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At least 1,135 records · Page 63

Assessment of Radiative Heating Uncertainty for Hyperbolic Earth Entry

This paper investigates the shock-layer radiative heating uncertainty for hyperbolic Earth entry, with the main focus being a Mars return. In Part I of this work, a baseline simulation approach involving the LAURA Navier-Stokes code with coupled ablation and radiation is presented, with the HARA radiation code being used for the radiation predictions. Flight cases representative of peak-heating Mars or asteroid return are de ned and the strong influence of coupled ablation and radiation on their aerothermodynamic environments are shown. Structural uncertainties inherent in the baseline simulations are identified, with turbulence modeling, precursor absorption, grid convergence, and radiation transport uncertainties combining for a +34% and ..24% structural uncertainty on the radiative heating. A parametric uncertainty analysis, which assumes interval uncertainties, is presented. This analysis accounts for uncertainties in the radiation models as well as heat of formation uncertainties in the flow field model. Discussions and references are provided to support the uncertainty range chosen for each parameter. A parametric uncertainty of +47.3% and -28.3% is computed for the stagnation-point radiative heating for the 15 km/s Mars-return case. A breakdown of the largest individual uncertainty contributors is presented, which includes C3 Swings cross-section, photoionization edge shift, and Opacity Project atomic lines. Combining the structural and parametric uncertainty components results in a total uncertainty of +81.3% and ..52.3% for the Mars-return case. In Part II, the computational technique and uncertainty analysis presented in Part I are applied to 1960s era shock-tube and constricted-arc experimental cases. It is shown that experiments contain shock layer temperatures and radiative ux values relevant to the Mars-return cases of present interest. Comparisons between the predictions and measurements, accounting for the uncertainty in both, are made for a range of experiments. A measure of comparison quality is de ned, which consists of the percent overlap of the predicted uncertainty bar with the corresponding measurement uncertainty bar. For nearly all cases, this percent overlap is greater than zero, and for most of the higher temperature cases (T >13,000 K) it is greater than 50%. These favorable comparisons provide evidence that the baseline computational technique and uncertainty analysis presented in Part I are adequate for Mars-return simulations. In Part III, the computational technique and uncertainty analysis presented in Part I are applied to EAST shock-tube cases. These experimental cases contain wavelength dependent intensity measurements in a wavelength range that covers 60% of the radiative intensity for the 11 km/s, 5 m radius flight case studied in Part I. Comparisons between the predictions and EAST measurements are made for a range of experiments. The uncertainty analysis presented in Part I is applied to each prediction, and comparisons are made using the metrics defined in Part II. The agreement between predictions and measurements is excellent for velocities greater than 10.5 km/s. Both the wavelength dependent and wavelength integrated intensities agree within 30% for nearly all cases considered. This agreement provides confidence in the computational technique and uncertainty analysis presented in Part I, and provides further evidence that this approach is adequate for Mars-return simulations. Part IV of this paper reviews existing experimental data that include the influence of massive ablation on radiative heating. It is concluded that this existing data is not sufficient for the present uncertainty analysis. Experiments to capture the influence of massive ablation on radiation are suggested as future work, along with further studies of the radiative precursor and improvements in the radiation properties of ablation products.

Johnston, Christopher O.↗

Computational study of the aerodynamics and control by blowing of asymmetric vortical flows over delta wings

The complicated flowfield around a rounded leading-edge delta wing was calculated at angles of attack and yaw with and without tangential leading-edge blowing, using thin-layer Navier-Stokes equations. The effectiveness of blowing for providing roll control at high angle of attack was illustrated, and the saturation effect of increased blowing was captured well. The effect of sideslip was shown to be analogous to asymmetric blowing.

Craig, Ken↗

Edge ICRF simulations in 3D geometry: From MHD equilibrium to coupling determination

We present in this work a consistent numerical scheme that allows the computation of 3D magnetic fields a nd 3D density profiles and their usage in ion cyclotron range of frequencies (ICRF) coupling simulations. We first utilize the PARVMEC code to compute the 3D free-boundary plasma equilibrium in the ideal magnetohydrodynamic (MHD) approximation. Since the PARVMEC solution is only defined within the last closed flux surface (LCFS), the magnetic field domain is extended to the scrape-off layer (SOL) via the BMW code, which computes a divergence-free magnetic field solution arising from the external conductors’ vacuum field a nd t he PARVMEC flux surface currents. This magnetic reconstruction is then used in the EMC3-EIRENE transport code in order to compute 3D density profiles. In the last step, the RAPLICASOL code is utilized to compute the ICRF antenna S-matrices resulting from the 3D density profiles. We exemplify this scheme for the ASDEX Upgrade tokamak. A new implementation of a curved model for the ASDEX Upgrade ICRF 2-strap antenna in RAPLICASOL allows simulations in realistic geometry, without any coordinate transformations.

Lopez, Graham↗

GTD analysis of airborne antennas radiating in the presence of lossy dielectric layers

The patterns of monopole or aperture antennas mounted on a perfectly conducting convex surface radiating in the presence of a dielectric or metal plate are computed. The geometrical theory of diffraction is used to analyze the radiating system and extended here to include diffraction by flat dielectric slabs. Modified edge diffraction coefficients valid for wedges whose walls are lossy or lossless thin dielectric or perfectly conducting plates are developed. The width of the dielectric plates cannot exceed a quarter of a wavelength in free space, and the interior angle of the wedge is assumed to be close to 0 deg or 180 deg. Systematic methods for computing the individual components of the total high frequency field are discussed. The accuracy of the solutions is demonstrated by comparisons with measured results, where a 2 lambda by 4 lambda prolate spheroid is used as the convex surface. A jump or kink appears in the calculated pattern when higher order terms that are important are not included in the final solution. The most immediate application of the results presented here is in the modelling of structures such as aircraft which are composed of nonmetallic parts that play a significant role in the pattern.

Rojas-Teran, R. G.↗

Computer program for definition of transonic axial-flow compressor blade rows

A method is presented for designing axial-flow compressor blading from blade elements defined on cones which pass through the blade-edge streamline locations. Each blade-element centerline is composed of two segments which are tangent to each other. The centerline and surfaces of each segment have constant change of angle with path distance. The stacking line for the blade elements can be leaned in both the axial and tangential directions. The output of the computer program gives coordinates for fabrication and properties for aeroelastic analysis for planar blade sections. These coordinates and properties are obtained by interpolation across conical blade elements. The program is structured to be coupled with an aerodynamic design program.

Crouse, J. E.↗

Navier-Stokes computations for exotic airfoils

An efficient hyperbolic grid generator with improvements for handling sharp corners and concave surfaces is combined with an efficient and accurate Navier-Stokes flow solver. This combination is applied to some rather complex two-dimensional airfoil configurations. Steady separated flow about an iced leading edge of an airfoil is presented. Unsteady viscous separated flows past an airfoil at two angles of attack with a spoiler deployed at 60 degrees are presented and compared with experiment. The spoiler computations are performed with two different topological maps of the physical domain to the computational domain. Innovative graphical techniques for both the static and unsteady display of the flow fields are presented and discussed.

Barth, T. J.↗

Unsteady Navier-Stokes computations past oscillating delta wing at high incidence

The unsteady, thin-layer, compressible Navier-Stokes equations, written in the moving frame of reference for the flow relative motion, is solved for the steady and unsteady supersonic flow around a round-edged delta wing. For supersonic flow, local conical flow solution has been obtained from the three-dimensional equations. Pseudotime stepping is used for the steady flow, while time-accurate stepping is used for the unsteady flow. The computational scheme is an implicit approximately-factored finite volume scheme which uses explicit and implicit dissipation terms. The scheme is verified for the steady flow solution. The scheme is then applied to a delta wing undergoing rolling oscillation at a reduced frequency of 1.137 with 15- deg maximum amplitude about a mean angle of attack of 10 deg for a Mach number of 2 and a Reynolds number of 500,000.

Kandil, Osama A.↗

Organo‐Functionalized Lacunary Double Cubane‐Type Oxometallates: Synthesis, Structure, and Properties of [(M II Cl) 2 (V IV O) 2 {((HOCH 2 CH 2 )(H)N(CH 2 CH 2 O))(HN(CH 2 CH 2 O) 2 )} 2 ] (M=Co, Zn)

Abstract Organofunctionalized tetranuclear clusters [(M II Cl) 2 (V IV O) 2 {((HOCH 2 CH 2 )(H)N(CH 2 CH 2 O))(HN(CH 2 CH 2 O) 2 )} 2 ] (1, M=Co,2: M=Zn) containing an unprecedented oxometallacyclic {M 2 V 2 Cl 2 N 4 O 8 } (M=Co, Zn) framework have been prepared by solvothermal reactions. The new oxo‐alkoxide compounds were fully characterized by spectroscopic methods, magnetic susceptibility measurement, DFT and ab initio computational methods, and complete single‐crystal X‐ray diffraction structure analysis. The isostructural clusters are formed of edge‐sharing octahedral {VO 5 N} and trigonal bipyramidal {MO 3 NCl} units. Diethanolamine ligates the bimetallic lacunary double cubane core of1and2in an unusual two‐mode fashion, unobserved previously. In the crystalline state, the clusters of1and2are joined by hydrogen bonds to form a three‐dimensional network structure. Magnetic susceptibility data indicate weakly antiferromagnetic interactions between the vanadium centers [J iso (V IV −V IV )=−5.4(1); −3.9(2) cm −1 ], and inequivalent antiferromagnetic interactions between the cobalt and vanadium centers [J iso (V IV −Co II )=−12.6 and −7.5 cm −1 ] contained in1.

Chemistry↗

Fast and Accurate Predictions of Total Energy for Solid Solution Alloys with Graph Convolutional Neural Networks

We use graph convolutional neural networks (GCNNs) to produce fast and accurate predictions of the total energy of solid solution binary alloys. GCNNs allow us to abstract the lattice structure of a solid material as a graph, whereby atoms are modeled as nodes and metallic bonds as edges. This representation naturally incorporates information about the structure of the material, thereby eliminating the need for computationally expensive data pre-processing which would be required with standard neural network (NN) approaches. We train GCNNs on ab-initio density functional theory (DFT) for copper-gold (CuAu) and iron-platinum (FePt) data that has been generated by running the LSMS-3 code, which implements a locally self-consistent multiple scattering method, on OLCF supercomputers Titan and Summit. GCNN outperforms the ab-initio DFT simulation by orders of magnitude in terms of computational time to produce the estimate of the total energy for a given atomic configuration of the lattice structure. We compare the predictive performance of GCNN models against a standard NN such as dense feedforward multi-layer perceptron (MLP) by using the root-mean-squared errors to quantify the predictive quality of the deep learning (DL) models. We find that the attainable accuracy of GCNNs is at least an order of magnitude better than that of the MLP.

Lupo Pasini, Massimiliano↗

AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2

Direct-acting antivirals for the treatment of the COVID-19 pandemic caused by the SARS-CoV-2 virus are needed to complement vaccination efforts. Given the ongoing emergence of new variants, automated experimentation, and active learning based fast workflows for antiviral lead discovery remain critical to our ability to address the pandemic’s evolution in a timely manner. While several such pipelines have been introduced to discover candidates with noncovalent interactions with the main protease (M pro ), here we developed a closed-loop artificial intelligence pipeline to design electrophilic warhead-based covalent candidates. Here, this work introduces a deep learning-assisted automated computational workflow to introduce linkers and an electrophilic “warhead” to design covalent candidates and incorporates cutting-edge experimental techniques for validation. Using this process, promising candidates in the library were screened, and several potential hits were identified and tested experimentally using native mass spectrometry and fluorescence resonance energy transfer (FRET)-based screening assays. We identified four chloroacetamide-based covalent inhibitors of M pro with micromolar affinities (K I of 5.27 μM) using our pipeline. Experimentally resolved binding modes for each compound were determined using room-temperature X-ray crystallography, which is consistent with the predicted poses. The induced conformational changes based on molecular dynamics simulations further suggest that the dynamics may be an important factor to further improve selectivity, thereby effectively lowering KI and reducing toxicity. These results demonstrate the utility of our modular and data-driven approach for potent and selective covalent inhibitor discovery and provide a platform to apply it to other emerging targets.

60 APPLIED LIFE SCIENCES↗

Experimental studies of plasma-antenna coupling with the JET Alfvén Eigenmode Active Diagnostic

Here, this paper presents a dedicated study of plasma-antenna (PA) coupling with the Alfvén Eigenmode Active Diagnostic (AEAD) in JET. Stable AEs and their resonant frequencies f, damping rates γ < 0, and toroidal mode numbers n are measured for various PA separations and limiter versus X-point magnetic configurations. Two stable AEs are observed to be resonantly excited at distinct low and high frequencies in limiter plasmas. The values of f and n do not vary with PA separation. However, |γ| increases with PA separation for the low-f, but not high-f, mode, yet this may be due to slightly different edge conditions. The high-f AE is detected throughout the transition from limiter to X-point configuration, though its damping rate increases; the low-f mode, on the other hand, becomes unidentifiable. The linear, resistive MHD code CASTOR is used to simulate the frequency scan of an AEAD-like external antenna. For the limiter pulses, the high-f mode is determined to be an n = 0 GAE, while the low-f mode is likely an n = 2 TAE. During the transition from limiter to X-point configuration, CASTOR indicates that n = 1 and 2 EAEs are excited in the edge gap. These results extend previous experimental studies in JET and Alcator C-Mod; validate the computational work performed by Dvornova et al; and provide guidance for the optimization of PA coupling in upcoming JET energetic particle experiments, for which the AEAD will aim to identify the contribution of alpha particles to AE drive during the DT campaign.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

2025 Atmospheric Radiation Measurement (ARM) Annual Report

ARM is a multi-laboratory, U.S. Department of Energy (DOE) Office of Science user facility and a key contributor to atmospheric research efforts. For more than 30 years, ARM has supported the DOE and Office of Science missions by providing atmospheric observations to enable scientific discovery, transform our understanding of the atmosphere, and evaluate and improve the accuracy of atmospheric models. ARM’s cutting-edge capabilities for scientists include continuously operating ground-based observatories, aerial observation platforms, and high performance computing.

54 ENVIRONMENTAL SCIENCES↗

Experimental studies of plasma-antenna coupling with the JET Alfven Eigenmode Active Diagnostic

This paper presents a dedicated study of plasma-antenna (PA) coupling with the Alfven Eigenmode Active Diagnostic (AEAD) in JET. Stable AEs and their resonant frequencies f, damping rates gamma < 0, and toroidal mode numbers n are measured for various PA separations and limiter versus X-point magnetic configurations. Two stable AEs are observed to be resonantly excited at distinct low and high frequencies in limiter plasmas. The values of f and n do not vary with PA separation. However, |gamma| increases with PA separation for the low-f, but not high-f, mode, yet this may be due to slightly different edge conditions. The high-f AE is detected throughout the transition from limiter to X-point configuration, though its damping rate increases; the low-f mode, on the other hand, becomes unidentifiable. The linear resistive MHD code CASTOR is used to simulate the frequency scan of an AEAD-like external antenna. For the limiter pulses, the high-f mode is determined to be an n = 0 GAE, while the low-f mode is likely an n = 2 TAE. During the transition from limiter to X-point configuration, CASTOR indicates that n = 1 and 2 EAEs are excited in the edge gap. These results extend previous experimental studies in JET and Alcator C-Mod; validate the computational work performed by Dvornova et al 2020 Phys. Plasmas 27 012507; and provide guidance for the optimization of PA coupling in upcoming JET energetic particle experiments, for which the AEAD will aim to identify the contribution of alpha particles to AE drive during the DT campaign.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Input description for Jameson's three-dimensional transonic airfoil analysis program

The input parameters are presented for a computer program which performs calculations for inviscid isentropic transonic flow over three dimensional airfoils with straight leading edges. The free stream Mach number is restricted only by the isentropic assumption. Weak shock waves are automatically located where they occur in the flow. The finite difference form of the full equation for the velocity potential is solved by the method of relaxation, after the flow exterior to the airfoil is mapped to the upper half plane.

Newman, P. A.↗

Northrop F-5A aircraft transonic buffet pressure data acquisition and response analysis

Flight tests were performed on an extensively instrumented F-5A aircraft to investigate the dynamic buffet pressure distribution on the wing surfaces and the responses during a series of transonic maneuvers called the windup turns. The maneuvers were performed at three Mach number-altitude combinations with a constant q of approximately 14,360 N/sq m (300 psf). The fluctuating buffet pressure data at 24 stations on the right wing of the F-5A were acquired by miniaturized semiconductor type pressure transducers mounted on the wing. A new transducer mounting and wiring technique was applied where the interference with the natural flow condition was minimized. The data acquired in this manner were found adequate to trace the shock origin, the movement of the shock front and the development of the separated flow (shock-induced or leading-edge induced) on the wing surface. An analytical procedure, called a 'segmentwise stationary procedure', was introduced to compute the aircraft response spectra based on the measured buffet pressures. The analytical response data computed in this manner are correlated with the test response data obtained in the same flights.

Hwang, C.↗

A critical evaluation of the predictions of the NASA-Lockheed multielement airfoil computer program

Theoretical predictions of several versions of the multielement airfoil computer program are evaluated. The computed results are compared with experimental high lift data of general aviation airfoils with a single trailing edge flap, and of airfoils with a leading edge flap and double slotted trailing edge flaps. Theoretical and experimental data include lift, pitching moment, profile drag and surface pressure distributions, boundary layer integral parameters, skin friction coefficients, and velocity profiles.

Brune, G. W.↗

Nonlinear, three-dimensional finite-element analysis of air-cooled gas turbine blades

Cyclic stress-strain states in cooled turbine blades were calculated for a simulated mission of an advanced-technology commercial aircraft engine. The MARC, nonlinear, finite-element computer program was used for the analysis of impingement-cooled airfoils, with and without leading-edge film cooling. Creep was the predominant damage mode (ignoring hot corrosion), particularly artund film-cooling holes. Radially angled holes exhibited less creep than holes with axes normal to the surface. Beam-theory analyses of all-impingement-cooled airfoils gave fair agreement with MARC results for initial creep.

Kaufman, A.↗

Transonic swept wings studied by the lifting-line theory

Transonic swept wings are analyzed as a lifting-line problem under a small-disturbance approximation. Basic concepts and principal results of the asymptotic theory are discussed. The study focuses on straight oblique wings and V-shaped swept wings, of which the local centerline curvature can be equated to zero. The three-dimensional (3-D) perturbation of the nonlinear component flow admits a similarity flow structure but requires that all wing sections are generated from a single airfoil profile; the reduced 2-D problems in this case are solved only once for all span stations. Examples of solutions involving high subcritical and slightly supercritical component flows are demonstrated and compared with surface pressure data from 3-D computer codes based on the full-potential equation (FLO 22). Except in the neighborhood of leading edges, where the small-disturbance assumption breaks down, and in the vicinities of wing tips and the symmetry plane, where neither the theory nor the 3-D codes may claim full validity, reasonable agreement is consistently found. The explicit results from the upwash analysis, along with the similarity flow structure, provides a rational approach to the control of 3-D effects in transonic aerodynamic design studies.

Cheng, H. K.↗