Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “scattering geometry”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Investigation of ramp injectors for supersonic mixing enhancement

A comparative study of wall mounted swept ramp injectors fitted with injector nozzles of different shape has been conducted in a constant area duct to explore mixing enhancement techniques for scramjet combustors. Six different injector nozzle inserts, all having equal exit and throat areas, were tested to explore the interaction between the preconditioned fuel jet and the vortical flowfield produced by the ramp: circular nozzle (baseline), nozzle with three downstream facing steps, nozzle with four vortex generators, elliptical nozzle, tapered-slot nozzle, and trapezoidal nozzle. The main flow was air at Mach 2, and the fuel was simulated by air injected at Mach 1.63 or by helium injected at Mach 1.7. Pressure and temperature surveys, combined with Mie and Rayleigh scattering visualization, were used to investigate the flow field. The experiments were compared with three dimensional Navier-Stokes computations. The results indicate that the mixing process is dominated by the streamwise vorticity generated by the ramp, the injectors' inner geometry having a minor effect. It was also found that the injectant/air mixing in the far-field is nearly independent of the injector geometry, molecular weight of the injectant, and the initial convective Mach number.

Haimovitch, Y.↗
DOE OSTI2022

Simulation of the Impact of Point Defects and Edge Dislocations on X-Ray Diffraction in Hexagonal (Ni,Co) 1+2 x Ti 1– x O 3 Thin Films

In this work, a computer code for simulating high-resolution X-ray diffraction (XRD) data from disordered crystals with arbitrary spatial composition and local lattice parameters is developed. Simulated patterns are compared with the experimental data collected on a single phase, highly crystalline (Ni 0.42 Co 0.58 ) 2.22 Ti 0.39 O 3 solid-solution thin film exhibiting a large number of subsidiary minima. As a case study, the edge dislocations in hexagonal (Ni,Co) 3 O 3 thin films with Burgers vector parallel and perpendicular to the a-axis and c-axis, respectively, are modeled. No peak profiles are assumed and thus issues related to profile fitting are avoided. Both macroscopic features, such as film thickness, and atomic-scale structure, such as dislocations, are simultaneously modeled. Simulations are run on a desktop machine. Commonly applied database-based phase identification routines can result in wrong phase identification, unless intensities are properly modeled. Modeling tools of diffractometer manufacturers are compared with the present approach. An example of how simulated reciprocal lattice patterns can be used to choose relevant measurement geometries in defected thin films is given.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Utilisation of spatial derivative measurements in circular diffuse optical tomographic imaging to improve image resolution and contrast

The resolution of images recovered using diffuse optical tomography without spatial prior information is inherently limited due to the diffusive nature of light transport in scattering dominated biological tissue. Several studies have previously reported an improvement in depth sensitivity in near infrared spectroscopy by considering the subtraction of two neighbouring measurements. A nearest neighbour, spatial derivative based algorithm is presented, in which the difference between neighbouring source-sharing source – detector pairs is considered for tomographic reconstruction. Using a circular, inward-facing optode geometry, it is shown that deeper abnormalities in oxyhaemoglobin, deoxyhaemoglobin and water can be recovered with better localisation and contrast as compared to reconstructing using absolute values of multi-wavelength data. Relative improvements of up to 25 % in quantitative accuracy of recovered physiological values are demonstrated at better resolution for cancerous tissue in a heterogeneous breast model, when using this proposed spatial derivative based parameter reconstruction. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

Development of a fs/ps CARS System for Temperature Measurements in Supersonic and Hypersonic Environments

A hybrid femtosecond/picosecond coherent anti-Stokes Raman scattering (fs/ps CARS) system was developed for quantitative measurements of temperature in a laboratory-scale supersonic jet facility. Measurements were recorded at low pressures and densities relevant for supersonic and hypersonic environments, with special interest in exploring the feasibility of deploying this technique in the 20-inch Mach 6 and 31-inch Mach 10 wind tunnels located at NASA Langley Research Center. Modifications to the existing supersonic jet facility were made to simulate a test section with a width of 31 inches, so that the size of the test section is relevant for either wind tunnel. The CARS system was designed such that a similar beam geometry can be used in the laboratory to acquire point-based fs/ps CARS measurements along two axes of translation. Rotational Raman transitions of O 2 and N 2 were targeted.

CARS↗
DOE OSTI2021

Quantum many-body calculations using body-centered cubic lattices

It is often computationally advantageous to model space as a discrete set of points forming a lattice grid. This technique is particularly useful for computationally difficult problems such as quantum many-body systems. For reasons of simplicity and familiarity, nearly all quantum many-body calculations have been performed on simple cubic lattices. Since the removal of lattice artifacts is often an important concern, it would be useful to perform calculations using more than one lattice geometry. In this paper we show how to perform quantum many-body calculations using auxiliary-field Monte Carlo simulations on a three-dimensional body-centered cubic (BCC) lattice. As a benchmark test we compute the ground state energy of 33 spin-up and 33 spin-down neutrons in the unitary limit, which is an idealized limit where the interaction range is zero and scattering length is infinite. As a fraction of the free Fermi gas energy E FG , we find that the ground state energy is E 0 /E FG =0.369(2),0.371(2), using two different definitions of the finite-system energy ratio. This is in excellent agreement with recent results obtained on a cubic lattice [He et al., Phys. Rev. A 101, 063615 (2020)]. We find that the computational effort and performance on a BCC lattice is approximately the same as that for a cubic lattice with the same number of lattice points. We discuss how the lattice simulations with different geometries can be used to constrain the size of lattice artifacts in simulations of continuum quantum many-body systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

The structural plasticity of nucleic acid duplexes revealed by WAXS and MD

Double-stranded DNA (dsDNA) and RNA (dsRNA) helices display an unusual structural diversity. Some structural variations are linked to sequence and may serve as signaling units for protein-binding partners. Therefore, elucidating the mechanisms and factors that modulate these variations is of fundamental importance. While the structural diversity of dsDNA has been extensively studied, similar studies have not been performed for dsRNA. Because of the increasing awareness of RNA’s diverse biological roles, such studies are timely and increasingly important. We integrate solution x-ray scattering at wide angles (WAXS) with all-atom molecular dynamics simulations to explore the conformational ensemble of duplex topologies for different sequences and salt conditions. These tightly coordinated studies identify robust correlations between features in the WAXS profiles and duplex geometry and enable atomic-level insights into the structural diversity of DNA and RNA duplexes. Notably, dsRNA displays a marked sensitivity to the valence and identity of its associated cations.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1981

Aircraft wing trailing-edge noise

The mechanism and sound pressure level of the trailing-edge noise for two-dimensional turbulent boundary layer flow was examined. Experiment is compared with current theory. A NACA 0012 airfoil of 0.61 m chord and 0.46 m span was immersed in the laminar flow of a low turbulence open jet. A 2.54 cm width roughness strip was placed at 15 percent chord from the leading edge on both sides of the airfoil as a boundary layer trip so that two separate but statistically equivalent turbulent boundary layers were formed. Tests were performed with several trailing-edge geometries with the upstream velocity U sub infinity ranging from a value of 30.9 m/s up to 73.4 m/s. Properties of the boundary layer for the airfoil and pressure fluctuations in the vicinity of the trailing-edge were examined. A scattered pressure field due to the presence of the trailing-edge was observed and is suggested as a possible sound producing mechanism for the trailing-edge noise.

Underwood, R. L.↗
NASA NTRS1983

Laboratory analysis of techniques for remote sensing of estuarine parameters using laser excitation

The theoretical concepts underlying remote sensing of estuarine parameters using laser excitation are examined. The concepts are extended to include Mie scattering as a measure of the total suspended solids and to develop the water Raman signal as an internal standard. Experimental validation of the theory was performed using backscattered laser light from a laboratory tank to simulate a remote-sensing geometry. Artificially prepared sediments and biological cultures were employed to check specific aspects of the theory under controlled conditions. Natural samples gathered from a variety of water types were also analyzed in the tank to further enhance the simulation. The results indicate that it should be possible to remotely quantify total suspended solids, dissolved organics, attenuation coefficient, chlorophyll a, and phycoerythrin in estuarine water using laser excitation.

Exton, R. J.↗
NASA NTRS1993

The scattered solar X-ray background of the ROSAT PSPC

A model for accurately reproducing the light curves and spectra of the scattered solar X-ray background (SB) affecting ROSAT XRT/PSPC pointed observations is presented and demonstrated. This procedure, the modeling and subtraction of the SB, is vital for analysis of all observations of extended X-ray objects and the soft X-ray diffuse background where noncosmic background constituents must be precisely known. At the orbital altitude of ROSAT, about 550 km, and the zenith angles at which the XRT/PSPC observers, 97 deg or less, the scattering is dominated by atomic oxygen with Thomson-scattered X-rays in the 1/4 keV band and oxygen K-alpha fluorescently scattered X-rays at 0.54 keV. This produces field-of-view-integrated minimum count rates in the 0.1-1.0 keV band of about 0.25 counts/s during dayside observations with excursions to about 40 counts/s or more in particularly bad geometries. Typical cosmic background count rates in the same band range from 3 to 12 counts/s, demonstrating the need for the procedure described here.

Snowden, S. L.↗
NASA NTRS1994

Convective flow effects on protein crystal growth

The long-term stability of the interferometric setup for the monitoring of protein morphologies has been improved. Growth or dissolution of a crystal on a 100 A scale can now be clearly distinguished from dimensional changes occurring within the optical path of the interferometer. This capability of simultaneously monitoring the local interfacial displacement at several widely-spaced positions on the crystal surface with high local depth resolution, has already yielded novel results. We found with lysozyme that (1) the normal growth rate is oscillatory, and (2) the mean growth step density is greater at the periphery of a facet than in its center. The repartitioning of Na(+) and Cl(-) ions between lysozyme solutions and crystals was studied for a wide range of crystallization conditions. A nucleation-growth-repartitioning model was developed to interpret the large body of data in a unified way. The results strongly suggests that (1) the ion to lysozyme ratio in the crystal depends mostly on kinetic rather than crystallographic parameters, and (2) lysozyme crystals possess a salt-rich core with a diameter on the order of 10 microns. The computational model for diffusive-convective transport in protein crystallization (see the First Report) has been applied to a realistic growth cell geometry, taking into account the findings of the above repartitioning studies. These results show that some elements of a moving boundary problem must be incorporated into the model in order to obtain a more realistic description. Our experimental setup for light scattering investigations of aggregation and nucleation in protein solutions has been extensively tested. Scattering intensity measurements with a true Rayleigh scatterer produced systematically increased forward scattering, indicating problems with glare. These have been resolved. Preliminary measurements with supersaturated lysozyme solutions revealed that the scatterers grow with time. Work has begun on a computer program for the unified evaluation of simultaneously obtained, multi-angle static and dynamic light scattering data.

Rosenberger, Franz↗
NASA NTRS2000

Effect of Crystal Orientation on Analysis of Single-Crystal, Nickel-Based Turbine Blade Superalloys

High-cycle fatigue-induced failures in turbine and turbopump blades is a pervasive problem. Single-crystal nickel turbine blades are used because of their superior creep, stress rupture, melt resistance, and thermomechanical fatigue capabilities. Single-crystal materials have highly orthotropic properties making the position of the crystal lattice relative to the part geometry a significant and complicating factor. A fatigue failure criterion based on the maximum shear stress amplitude on the 24 octahedral and 6 cube slip systems is presented for single-crystal nickel superalloys (FCC crystal). This criterion greatly reduces the scatter in uniaxial fatigue data for PWA 1493 at 1,200 F in air. Additionally, single-crystal turbine blades used in the Space Shuttle main engine high pressure fuel turbopump/alternate turbopump are modeled using a three-dimensional finite element (FE) model. This model accounts for material orthotrophy and crystal orientation. Fatigue life of the blade tip is computed using FE stress results and the failure criterion that was developed. Stress analysis results in the blade attachment region are also presented. Results demonstrate that control of crystallographic orientation has the potential to significantly increase a component's resistance to fatigue crack growth without adding additional weight or cost.

Swanson, G. R.↗
NASA NTRS2005

Issues and Methods Concerning the Evaluation of Hypersingular and Near-Hypersingular Integrals in BEM Formulations

It is known that higher order modeling of the sources and the geometry in Boundary Element Modeling (BEM) formulations is essential to highly efficient computational electromagnetics. However, in order to achieve the benefits of hIgher order basis and geometry modeling, the singular and near-singular terms arising in BEM formulations must be integrated accurately. In particular, the accurate integration of near-singular terms, which occur when observation points are near but not on source regions of the scattering object, has been considered one of the remaining limitations on the computational efficiency of integral equation methods. The method of singularity subtraction has been used extensively for the evaluation of singular and near-singular terms. Piecewise integration of the source terms in this manner, while manageable for bases of constant and linear orders, becomes unwieldy and prone to error for bases of higher order. Furthermore, we find that the singularity subtraction method is not conducive to object-oriented programming practices, particularly in the context of multiple operators. To extend the capabilities, accuracy, and maintainability of general-purpose codes, the subtraction method is being replaced in favor of the purely numerical quadrature schemes. These schemes employ singularity cancellation methods in which a change of variables is chosen such that the Jacobian of the transformation cancels the singularity. An example of the sin,oularity cancellation approach is the Duffy method, which has two major drawbacks: 1) In the resulting integrand, it produces an angular variation about the singular point that becomes nearly-singular for observation points close to an edge of the parent element, and 2) it appears not to work well when applied to nearly-singular integrals. Recently, the authors have introduced the transformation u(x(prime))= sinh (exp -1) x(prime)/Square root of ((y prime (exp 2))+ z(exp 2) for integrating functions of the form I = Integral of (lambda(r(prime))((e(exp -jkR))/(4 pi R) d D where A (r (prime)) is a vector or scalar basis function and R = Square root of( (x(prime)(exp2) + (y(prime)(exp2) + z(exp 2)) is the distance between source and observation points. This scheme has all of the advantages of the Duffy method while avoiding the disadvantages listed above. In this presentation we will survey similar approaches for handling singular and near-singular terms for kernels with 1/R(exp 2) type behavior, addressing potential pitfalls and offering techniques to efficiently handle special cases.

Fink, P. W.↗
NASA NTRS2019

A Fast All-Sky Radiation Model for Solar Applications with Narrowband Irradiances on Tilted Surfaces (FARMS-NIT): Part II. The Cloudy-Sky Model

The Fast All-sky Radiation Model for Solar applications with Narrowband Irradiances on Tilted surfaces (FARMSNIT) reported in Part I of this study is enhanced to include the requirements for cloudy-sky conditions. Surface radiances in 2002 narrow-wavelength bands from 0.28 to 4.0 μm are analytically computed by solving the radiative transfer equation for five independent photon paths accounting for clear-sky absorption, Rayleigh scattering, and cloud absorption and scattering. The Simple Model of the Atmospheric Radiative Transfer of Sunshine (SMARTS) is used to provide the optical thickness of the clear-sky atmosphere. Unlike Part I, which approximates the computation of aerosol scattering using the single-scattering phase function, the cloud transmittance and reflectance are efficiently retrieved from a comprehensive look-up table pre-computed by a 32-stream DIScrete Ordinates Radiative Transfer (DISORT) model for possible cloud conditions as well as solar and viewing geometries. A resolution analysis is performed to assess the optimal balance between the computational efficiency and accuracy in the development of the look-up table. Model simulations by DISORT and TMYSPEC are used to evaluate the performance of FARMS-NIT under cloudy-sky conditions. Compared to DISORT, FARMS-NIT yields 2–3% uncertainties on average, but it substantially reduces the computational time because of the independent computation of cloud properties and the implementation of the look-up table. In contrast to TMYSPEC, which uses successive steps to empirically compute plane-of-array (POA) irradiances and spectral irradiances, FARMS-NIT directly solves spectral radiances from the radiative transfer equation, which profoundly increases the accuracy in surface irradiances, especially over inclined photovoltaics (PV) panels.

Xie, Yu↗
NASA NTRSDate not supplied

Development of a fs/Ps CARS System for Temperature Measurements Within Supersonic and Hypersonic Environments

A hybrid femtosecond/picosecond coherent anti-Stokes Raman scattering (fs/ps CARS) system was developed for quantitative measurements of temperature in a laboratory-scale supersonic jet facility. Measurements were recorded at low pressures and densities relevant for supersonic and hypersonic environments, with special interest in exploring the feasibility of deploying this technique in the 20-inch Mach 6 and 31-inch Mach 10 wind tunnels located at NASA Langley Research Center. Modifications to the existing supersonic jet facility were made to simulate a test section with a width of 31 inches, so that the size of the test section is relevant for either wind tunnel. The CARS system was designed such that a similar beam geometry can be used in the laboratory to acquire point-based fs/ps CARS measurements along two axes of translation. Rotational Raman transitions of O 2 and N 2 were targeted.

CARS↗
DOE OSTI2022

Dose conversion factors for absorbed dose in a mobile phone to absorbed dose in critical organs in an anthropomorphic phantom for emergency dosimetry applications: OSL and TL experimental results, and Monte Carlo simulations

Here, an anthropomorphic phantom was equipped with three smartphones and irradiated in five separate exposure geometries in air using a 137 Cs source. The phantom was fitted internally with thermoluminescence dosimeters (TLD-700 chips) to measure the absorbed dose to the individual organs, while the absorbed doses in the phones were evaluated using optically stimulated luminescence (OSL) from the phones’ surface mount resistors (SMRs), along with reference dosimeters, namely Luxel OSL films and TLD-700 chips. The results indicate a strong dependence on the phone location with respect to the source due to shielding and scattering from the body. Dose conversion factors were calculated for several plausible exposure scenarios in order to correlate the absorbed doses measured in the phones to the average body dose received by the phantom. The measured conversion factors were compared with calculated factors using MCNP6.2 Monte Carlo simulations and an ADAM voxel phantom. Experiments were conducted to assess how the phone orientation and angle impacts the dose received by the phone components. The overall results indicate that the doses measured can vary significantly depending upon exposure geometry (including phone position and angle). However, in rotational irradiation symmetry, the phone doses lead to an over-estimate of the average whole-body dose by an average of ~10%, independent of the phone locations tested in this study. This result, if confirmed in future studies, may be acceptable for triage.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2022

Absolute calibration of the conical crystal configuration of the zinc spectrometer (ZSPEC) at the OMEGA laser facility

In this study, we present the absolute calibration of the conical crystal for the zinc spectrometer (ZSPEC), an x-ray spectrometer at the OMEGA laser facility at the Laboratory for Laser Energetics. The ZSPEC was originally designed to measure x-ray Thomson scattering using flat or cylindrically curved highly oriented pyrolytic graphite crystals centered around Zn He-alpha emission at 9 keV. To improve the useful spectral range and collection efficiency of the ZSPEC, a conical highly annealed pyrolytic graphite crystal was fabricated for the ZSPEC. The conically bent crystal in the Hall geometry produces a line focus perpendicular to the spectrometer axis, corresponding to the detector plane of electronic detectors at large scale laser facilities such as OMEGA, extending the useful range of the spectrometer to 7–11 keV. Further, using data collected using a microfocus Mo x-ray source, we determine important characteristics of ZSPEC such as the dispersion, spatial resolution, and absolute sensitivity of the instrument. A ray-trace model of ZSPEC provides another point of agreement in calculations of the ZSPEC dispersion and crystal response.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

An Accurate, Affordable Density Functional Tight-Binding Model for Excited State Hydrocarbon Polymer Molecular Dynamics

We have developed a density functional tight-binding model for hydrocarbon excited state dynamics by referencing to high-level electronic structure theory and incorporating a many-body repulsive energy. We then validate our model against n-octane geometry optimizations, bond dissociation scans, and vibrational frequencies. Our model is approximately 10 3 times more efficient than hybrid time-dependent density functional theory calculations with comparable accuracy. In conclusion, our efforts enable longer timescale excited state simulations of photochemistry and scattering of incident radiation.

Chemical calculations↗
DOE OSTI2025

Coupling of Charge Regulation and Geometry in Soft Ionizable Molecular Assemblies

The size, shape, and charge of structures, such as proteins and amphiphile assemblies, respond in an interconnected manner to solution ionic conditions. Here, we analyze assemblies of an amphiphile (C 16 K 2 ), with two ionizable amino acids [lysine (K)] coupled to a 16-carbon alkyl tail, via small-angle X-ray scattering (SAXS), nonlinear Poisson–Boltzmann theory (nl-PB), and hybrid Monte Carlo-molecular dynamics (MC-MD) simulations. SAXS revealed structural transitions from spherical micelles to cylindrical micelles to bilayers with increasing pH. By combining SAXS-determined structural information and nl-PB, we derived the molecular degree of ionization as a function of pH. The back-calculated titration curves matched the experimental data over an extended pH range, without adjustable parameters. Similarly, the SAXS data on the evolution of spherical micelle structure with ionic strength were combined with nl-PB and MC-MD to derive the bare and effective charges. MC-MD, which considered finite ion sizes, showed that bare and effective charges saturate quickly with increasing salt concentration. Furthermore, the calculated effective charges closely matched results from Zeta-potential measurements. The presented approach has advantages over customary methods for charge regulation, such as the Henderson–Hasselbalch (HH) or Hill models, where molecular ionization/deionization in assemblies is described by effective pKs that are distinct from the pK for isolated molecules. However, these models lack a physical explanation for these pK shifts. By contrast, our approach of combining structural details with an electrostatic model and simulations provides a more intuitive understanding of structure-charge coupling and a framework for understanding charge regulation in many synthetic and biological systems.

ionization↗