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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.

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At least 1,099 records · Page 61

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Systematically derived thermodynamic properties for alkane oxidation

Key combustion properties, such as ignition delay time, show strong sensitivity to the thermochemistry of the main species in the standard radical oxidation pathway at low temperatures (600-1000K). Significant uncertainties persist in current estimates of thermodynamic properties, particularly for the larger species of relevance to common practical fuels. In this article, we use advanced computational schemes to evaluate thermodynamic properties for the fuel, fuel radical, peroxy, hydroperoxy-alkyl radical, and hydroperoxide species for a set of 17 fuels containing up to 9 carbon atoms, and with various degrees of branching in the alkane backbone. The procedure, termed STAR-1D, combines conformer sampling to find the minimum geometry, B2PLYP-D3/cc-pVTZ harmonic frequency evaluations, and omega B97X-D/cc-pVTZ one-dimensional torsional mapping. It includes two physically-based scaling routines: a frequency-dependent scaling to B2PLYP-D3/cc-pVTZ anharmonic frequencies and a scaling of one-dimensional omega B97X-D/ccpVTZ torsional profiles to reproduce the product of the B2PLYP-D3/cc-pVTZ frequencies in the harmonic limit. Substantive comparisons with existing experimental databases, together with careful examinations of key theoretical assumptions, are used to explore the accuracy of the predictions. These computationally intensive explorations of 195 species were facilitated by automated thermochemistry software. Further, high accuracy 0 K heats of formation from a separate study are used with the STAR-1D computations to generate NASA polynomial representations. In addition to their intrinsic value, the present results also provide a reliable database for the optimization of group additivity or machine learning schemes for scaling to larger combustion systems. Towards this end a complementary extensive conformational analysis is carried out for the medium sized species and the thermodynamic properties of the lowest energy hydrogen-bonded and non-hydrogen bonded conformers are contrasted for larger hydroperoxy-alkyl radical species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1987

A generalized procedure for constructing an upwind-based TVD scheme

A generalized formulation for constructing second- and higher-order accurate TVD (total variation diminishing) schemes is presented. A given scheme is made TVD by limiting antidiffusive flux differences with some nonlinear functions, so-called limiters. The general idea of the formulation and its mathematical proof of Harten's TVD conditions is shown by applying the Lax-Wendroff method to a scalar nonlinear equation and constant-coefficient system of conservation laws. For the system of equations, several definitions are derived for the argument used in the limiter function and present their performance to numerical experiments. Then the formulation is formally extended to the nonlinear system of equations. It is demonstrated that use of the present procedure allows easy conversion of existing central or upwind, and second- or higher-order differencing schemes so as to preserve monotonicity and to yield physically admissible solutions. The formulation is simple mathematically as well as numerically; neither matrix-vector multiplication nor Riemann solver is required. Roughly twice as much computational effort is needed as compared to conventional scheme. Although the notion of TVD is based on the initial value problem, application to the steady Euler equations of the formulation is also made. Numerical examples including various ranges of problems show both time- and spatial-accuracy in comparison with exact solutions.

Liou, Meng-Sing↗

NASA NTRS1963

Orbit determination and prediction, and computer programs

Orbit determination and prediction programs are needed to generate ephemerides for the satellite. Orbit determination is from tracking data consisting of angles only, and is based on a modified version of a method by R. E. Briggs and J. W. Slowey of the Smithsonian Institution. Trends in the data due to perturbations from a Keplerian orbit are removed before this process, and estimates of the orbital elements from individual passes are combined statistically to produce refined estimates. Ephemeris calculation is by a semi-analytic method in which deviations from a Keplerian orbit are obtained by integrating the perturbing forces. The programs to implement these procedures have been written for both the IBM 7090 and the IBM 1620 computers.

EPHEMERIS↗

NASA NTRS1951

A recurrence matrix solution for the dynamic response of aircraft in gusts

A systematic procedure developed for the calculation of the structural response of aircraft flying through a gust by use of difference equations in the solution of dynamic problems is first illustrated by means of a simple-damped-oscillator example. A detailed analysis is then given which leads to a recurrence matrix equation for the determination of the response of an airplane in a gust. The method takes into account wing bending and twisting deformations, fuselage deflection, vertical and pitching motion of the airplane, and some tail forces. The method is based on aerodynamic strip theory, but compressibility and three-dimensional aerodynamic effects can be taken into account approximately by means of over-all corrections. Either a sharp-edge gust or a gust of arbitrary shape in the spanwise or flight directions may be treated. In order to aid in the application of the method to any specific case, a suggested computational procedure is included. The possibilities of applying the method to a variety of transient aircraft problems, such as landing, are brought out. A brief review of matrix algebra, covering the extent to which it is used in the analysis, is also included. (author)

Houbolt, John C↗

DOE OSTI2020

High‐order cubature rules for tetrahedra

Summary In this paper, we construct new high‐order numerical integration schemes for tetrahedra, with positive weights and integration points that are in the interior of the domain. The construction of cubature rules is a challenging problem, which requires the solution of strongly nonlinear algebraic (moment) equations with side conditions given by affine inequality constraints. We present a robust algorithm based on a sequence of three modified Newton procedures to solve the constrained minimization problem. In the literature, numerical integration rules for the tetrahedron are available up to order p =15. We obtain integration rules for the tetrahedron from p =2 to p =20, which are computed using multiprecision arithmetic. For p ≤15, our approach provides integration rules that have the same or fewer number of integration points than existing rules; for p =16 to p =20, our rules are new. Numerical tests are presented that verify the polynomial‐precision of the cubature rules. Convergence studies are performed for the integration of exponential, rational, weakly singular and trigonometric test functions over tetrahedra with flat and curved faces. In all tests, improvements in accuracy is realized as p is increased, though in some cases nonmonotonic convergence is observed.

Jaśkowiec, Jan↗

DOE OSTI2023

Pileup and Infrared Radiation Annihilation (PIRANHA): a paradigm for continuous jet grooming

Jet grooming is an important strategy for analyzing relativistic particle collisions in the presence of contaminating radiation. Most jet grooming techniques introduce hard cutoffs to remove soft radiation, leading to discontinuous behavior and associated experimental and theoretical challenges. In this paper, we introduce Pileup and Infrared Radiation Annihilation (Piranha), a paradigm for continuous jet grooming that overcomes the discontinuity and infrared sensitivity of hard-cutoff grooming procedures. We motivate Piranha from the perspective of optimal transport and the Energy Mover’s Distance and review Apollonius Subtraction and Iterated Voronoi Subtraction as examples of Piranha-style grooming. We then introduce a new tree-based implementation of Piranha, Recursive Subtraction, with reduced computational costs. Finally, we demonstrate the performance of Recursive Subtraction in mitigating sensitivity to soft distortions from hadronization and detector effects, and additive contamination from pileup and the underlying event.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

A hybrid Monte Carlo, discontinuous Galerkin method for linear kinetic transport equations

Here we present a hybrid method for time-dependent particle transport problems that combines Monte Carlo (MC) estimation with deterministic solutions based on discrete ordinates. For spatial discretizations, the MC algorithm computes a piecewise constant solution and the discrete ordinates use bilinear discontinuous finite elements. From the hybridization of the problem, the resulting problem solved by Monte Carlo is scattering free, resulting in a simple, efficient solution procedure. Between time steps, we use a projection approach to “relabel” collided particles as uncollided particles. In conclusion, from a series of standard 2-D Cartesian test problems we observe that our hybrid method has improved accuracy and reduction in computational complexity of approximately an order of magnitude relative to standard discrete ordinates solutions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Improving best-phase image quality in cardiac CT by motion correction with MAM optimization

Purpose: Research in image reconstruction for cardiac CT aims at using motion correction algorithms to improve the image quality of the coronary arteries. The key to those algorithms is motion estimation, which is currently based on 3-D/3-D registration to align the structures of interest in images acquired in multiple heart phases. The need for an extended scan data range covering several heart phases is critical in terms of radiation dose to the patient and limits the clinical potential of the method. Furthermore, literature reports only slight quality improvements of the motion corrected images when compared to the most quiet phase (best-phase) that was actually used for motion estimation. In this paper a motion estimation algorithm is proposed which does not require an extended scan range but works with a short scan data interval, and which markedly improves the best-phase image quality. Methods: Motion estimation is based on the definition of motion artifact metrics (MAM) to quantify motion artifacts in a 3-D reconstructed image volume. The authors use two different MAMs, entropy, and positivity. By adjusting the motion field parameters, the MAM of the resulting motion-compensated reconstruction is optimized using a gradient descent procedure. In this way motion artifacts are minimized. For a fast and practical implementation, only analytical methods are used for motion estimation and compensation. Both the MAM-optimization and a 3-D/3-D registration-based motion estimation algorithm were investigated by means of a computer-simulated vessel with a cardiac motion profile. Image quality was evaluated using normalized cross-correlation (NCC) with the ground truth template and root-mean-square deviation (RMSD). Four coronary CT angiography patient cases were reconstructed to evaluate the clinical performance of the proposed method. Results: For the MAM-approach, the best-phase image quality could be improved for all investigated heart phases, with a maximum improvement of the NCC value by 100% and of the RMSD value by 81%. The corresponding maximum improvements for the registration-based approach were 20% and 40%. In phases with very rapid motion the registration-based algorithm obtained better image quality, while the image quality of the MAM algorithm was superior in phases with less motion. The image quality improvement of the MAM optimization was visually confirmed for the different clinical cases. Conclusions: The proposed method allows a software-based best-phase image quality improvement in coronary CT angiography. A short scan data interval at the target heart phase is sufficient, no additional scan data in other cardiac phases are required. The algorithm is therefore directly applicable to any standard cardiac CT acquisition protocol.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1983

Technical and investigative support for high density digital satellite recording systems

Recent results of dropout measurements and defect analysis conducted on one reel of Ampex 721 which was submitted for evaluation by the manufacturer are described. The results or status of other tape evaluation activities are also reviewed. Several changes in test interpretations and applications are recommended. In some cases, deficiencies in test methods or equipment became apparent during continued work on this project and other IITRI tape evaluation projects. Techniques and equipment for future tasks such as tape qualification are also recommended and discussed. Project effort and expenditures were kept at a relatively low level. This rate provided added development time and experience with the IITRI Dropout Measurement System, which is approaching its potential as a computer based dropout analysis tool. Another benefit is the expanded data base on critical parameters that can be achieved from tests on different tape types and lots as they become available. More consideration and effort was directed toward identification of critical parameters, development of meaningful repeatable test procedures, and tape procurement strategy.

Schultz, R. A.↗

NASA NTRS1992

An assessment of particle velocimetry potential in hypersonic flow

Future progress in the computation of hypersonic flow fields is restricted by the need for a reliable turbulence modeling data base which could be used for the development of empirical models for use in numerical codes. Currently, there are few compressible flow measurements which could be used for this purpose. Procedures for hot wire measurements in hypersonic flows are presently outlined, and assessments are made of the potential for hot wire and laser velocimeter measurements of turbulent fluctuations in hypersonic flow fields. The results of recent experiments conducted in two hypersonic wind tunnels will be presented and comparisons made with previous hot wire turbulence measurements.

Owen, F. K.↗

NASA NTRS1992

Correlation-based technique for automated tunable diode laser scan stabilization

A software-based method for real-time, active stabilization of tunable diode laser spectral scans is described. The procedure is suitable for use with field and laboratory instrumentation where automated, unattended spectrometer operation is required. An autocorrelation of two high-resolution reference gas infrared spectra is computed at regular intervals, and the location of the maximum value of the autocorrelation provides the relative abscissa shift between the spectra. Small adjustments to the laser scan parameters are thereby made to ensure that drifts in the laser output frequency are tracked and compensated. Calculations required for stabilization of a 512-point spectrum can be completed in under 25 ms using an inexpensive, moderate-speed, array processor installed in a PC.

May, Randy D.↗

NASA NTRS2011

Cartesian Off-Body Grid Adaption for Viscous Time- Accurate Flow Simulation

An improved solution adaption capability has been implemented in the OVERFLOW overset grid CFD code. Building on the Cartesian off-body approach inherent in OVERFLOW and the original adaptive refinement method developed by Meakin, the new scheme provides for automated creation of multiple levels of finer Cartesian grids. Refinement can be based on the undivided second-difference of the flow solution variables, or on a specific flow quantity such as vorticity. Coupled with load-balancing and an inmemory solution interpolation procedure, the adaption process provides very good performance for time-accurate simulations on parallel compute platforms. A method of using refined, thin body-fitted grids combined with adaption in the off-body grids is presented, which maximizes the part of the domain subject to adaption. Two- and three-dimensional examples are used to illustrate the effectiveness and performance of the adaption scheme.

Buning, Pieter G.↗

NASA NTRS2016

The Teaching of Anthropogenic Climate Change and Earth Science via Technology-Enabled Inquiry Education

A gap has existed between the tools and processes of scientists working on anthropogenic global climate change (AGCC) and the technologies and curricula available to educators teaching the subject through student inquiry. Designing realistic scientific inquiry into AGCC poses a challenge because research on it relies on complex computer models, globally distributed data sets, and complex laboratory and data collection procedures. Here we examine efforts by the scientific community and educational researchers to design new curricula and technology that close this gap and impart robust AGCC and Earth Science understanding. We find technology-based teaching shows promise in promoting robust AGCC understandings if associated curricula address mitigating factors such as time constraints in incorporating technology and the need to support teachers implementing AGCC and Earth Science inquiry. We recommend the scientific community continue to collaborate with educational researchers to focus on developing those inquiry technologies and curricula that use realistic scientific processes from AGCC research and/or the methods for determining how human society should respond to global change.

technology↗

NASA NTRS1994

Enhanced simulation software for rocket turbopump, turbulent, annular liquid seals

One of the main objectives of this work is to develop a new dynamic analysis for liquid annular seals with arbitrary profile and to analyze a general distorted interstage seal of the space shuttle main engine high pressure oxygen turbopump (SSME-ATD-HPOTP). The dynamic analysis developed is based on a method originally proposed by Nelson and Nguyen. A simpler scheme based on cubic splines is found to be computationally more efficient and has better convergence properties at higher eccentricities. The first order solution of the original analysis is modified by including a more exact solution that takes into account the variation of perturbed variables along the circumference. A new set of equations for dynamic analysis are derived based on this more general model. A unified solution procedure that is valid for both Moody's and Hirs' friction models is presented. Dynamic analysis is developed for three different models: constant properties, variable properties, and thermal effects with variable properties. Arbitrarily varying seal profiles in both axial and circumferential directions are considered. An example case of an elliptical seal with varying degrees of axial curvature is analyzed in detail. A case study based on predicted clearances of an interstage seal of the SSME-ATD-HPOTP is presented. Dynamic coefficients based on external specified load are introduced to analyze seals that support a preload. The other objective of this work is to study the effect of large rotor displacements of SSME-ATD-HPOTP on the dynamics of the annular seal and the resulting transient motion. One task is to identify the magnitude of motion of the rotor about the centered position and establish limits of effectiveness of using current linear models. This task is accomplished by solving the bulk flow model seal governing equations directly for transient seal forces for any given type of motion, including motion with large eccentricities. Based on the above study, an equivalence is established between linearized coefficients based transient motion and the same motion as predicted by the original governing equations. An innovative method is developed to model nonlinearities in an annular seal based on dynamic coefficients computed at various static eccentricities. This method is thoroughly tested for various types of transient motion using bulk flow model results as a benchmark.

Padavala, Satya↗

DOE OSTI2023

Optimization of the generator coordinate method with machine-learning techniques for nuclear spectra and neutrinoless double- β decay: Ridge regression for nuclei with axial deformation

The generator coordinate method (GCM) is an important tool of choice for modeling large-amplitude collective motion in atomic nuclei. The computational complexity of the GCM increases rapidly with the number of collective coordinates. It imposes a strong restriction on the applicability of the method. In this work, we propose a subspace-reduction algorithm that employs optimal statistical ML models as surrogates for exact quantum-number projection calculations for norm and Hamiltonian kernels. The model space of the original GCM is reduced to a subspace relevant for nuclear low energy spectra and the NME of ground state to ground state 0νββ decay based on the orthogonality condition (OC) and the energy-transition-orthogonality procedure (ENTROP), respectively. For simplicity, the polynomial ridge regression (RR) algorithm is used to learn the norm and Hamiltonian kernels of axially deformed configurations. The efficiency and accuracy of this algorithm are illustrated for 76 Ge and 76 Se by comparing results obtained using the optimal RR models to direct GCM calculations. The low-lying energy spectra of 76 Ge and 76 Se, as well as the 0νββ-decay NME between their ground states, are computed. Furthermore, the results show that the performance of the GCM+OC/ENTROP+RR is more robust than that of the GCM+RR alone, and the former can reproduce the results of the original GCM calculation accurately with a significantly reduced computational cost.

59 ≤ A ≤ 89↗

NASA NTRS1996

Application of Consider Covariance to the Extended Kalman Filter

The extended Kalman filter (EKF) is the basis for many applications of filtering theory to real-time problems where estimates of the state of a dynamical system are to be computed based upon some set of observations. The form of the EKF may vary somewhat from one application to another, but the fundamental principles are typically unchanged among these various applications. As is the case in many filtering applications, models of the dynamical system (differential equations describing the state variables) and models of the relationship between the observations and the state variables are created. These models typically employ a set of constants whose values are established my means of theory or experimental procedure. Since the estimates of the state are formed assuming that the models are perfect, any modeling errors will affect the accuracy of the computed estimates. Note that the modeling errors may be errors of commission (errors in terms included in the model) or omission (errors in terms excluded from the model). Consequently, it becomes imperative when evaluating the performance of real-time filters to evaluate the effect of modeling errors on the estimates of the state.

Lundberg, John B.↗

DOE OSTI2014

A numerical study of crack initiation in a bcc iron system based on dynamic bifurcation theory

Crack initiation under dynamic loading conditions is studied under the framework of dynamic bifurcation theory. An atomistic model for BCC iron is considered to explicitly take into account the detailed molecular interactions. To understand the strain-rate dependence of the crack initiation process, we first obtain the bifurcation diagram from a computational procedure using continuation methods. The stability transition associated with a crack initiation, as well as the connection to the bifurcation diagram, is studied by comparing direct numerical results to the dynamic bifurcation theory [R. Haberman, SIAM J. Appl. Math. 37, 69–106 (1979)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1985

Computer aided modelling/compensator design for a flexible space antenna

Controller design algorithms are developed to produce simultaneously both a model of the plant and a compensator. The size of the model and properties of the compensator are driven by the performance requirements, the disturbance environment, and the location, number and type of sensors and actuators. The procedure is based on linear optimal control theory for distributed systems, and balanced realization theory is used to guide the development of the model and reduce the order of the compensator.

Gibson, J. S.↗