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At least 1,441 records · Page 80

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NASA NTRS2006

Uncertainty Analysis for a Jet Flap Airfoil

An analysis of variance (ANOVA) study was performed to quantify the potential uncertainties of lift and pitching moment coefficient calculations from a computational fluid dynamics code, relative to an experiment, for a jet flap airfoil configuration. Uncertainties due to a number of factors including grid density, angle of attack and jet flap blowing coefficient were examined. The ANOVA software produced a numerical model of the input coefficient data, as functions of the selected factors, to a user-specified order (linear, 2-factor interference, quadratic, or cubic). Residuals between the model and actual data were also produced at each of the input conditions, and uncertainty confidence intervals (in the form of Least Significant Differences or LSD) for experimental, computational, and combined experimental / computational data sets were computed. The LSD bars indicate the smallest resolvable differences in the functional values (lift or pitching moment coefficient) attributable solely to changes in independent variable, given just the input data points from selected data sets. The software also provided a collection of diagnostics which evaluate the suitability of the input data set for use within the ANOVA process, and which examine the behavior of the resultant data, possibly suggesting transformations which should be applied to the data to reduce the LSD. The results illustrate some of the key features of, and results from, the uncertainty analysis studies, including the use of both numerical (continuous) and categorical (discrete) factors, the effects of the number and range of the input data points, and the effects of the number of factors considered simultaneously.

Green, Lawrence L.↗

DOE OSTI2016

Simulated Online Adaptive Magnetic Resonance–Guided Stereotactic Body Radiation Therapy for the Treatment of Oligometastatic Disease of the Abdomen and Central Thorax: Characterization of Potential Advantages

Purpose: To characterize potential advantages of online-adaptive magnetic resonance (MR)-guided stereotactic body radiation therapy (SBRT) to treat oligometastatic disease of the non-liver abdomen and central thorax. Methods and Materials: Ten patients treated with RT for unresectable primary or oligometastatic disease of the non-liver abdomen (n=5) or central thorax (n=5) underwent imaging throughout treatment on a clinical MR image guided RT system. The SBRT plans were created on the basis of tumor/organ at risk (OAR) anatomy at initial computed tomography simulation (P{sub I}), and simulated adaptive plans were created on the basis of observed MR image set tumor/OAR “anatomy of the day” (P{sub A}). Each P{sub A} was planned under workflow constraints to simulate online-adaptive RT. Prescribed dose was 50 Gy/5 fractions, with goal coverage of 95% planning target volume (PTV) by 95% of the prescription, subject to hard OAR constraints. The P{sub I} was applied to each MR dataset and compared with P{sub A} to evaluate changes in dose delivered to tumor/OARs, with dose escalation when possible. Results: Hard OAR constraints were met for all P{sub Is} based on anatomy from initial computed tomography simulation, and all P{sub As} based on anatomy from each daily MR image set. Application of the P{sub I} to anatomy of the day caused OAR constraint violation in 19 of 30 cases. Adaptive planning increased PTV coverage in 21 of 30 cases, including 14 cases in which hard OAR constraints were violated by the nonadaptive plan. For 9 P{sub A} cases, decreased PTV coverage was required to meet hard OAR constraints that would have been violated in a nonadaptive setting. Conclusions: Online-adaptive MRI-guided SBRT may allow PTV dose escalation and/or simultaneous OAR sparing compared with nonadaptive SBRT. A prospective clinical trial is underway at our institution to evaluate clinical outcomes of this technique.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

NASA NTRSDate not supplied

A Preliminary Assessment of Step Effects on the BOLT Geometry in Mach 6 Flow

An infrared thermography measurement technique has been installed in the Langley Aerothermodynamic Laboratory. The system is calibrated for use with commercially available thermoplastics and ceramic materials, and to the surface temperature ranges when exposed to the facility hypersonic flow. Herein an uncertainty quantification is performed, revealing 5% surface temperature and 20% heat transfer uncertainty bands to two-sigma confidence. As a first application of the test measurement technique, an investigation was conducted to explore the correlation between the height of forward facing (FF) and rearward facing (RF) two-dimensional steps, free stream Reynolds number, and the onset of boundary layer transition from laminar to turbulent in Mach 6 flow on a 50% scale Boundary Layer Transition (BOLT) flight test vehicle geometry. Computational predictions were generated to identify potential x/L locations of transition onset for various flow conditions with a smooth outer mold line geometry and are compared to experimental results. The BOLT Step Test was conducted in the NASA Langley Aerothermodynamic Laboratory 20-inch Mach 6 wind tunnel at Reynolds numbers between 1.4 and 11.3 million conditions for various step heights. Data were collected using a developmental infrared thermography test technique and reduced to heat transfer for comparison with CFD solutions. This is a preliminary assessment of the developmental infrared thermography test technique used to acquire and reduce the experimental data. insight into the ongoing comparative analysis of the effects of FF and RF steps on boundary layer transition for the BOLT geometry in Mach 6 flow.

BOLT↗

DOE OSTI2023

Revisiting Selenium Interactions with Pyrite: From Adsorption to Coprecipitation

Interactions of selenium (Se), a trace element bio-essential at low concentrations but highly toxic at high concentrations, with the most abundant sulfide mineral in the Earth's crust, namely pyrite, was investigated over a wide range of time scales. At the nanosecond scale, selenate Se(VI)O 4 2– adsorption onto the net pyrite surface is shown by ab-initio computations to proceed via the formation of a chemical bond between an oxyanion oxygen atom and a surface Fe atom, weakening the other Se-O bonds and reducing Se atom oxidation state. At the hour-to-day scale, adsorption and coprecipitation of selenate Se(VI)O 4 2– and selenite, Se(IV)O 3 2– , were investigated through wet chemical batch experiments at various pH values at different sulfide concentrations. Selenium removal from solution is slower and weaker for selenate than for selenite. After 24h, only 10% of selenate, against 60% of selenite (up to 100% in the presence of sulfide), is removed by the pyrite surface. Independently of its original oxidation state, adsorbed Se is completely reduced to elemental trigonal selenium via adsorption, precipitation or coprecipitation, as shown by XANES spectroscopy. Here, our EXAFS results, compared to published data on Se-rich pyrite, show a Se to S substitution within the pyrite structure. The reductive coprecipitation mechanism of selenium with pyrite represents valuable new insights for improving our understanding of modern and ancient biogeochemical cycles involving Se. In addition, several industries can benefit from direct applications of our findings, such as water treatment, green technologies and sustainable mining.

Adsorption↗

DOE OSTI2015

Ab initio Bogoliubov coupled cluster theory for open-shell nuclei

Background: Ab initio many-body methods have been developed over the past 10 yr to address closed-shell nuclei up to mass A≈130 on the basis of realistic two- and three-nucleon interactions. A current frontier relates to the extension of those many-body methods to the description of open-shell nuclei. Several routes to address open-shell nuclei are currently under investigation, including ideas that exploit spontaneous symmetry breaking. Purpose: Singly open-shell nuclei can be efficiently described via the sole breaking of U(1) gauge symmetry associated with particle-number conservation as a way to account for their superfluid character. While this route was recently followed within the framework of self-consistent Green's function theory, the goal of the present work is to formulate a similar extension within the framework of coupled cluster theory. Methods: We formulate and apply Bogoliubov coupled cluster (BCC) theory, which consists of representing the exact ground-state wave function of the system as the exponential of a quasiparticle excitation cluster operator acting on a Bogoliubov reference state. Equations for the ground-state energy and the cluster amplitudes are derived at the singles and doubles level (BCCSD) both algebraically and diagrammatically. The formalism includes three-nucleon forces at the normal-ordered two-body level. The first BCC code is implemented in m scheme, which will permit the treatment of doubly open-shell nuclei via the further breaking of SU(2) symmetry associated with angular momentum conservation. Results: Proof-of-principle calculations in an N max =6 spherical harmonic oscillator basis for 16,18 O and 18 Ne in the BCCD approximation are in good agreement with standard coupled cluster results with the same chiral two-nucleon interaction, while 20 O and 20 Mg display underbinding relative to experiment. The breaking of U(1) symmetry, monitored by computing the variance associated with the particle-number operator, is relatively constant for all five nuclei, in both the Hartree-Fock-Bogoliubov and BCCD approximations. Conclusions: The newly developed many-body formalism increases the potential span of ab initio calculations based on single-reference coupled cluster techniques tremendously, i.e., potentially to reach several hundred additional midmass nuclei. The new formalism offers a wealth of potential applications and further extensions dedicated to the description of ground and excited states of open-shell nuclei. Short-term goals include the implementation of three-nucleon forces at the normal-ordered two-body level. Midterm extensions include the approximate treatment of triples corrections and the development of the equation-of-motion methodology to treat both excited states and odd nuclei. Long-term extensions include exact restoration of U(1) and SU(2) symmetries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1975

Scanning thermal plumes

Over a three-year period 800 thermal line scans of power plant plumes were made by an airborne scanner, with ground truth measured concurrently at the plants. Computations using centered finite differences in the thermal scanning imagery show a lower bound in the horizontal temperature gradient in excess of 1.6 C/m. Gradients persist to 3 m below the surface. Vector plots of the velocity of thermal fronts are constructed by tracing the front motion in successive thermal images. A procedure is outlined for the two-point ground calibration of a thermal scanner from an equation describing the scanner signal and the voltage for two known temperatures. The modulation transfer function is then calculated by input of a thermal step function and application of digital time analysis techniques using Fast Fourier Transforms to the voltage output. Field calibration tests are discussed. Data accuracy is limited by the level of ground truth effort chosen.

Scarpace, F. L.↗

NASA NTRS1991

Calculations of H2O microwave line broadening in collisions with He atoms - Sensitivity to potential energy surfaces

Theoretical computations of broadening parameters are reported for three microwave lines of H2O in a bath of He atoms. The potential-energy surfaces employed are corrected for basis-set superposition error, and their reliability is checked by repeating the calculations with a different basis set for orbital expansion. The results are presented in extensive tables and discussed in detail. The corrections applied are shown to have a significant impact on the accuracy of the room-temperature broadenings determined: 8.9 sq A for the 22.2-GHz line, 11.8 sq A for the 183,3-GHz line, and 10.0 sq A for the 380.2-GHz line, in good agreement with published experimental data. The importance of collisional broadening for the atmospheric transmission of radiation and for remote-sensing applications is indicated.

Green, Sheldon↗

DOE OSTI2025

Galerkin formulation of path integrals in lattice field theory

We present a mathematical framework for Galerkin formulations of path integrals in lattice field theory. The framework is based on using the degrees of freedom (DOFs) associated to a Galerkin discretization as the fundamental lattice variables. We formulate standard concepts in lattice field theory, such as the partition function and correlation functions, in terms of the DOFs. For example, using continuous finite element spaces, we show that the two-point spatial correlation function can be defined between any two points on the domain (as opposed to at just lattice sites) and furthermore, this two-point function satisfies a weak propagator (or Green’s function) identity, in analogy to the continuum case, as well as a convergence estimate obtained from the standard finite element techniques. Furthermore, this framework leads naturally to higher-order formulations of lattice field theories by considering higher-order finite element spaces for the Galerkin discretization. We consider analytical and numerical examples of scalar field theory to investigate how increasing the order of piecewise polynomial finite element spaces affect the approximation of lattice observables. Finally, we sketch an outline of this Galerkin framework in the context of gauge field theories.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Operator origin of anomalous dimensions in de Sitter space

The late-time limit of the power spectrum for heavy (principal series) fields in de Sitter (dS) space yields a series of polynomial terms with complex scaling dimensions. Such scaling behavior is expected to result from an associated operator with a complex dimension. In a free theory, these complex dimensions are known to match the constraints imposed by unitarity on the space of states. Yet, perturbative corrections to the scaling behavior of operators are naively inconsistent with unitary evolution of the quantum fields in dS space. This paper demonstrates how to compute one-loop corrections to the scaling dimensions that appear in the two-point function from the field theory description in terms of local operators. We first show how to evaluate these anomalous dimensions using Mellin space, which has the feature that it naturally accommodates a scaleless regulator. We then explore the consequences for the soft de Sitter effective theory (SdSET) description that emerges in the long wavelength limit. Carefully matching between the UV and SdSET descriptions requires the introduction of novel nondynamical “operators” in the effective theory. This is not only necessary to reproduce results extracted from the Källén-Lehmann representation (that use the space of unitary states directly), but it is also required by general arguments that invoke positivity. Published by the American Physical Society 2025

Cohen, Timothy↗

NASA NTRS1988

Computational aspects of sensitivity calculations in transient structural analysis

A key step in the application of formal automated design techniques to structures under transient loading is the calculation of sensitivities of response quantities to the design parameters. This paper considers structures with general forms of damping acted on by general transient loading and addresses issues of computational errors and computational efficiency. The equations of motion are reduced using the traditional basis of vibration modes and then integrated using a highly accurate, explicit integration technique. A critical point constraint formulation is used to place constraints on the magnitude of each response quantity as a function of time. Three different techniques for calculating sensitivities of the critical point constraints are presented. The first two are based on the straightforward application of the forward and central difference operators, respectively. The third is based on explicit differentiation of the equations of motion. Condition errors, finite difference truncation errors, and modal convergence errors for the three techniques are compared by applying them to a simple five-span-beam problem. Sensitivity results are presented for two different transient loading conditions and for both damped and undamped cases.

Greene, William H.↗

NASA NTRS1989

Computational aspects of sensitivity calculations in transient structural analysis

A key step in the application of formal automated design techniques to structures under transient loading is the calculation of sensitivities of response quantities to the design parameters. This paper considers response quantities to the design parameters. This paper considers structures with general forms of damping acted on by general transient loading and addresses issues of computational errors and computational efficiency. The equations of motion are reduced using the traditional basis of vibration modes and then integrated using a highly accurate, explicit integration technique. A critical point constraint formulation is used to place constraints on the magnitude of each response quantity as a function of time. Three different techniques for calculating sensitivities of the critical point constraints are presented. The first two are based on the straightforward application of the forward and central difference operators, respectively. The third is based on explicit differentiation of the equations of motion. Condition errors, finite difference truncation errors, and modal convergence errors for the three techniques are compared by applying them to a simple five-span-beam problem. Sensitivity results are presented for two different transient loading conditions and for both damped and undamped cases.

Greene, William H.↗

NASA NTRS1990

Wall interference assessment/correction (WIAC) for transonic airfoil data from porous and shaped wall test sections

An existing computational wall interference assessment/correction (WIAC) procedure is applied to two sets of transonic airfoil data obtained from the same model tested in both a porous, planar-wall and a solid, shaped-wall test section. The published airfoil data from the porous test section agrees reasonably well with the published data from the shaped wall test section, although some differences exist. The WIAC procedure is applied to the data to assess and correct any wall interference effects; WIAC corrections generally improve the correlation between the two data sets. As an independent verification, both the published and WIAC corrected airfoil data are compared to Navier-Stokes calculations. Correlations are generally better between the WIAC corrected data and the Navier-Stokes calculations than between similar correlations with the published data.

Mineck, Raymond E.↗

NASA NTRSDate not supplied

A Preliminary Assessment of Step Effects on the BOLT Geometry in Mach 6 Flow

BOLT↗

DOE OSTI2018

Wide ranging equation of state with Tartarus: A hybrid Green’s function/orbital based average atom code

Average atom models are widely used to make equation of state tables and for calculating other properties of materials over a wide range of conditions, from zero temperature isolated atom to fully ionized free electron gases. The numerical challenge of making these density functional theory based models work for any temperature, density or nuclear species is formidable. Here we present in detail a hybrid Green’s function/orbital based approach that has proved to be stable and accurate for wide ranging conditions. Algorithmic strategies are discussed. In particular the decomposition of the electron density into numerically advantageous parts is presented and a robust and rapid self consistent field method based on a quasi-Newton algorithm is given. Example application to the equation of state of lutetium (Z = 71) is explored in detail, including the effect of relativity, finite temperature exchange and correlation, and a comparison to a less approximate method. Furthermore, the hybrid scheme is found to be numerically stable and accurate for lutetium over at least 6 orders of magnitude in density and 5 orders of magnitude in temperature.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Los Alamos National Laboratory LiDAR Processing and Hydro-Enforcement Report

This report describes a project conducted by Los Alamos National Laboratory (LANL) and 3AE Green to process and hydro-enforce LiDAR data over approximately 170 square miles. A variety of Government Furnished Information (GFI) including LiDAR (2021), 3-inch pixel resolution natural-color imagery (2018), stormwater infrastructure, culvert, bridge, and building features were analyzed to develop a hydro-enforced digital elevation model (DEM). Where overland flow was obstructed by elevation surface feature, representational cutline features were placed and integrated into the LiDAR-based elevation surface to allow for more appropriate flow across roadbeds and other impediments to natural flow. This hydro-enforced DEM was utilized to model and develop more than 6.5 million three-dimensional (3D) vector flow line features (prior to line joining / merging) representing the derived digital drainage network deliverable.

42 ENGINEERING↗

NASA NTRS1978

Effect of molecular anisotropy on beam scattering measurements

Within the energy sudden approximation, the total integral and total differential scattering cross sections are given by the angle average of scattering cross sections computed at fixed rotor orientations. Using this formalism the effect of molecular anisotropy on scattering of He by HCl and by CO is examined. Comparisons with accurate close coupling calculations indicate that this approximation is quite reliable, even at very low collision energies, for both of these systems. Comparisons are also made with predictions based on the spherical average of the interaction. For HCl the anisotropy is rather weak and its main effect is a slight quenching of the oscillations in the differential cross sections relative to predictions of the spherical averaged potential. For CO the anisotropy is much stronger, so that the oscillatory pattern is strongly quenched and somewhat shifted. It appears that the sudden approximation provides a simple yet accurate method for describing the effect of molecular anisotropy on scattering measurements.

Goldflam, R.↗

NASA NTRS1991

RSM 1.0 user's guide: A resupply scheduler using integer optimization

The Resupply Scheduling Model (RSM) is a PC based, fully menu-driven computer program. It uses integer programming techniques to determine an optimum schedule to replace components on or before a fixed replacement period, subject to user defined constraints such as transportation mass and volume limits or available repair crew time. Principal input for RSJ includes properties such as mass and volume and an assembly sequence. Resource constraints are entered for each period corresponding to the component properties. Though written to analyze the electrical power system on the Space Station Freedom, RSM is quite general and can be used to model the resupply of almost any system subject to user defined resource constraints. Presented here is a step by step procedure for preparing the input, performing the analysis, and interpreting the results. Instructions for installing the program and information on the algorithms are given.

Viterna, Larry A.↗

DOE OSTI2018

A way to optimally solve a green time-dependent vehicle routing problem with time windows

This study presents a novel approach to solve the vehicle routing problem by focusing on greenhouse gas emissions and fuel consumption aiming to mitigate adverse environmental effects of transportation. A time-dependent model with time windows is developed to incorporate speed and schedule in transportation planning. The model considers speed limits for different times of the day in a realistic delivery context. Due to the complexity of solving the model, a graph transformation approach is proposed to reduce the complexity of the problem. By means of several steps, the problem is transformed into a vehicle routing problem without time windows. In this way, we can reduce the complexity of the problem. Our method can be used in practice to decrease fuel consumption and greenhouse gas emissions, while total cost is also controlled to some extent. Finally, future research directions and conclusion remarks are provided.

54 ENVIRONMENTAL SCIENCES↗