage structure. This included the three facets of damage resistance, damage tolerance, and damage arrest. Experimental, analytical, and numerical work was conducted in order to identify and better understand the mechanisms that control the structural behavior of fuselage structures in their response to the three aspects of damage. Furthermore, work was done to develop straightforward design methodologies that can be employed by structural designers in preliminary design stages to make intelligent choices concerning the material, layup, and structural configurations so that a more efficient structure with structural integrity can be designed and built. Considerable progress was made towards achieving these goals via this work. In regard to damage tolerance considerations, the following were identified as important effects: composite layup and associated orthotropy/structural anisotropy, specifics of initial local damage mechanisms, role of longitudinal versus hoop stress, and large deformation and associated geometric nonlinearity. Means were established to account for effects of radius and for the nonlinear response. In particular, nondimensional parameters were identified to characterize the importance of nonlinearity in the response of pressurized cylinders. This led to the establishment of a iso-nonlinear-error plot for reference in structural design. Finally, in the case of damage tolerance, the general approach of the original methodology to predict the failure pressure involving extending basic plate failure data by accounting for the local stress intensification was accomplished for the general case by accounting for the mechanisms noted by utilizing the capability of the STAGS finite element code and numerically calculating the local stress intensification for the particular configuration to be considered. For the issue of damage arrest, placement of and configuration of stiffeners (including stiffener curvature), and magnitude and orientation of principal strains due to local bending were found to be key considerations. Means were established to account for stiffener effectiveness quantitatively based on radius, slit size, stiffener curvature' and relative bending stifffiesses involved. Geometric nonlinearity was also found to play an - 24 - important role here. Furthermore, it was determined that damage propagation is controlled by different mechanisms (hoop stress versus flapping stress and the associated factors involved in each) depending upon the direction of damage propagation. This latter item results in an inability to scale these phenomena in one test due to the different factors involved. Finally, the importance of shell curvature and associated instability in response to transverse loading including impact were found to be important considerations in damage resistance. A technique, involving asymmetric meshing of a finite element mesh, was developed to predict this behavior and showed excellent correlation with experimental results. Further details of these ten years of work are presented herein with references made to the fourteen documents produced during this work where full details can be found. Implications of this work are discussed and recommendations made. Although it is clear that there is more work to be done to fully understand composite fuselage technology and specifically the overall issue of damage in primary load-bearing composite structures, important understanding and capability has been extended via this work.

Lagace, Paul A.↗

DOE OSTI2023

Deep neural network uncertainty quantification for LArTPC reconstruction

We evaluate uncertainty quantification (UQ) methods for deep learning applied to liquid argon time projection chamber (LArTPC) physics analysis tasks. As deep learning applications enter widespread usage among physics data analysis, neural networks with reliable estimates of prediction uncertainty and robust performance against overconfidence and out-of-distribution (OOD) samples are critical for their full deployment in analyzing experimental data. While numerous UQ methods have been tested on simple datasets, performance evaluations for more complex tasks and datasets are scarce. Here we assess the application of selected deep learning UQ methods on the task of particle classification using the PiLArNet monte carlo 3D LArTPC point cloud dataset. We observe that UQ methods not only allow for better rejection of prediction mistakes and OOD detection, but also generally achieve higher overall accuracy across different task settings. We assess the precision of uncertainty quantification using different evaluation metrics, such as distributional separation of prediction entropy across correctly and incorrectly identified samples, receiver operating characteristic curves (ROCs), and expected calibration error from observed empirical accuracy. We conclude that ensembling methods can obtain well calibrated classification probabilities and generally perform better than other existing methods in deep learning UQ literature.

47 OTHER INSTRUMENTATION↗

NASA NTRS1985

A Kalman filter for a two-dimensional shallow-water model

A two-dimensional Kalman filter is described for data assimilation for making weather forecasts. The filter is regarded as superior to the optimal interpolation method because the filter determines the forecast error covariance matrix exactly instead of using an approximation. A generalized time step is defined which includes expressions for one time step of the forecast model, the error covariance matrix, the gain matrix, and the evolution of the covariance matrix. Subsequent time steps are achieved by quantifying the forecast variables or employing a linear extrapolation from a current variable set, assuming the forecast dynamics are linear. Calculations for the evolution of the error covariance matrix are banded, i.e., are performed only with the elements significantly different from zero. Experimental results are provided from an application of the filter to a shallow-water simulation covering a 6000 x 6000 km grid.

Parrish, D. F.↗

DOE OSTI2021

Artificial Intelligence for Autonomous Molecular Design: A Perspective

Domain-aware artificial intelligence has been increasingly adopted in recent years to expedite molecular design in various applications, including drug design and discovery. Recent advances in areas such as physics-informed machine learning and reasoning, software engineering, high-end hardware development, and computing infrastructures are providing opportunities to build scalable and explainable AI molecular discovery systems. This could improve a design hypothesis through feedback analysis, data integration that can provide a basis for the introduction of end-to-end automation for compound discovery and optimization, and enable more intelligent searches of chemical space. Several state-of-the-art ML architectures are predominantly and independently used for predicting the properties of small molecules, their high throughput synthesis, and screening, iteratively identifying and optimizing lead therapeutic candidates. However, such deep learning and ML approaches also raise considerable conceptual, technical, scalability, and end-to-end error quantification challenges, as well as skepticism about the current AI hype to build automated tools. To this end, synergistically and intelligently using these individual components along with robust quantum physics-based molecular representation and data generation tools in a closed-loop holds enormous promise for accelerated therapeutic design to critically analyze the opportunities and challenges for their more widespread application. This article aims to identify the most recent technology and breakthrough achieved by each of the components and discusses how such autonomous AI and ML workflows can be integrated to radically accelerate the protein target or disease model-based probe design that can be iteratively validated experimentally. Taken together, this could significantly reduce the timeline for end-to-end therapeutic discovery and optimization upon the arrival of any novel zoonotic transmission event. Our article serves as a guide for medicinal, computational chemistry and biology, analytical chemistry, and the ML community to practice autonomous molecular design in precision medicine and drug discovery.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1984

Satellite and correlative measurements of stratospheric ozone - Comparison of measurements made by SAGE, ECC balloons, chemiluminescent, and optical rocketsondes

The validity of ozone-profile data from the satellite sensor SAGE was tested in a series of correlative experiments conducted at five fixed sites between 6 deg S and 65 deg N during 1979-1980. The intercomparisons included data taken with electrochemical ozone (ECC) balloonsondes and chemiluminescent and optical rocketsondes. The average mean difference for 17 separate comparisons between the SAGE and ECC balloonsonde observations over the altitudes 18-28 km was 9.3 percent with a standard deviation of 2.8 percent. Excluding comparisons separated by greater than 500 km reduces the average mean difference to 8.9 percent and the standard deviation to 2.1 percent. The average mean difference between SAGE and three optical rocketsonde observations over the altitudes 25-50 km was 11 percent, and between SAGE and two chemiluminescent rocketsondes over the altitudes 20-60 km it was 13.5 percent. Considering the differences in vertical resolution, experimental errors, and ozone time and space gradients, the agreement between SAGE-derived ozone profiles and these correlative measurements is considered very good. In addition, isopleths of ozone mixing ratio versus latitude and altitude are in good agreement with previously published results.

Mccormick, M. P.↗

DOE OSTI2020

Predicting Excitation Energies of Twisted Intramolecular Charge-Transfer States with the Time-Dependent Density Functional Theory: Comparison with Experimental Measurements in the Gas Phase and Solvents Ranging from Hexanes to Acetonitrile

Electronically excited states characterized by intramolecular charge transfer play an essential role in many biological processes and optical devices. The ability to make quantitative ab initio predictions of the relative energetics involved is a challenging yet desirable goal, especially for large molecules in solution. In this work, we present a data set of 61 experimental measurements of absorption and emission processes, both in the gas phase and in solvents representing a broad range of polarities, which involve intramolecular charge transfer mediated by a nonzero, "twisted" dihedral angle between one or more donor and acceptor subunits. Among a variety of density functionals investigated within the framework of linear-response theory, the "optimally tuned" LRC-ωPBE functional, which utilizes a system-specific yet nonempirical procedure to specify the range-separation parameter, emerges as the preferred choice. For the entire set of excitation energies, involving changes in dipole moment ranging from 4 to >20 Debye, the mean signed and absolute errors are 0.02 and 0.18 eV, respectively (compared, e.g., to -0.30 and 0.30 for PBE0, 0.44 and 0.47 for LRC-ωPBEh, 0.83 and 0.83 for ωB97X-V). We analyze the performance of polarizable continuum solvation models available in Q-Chem that partition the solvent response into fast and slow time scales, and clear trends emerge when measurements corresponding to the four small 4-(dimethylamino)benzonitrile (DMABN)-like molecules and a charged species are excluded. We make the case that the large errors found only for small molecules in the gas phase and weak solvents cannot be expected to improve via the optimal tuning procedure, which enforces a condition that is exact only in the well-separated donor-acceptor limit, and present empirical evidence implicating the outsized importance for small donor-acceptor systems of relaxation effects that cannot be accounted for by the linear-response time-dependent density functional theory within the adiabatic approximation. Finally, we demonstrate the utility of the optimally tuned density functional approach by targeting the charge-transfer states of a large biomimetic model system for light-harvesting structures in Photosystem II.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1973

Effect of blockage ratio on drag and pressure distributions for bodies of revolution at transonic speeds

Experimental data were obtained in two wind tunnels for 13 models over a Mach number range from 0.70 to 1.02. Effects of increasing test-section blockage ratio in the transonic region near a Mach number of 1.0 included change in the shape of the drag curves, premature drag creep, delayed drag divergence, and a positive increment of pressures on the model afterbodies. Effects of wall interference were apparent in the data even for a change in blockage ratio from a very low 0.000343 to an even lower 0.000170. Therefore, models having values of blockage ratio of 0.0003 - an order of magnitude below the previously considered safe value of 0.0050 - had significant errors in the drag-coefficient values obtained at speeds near a Mach number of 1.0. Furthermore, the flow relief afforded by slots or perforations in test-section walls - designed according to previously accepted criteria for interference-free subsonic flow - does not appear to be sufficient to avoid significant interference of the walls with the model flow field for Mach numbers very close to 1.0.

Couch, L. M.↗