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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Steady, Oscillatory and Unsteady, Subsonic and Supersonic Aerodynamics (SOUSSA) for complex aircraft configurations

The Green's function method and the computer program SOUSSA (Steady Oscillatory and Unsteady Subsonic and Supersonic Aerodynamics) are reviewed. The Green's function method is applied to the fully unsteady potential equation yielding an integro-differential-delay equation. This equation is approximated by a set of differential-delay equations in time using the finite element method. The Laplace transform is used to yield a matrix relating the velocity potential to the normal wash. The matrix of the generalized aerodynamic forces is obtained by premultiplying and postmultiplying the matrices relating generalized forces to the potential and the normal wash by the generalized coordinates. The program SOUSSA is compared with existing numerical results. Results indicate that the program is not only general, flexible, and easy to use, but also accurate and fast.

Morino, L.↗
NASA NTRS1977

Unsteady subsonic and supersonic potential aerodynamics for complex configurations

A recently developed general theory for unsteady compressible potential fluid dynamics for complex-configuration aircraft is reviewed. The method is based on a combination of the following techniques: Green's function method (to transform the differential equation into an integral differential-delay equation), finite element method (to transform the equation into a set of differential-delay equations in time), and the Laplace transform method (to transform the differential-delay equations into algebraic equations).

Morino, L.↗
NASA NTRS1990

Experimental and theoretical study of Rayleigh-Lamb waves in a plate containing a surface-breaking crack

Scattering of Rayleigh-Lamb waves by a normal surface-breaking crack in a plate has been studied both theoretically and experimentally. The two-dimensionality of the far field, generated by a ball impact source, is exploited to characterize the source function using a direct integration technique. The scattering of waves generated by this impact source by the crack is subsequently solved by employing a Green's function integral expression for the scattered field coupled with a finite element representation of the near field. It is shown that theoretical results of plate response, both in frequency and time, are similar to those obtained experimentally. Additionally, implication for practical applications are discussed.

Paffenholz, Joseph↗
DOE OSTI2015

MO-D-213-01: Workflow Monitoring for a High Volume Radiation Oncology Center

Purpose: Implement a center wide communication system that increases interdepartmental transparency and accountability while decreasing redundant work and treatment delays by actively monitoring treatment planning workflow. Methods: Intake Management System (IMS), a program developed by ProCure Treatment Centers Inc., is a multi-function database that stores treatment planning process information. It was devised to work with the oncology information system (Mosaiq) to streamline interdepartmental workflow.Each step in the treatment planning process is visually represented and timelines for completion of individual tasks are established within the software. The currently active step of each patient’s planning process is highlighted either red or green according to whether the initially allocated amount of time has passed for the given process. This information is displayed as a Treatment Planning Process Monitor (TPPM), which is shown on screens in the relevant departments throughout the center. This display also includes the individuals who are responsible for each task.IMS is driven by Mosaiq’s quality checklist (QCL) functionality. Each step in the workflow is initiated by a Mosaiq user sending the responsible party a QCL assignment. IMS is connected to Mosaiq and the sending or completing of a QCL updates the associated field in the TPPM to the appropriate status. Results: Approximately one patient a week is identified during the workflow process as needing to have his/her treatment start date modified or resources re-allocated to address the most urgent cases. Being able to identify a realistic timeline for planning each patient and having multiple departments communicate their limitations and time constraints allows for quality plans to be developed and implemented without overburdening any one department. Conclusion: Monitoring the progression of the treatment planning process has increased transparency between departments, which enables efficient communication. Having built-in timelines allows easy prioritization of tasks and resources and facilitates effective time management.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Enhancement of thermoelectric performance in InAs nanotubes by tuning quantum confinement effect

By using the nonequilibrium Green's function method, we study the thermoelectric properties of InAs nanotubes. The results show that InAs nanotube with a certain internal diameter has much higher ZT value than nanowire due to the enhancement of quantum confinement effect leading to the increase of the power factor S{sup 2}G. The ZT value of InAs nanotube can reach 1.74, which is about three times greater than that of nanowires. Moreover, it is found that the ZT values of InAs nanotubes decrease rapidly with the increase of internal diameter, which results from the rapid increase of phonons thermal conductance due to the “red shift” of low-frequency optical phonon modes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Green’s function coupled cluster simulation of the near-valence ionizations of DNA-fragments

Accurate description of the ionization process in DNA is crucial to the understanding of the DNA damage under exposure to ionizing radiation and the exploration of the potential application of DNA strands in nanoelectronics. In this work, by employing our recently developed Green’s function coupled-cluster library on supercomputing facilities, we have studied the spectral functions of several guanine–cytosine (G–C) base pair structures ([G–C]n, n = 1–3) for the first time in a relatively broad near-valence regime ([−25.0, −5.0] eV) in the coupled-cluster with singles and doubles level. Our focus is to give a preliminary many-body coupled-cluster understanding and guideline of the vertical ionization energy (VIE), spectral profile, and ionization feature changes of these systems as the system size expands in this near-valence regime. The results show that, as the system size expands, even though the lowest VIEs keep decreasing, the changes of spectral function profile and the relative peak positions get unexpectedly smaller. Further analysis of the ionized states associated with the most intensive peak in the spectral functions reveals non-negligible |2h, 1p⟩’s in the ionized wave functions of the considered G–C base pair systems. The leading |2h, 1p⟩’s associated with the main ionizations from the cytosine part of the G–C base pairs feature a transition from the intra-base-pair cytosine π → π* excitation to the inter-base-pair electron excitation as the size of G–C base pairs expands, which also indicates the minimum quantum region in the many-body calculations of DNA systems.

Peng, Bo (ORCID:0000000242267294)↗
DOE OSTI2024

Roadmap on methods and software for electronic structure based simulations in chemistry and materials

This Roadmap article provides a succinct, comprehensive overview of the state of electronic structure methods and software for molecular and materials simulations. Seventeen distinct sections collect insights by 51 leading scientists in the field. Each contribution addresses the status of a particular area, as well as current challenges and anticipated future advances, with a particular eye towards software related aspects and providing key references for further reading. Foundational sections cover density functional theory and its implementation in real-world simulation frameworks, Green's function based many-body perturbation theory, wave-function based and stochastic electronic structure approaches, relativistic effects and semiempirical electronic structure theory approaches. Subsequent sections cover nuclear quantum effects, real-time propagation of the electronic structure, challenges for computational spectroscopy simulations, and exploration of complex potential energy surfaces. The final sections summarize practical aspects, including computational workflows for complex simulation tasks, the impact of current and future high-performance computing architectures, software engineering practices, education and training to maintain and broaden the community, as well as the status of and needs for electronic structure based modeling from the vantage point of industry environments. Overall, the field of electronic structure software and method development continues to unlock immense opportunities for future scientific discovery, based on the growing ability of computations to reveal complex phenomena, processes and properties that are determined by the make-up of matter at the atomic scale, with high precision.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Reverberation mapping of the broad line region: application to a hydrodynamical line-driven disk wind solution

The latest analysis efforts in reverberation mapping are beginning to allow reconstruction of echo images (or velocity-delay maps) that encode information about the structure and kinematics of the broad line region (BLR) in active galactic nuclei (AGNs). Such maps can constrain sophisticated physical models for the BLR. The physical picture of the BLR is often theorized to be a photoionized wind launched from the AGN accretion disk. Previously we showed that the line-driven disk wind solution found in an earlier simulation by Proga and Kallman is virialized over a large distance from the disk. This finding implies that, according to this model, black hole masses can be reliably estimated through reverberation mapping techniques. However, predictions of echo images expected from line-driven disk winds are not available. Here, after presenting the necessary radiative transfer methodology, we carry out the first calculations of such predictions. We find that the echo images are quite similar to other virialized BLR models such as randomly orbiting clouds and thin Keplerian disks. We conduct a parameter survey exploring how echo images, line profiles, and transfer functions depend on both the inclination angle and the line opacity. We find that the line profiles are almost always single peaked, while transfer functions tend to have tails extending to large time delays. The outflow, despite being primarily equatorially directed, causes an appreciable blueshifted excess on both the echo image and line profile when seen from lower inclinations (i≲45{sup ∘}). This effect may be observable in low ionization lines such as Hβ.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

The bispectrum of matter perturbations from cosmic strings

We present the first calculation of the bispectrum of the matter perturbations induced by cosmic strings. The calculation is performed in two different ways: the first uses the unequal time correlators (UETCs) of the string network - computed using a Gaussian model previously employed for cosmic string power spectra. The second approach uses the wake model, where string density perturbations are concentrated in sheet-like structures whose surface density grows with time. The qualitative and quantitative agreement of the two gives confidence to the results. An essential ingredient in the UETC approach is the inclusion of compensation factors in the integration with the Green's function of the matter and radiation fluids, and we show that these compensation factors must be included in the wake model also. We also present a comparison of the UETCs computed in the Gaussian model, and those computed in the unconnected segment model (USM) used by the standard cosmic string perturbation package CMBACT. We compare numerical estimates for the bispectrum of cosmic strings to those produced by perturbations from an inflationary era, and discover that, despite the intrinsically non-Gaussian nature of string-induced perturbations, the matter bispectrum is unlikely to produce competitive constraints on a population of cosmic strings.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Time Domain Moment Tensor Inversion in Python

MTtime is a software tool developed for time domain inversion of complete seismic waveform data to obtain the seismic moment tensor. It supports both deviatoric and full moment tensor inversions as well as 1-D and 3-D basis Green's functions.

Chiang, Andrea↗
NASA NTRS1995

Two-Flux and Green's Function Method for Transient Radiative Transfer in a Semi-Transparent Layer

A method using a Green's function is developed for computing transient temperatures in a semitransparent layer by using the two-flux method coupled with the transient energy equation. Each boundary of the layer is exposed to a hot or cold radiative environment, and is heated or cooled by convection. The layer refractive index is larger than one, and the effect of internal reflections is included with the boundaries assumed diffuse. The analysis accounts for internal emission, absorption, heat conduction, and isotropic scattering. Spectrally dependent radiative properties are included, and transient results are given to illustrate two-band spectral behavior with optically thin and thick bands. Transient results using the present Green's function method are verified for a gray layer by comparison with a finite difference solution of the exact radiative transfer equations; excellent agreement is obtained. The present method requires only moderate computing times and incorporates isotropic scattering without additional complexity. Typical temperature distributions are given to illustrate application of the method by examining the effect of strong radiative heating on one side of a layer with convective cooling on the other side, and the interaction of strong convective heating with radiative cooling from the layer interior.

Siegel, Robert↗
NASA NTRS2005

Verification and Validation: High Charge and Energy (HZE) Transport Codes and Future Development

In the present paper, we give the formalism for further developing a fully three-dimensional HZETRN code using marching procedures but also development of a new Green's function code is discussed. The final Green's function code is capable of not only validation in the space environment but also in ground based laboratories with directed beams of ions of specific energy and characterized with detailed diagnostic particle spectrometer devices. Special emphasis is given to verification of the computational procedures and validation of the resultant computational model using laboratory and spaceflight measurements. Due to historical requirements, two parallel development paths for computational model implementation using marching procedures and Green s function techniques are followed. A new version of the HZETRN code capable of simulating HZE ions with either laboratory or space boundary conditions is under development. Validation of computational models at this time is particularly important for President Bush s Initiative to develop infrastructure for human exploration with first target demonstration of the Crew Exploration Vehicle (CEV) in low Earth orbit in 2008.

Wilson, John W.↗
NASA NTRS1972

Signal processing in a randomly time varying system.

Stochastic operators are applied to an analysis of some deterministic systems of signal transformation. The distribution of a random process at the output of a system is given through its distribution at the input and through a stochastic Green's function. A two-point correlation function is derived to obtain a solution to differential equations which contain coefficients, boundary conditions, or right-hand terms representing random processes.

Adomian, G.↗
DOE OSTI2017

Limitations of the clump-correlation theories of shear-induced turbulence suppression

The clump theory, primarily constructed by Dupree [Phys. Fluids 15, 334 (1972)] based on the moment approach and then generalized to the correlation theory [Y. Z. Zhang and S. M. Mahajan, Phys. Fluids B 5, 2000 (1993)], has long served as a basis for constructing theories of turbulence suppression by shear flow. In order to reveal the “intrinsic approximation” invoked in the clump-correlation theory, we examine a model based on two dimensional magnetized drift waves. After a rigorous derivation of the exact response function—a key to average the Green function of the system—we show that the Dupree, Zhang-Mahajan approach is recovered as the lowest order approximation in a small dimensionless parameter $Υ$ which is a triple product of the correlation time, wave number, and fluctuating drift velocity. The clump-correlation theory, thus, constitutes the Gaussian and lowest order non-Markovian process for a homogeneous stationary turbulence. Lastly we also provide, especially for the tokamak community, a readily usable formula to evaluate the effectiveness of shear-flow suppression; this formula pertains regardless of the specific model of correlation time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Improved Earthquake Source Parameters with 3D Wavespeed Models in California and Nevada

Seismic tomography harnesses earthquake data to explore the inaccessible structure of the Earth. Adjoint waveform tomography (AWT), a method of seismic tomography, updates the tomographic model by optimizing the fit between observed earthquake data and synthetic waveforms. The synthetic data are calculated by solving the wave equation through a given 3D model. An important requirement to calculating synthetics is the source information (location, centroid time, depth, and moment tensor). Errors in source information affect the quality of the synthetics produced, which in turn can limit how structure can be inferred in the AWT workflow. Here, to test the effect of updating source information, we used MTTime (Chiang, 2020), a time-domain full-waveform moment tensor inversion code, to calculate the moment tensors and depths of 118 earthquakes that occurred in California and Nevada over a 20-yr period. We calculated 3D Green’s functions using a 3D seismic wavespeed model of California and Nevada (Doody et al., 2023b). We show that the inverted solutions provide better waveform fits than the Global Centroid Moment Tensor catalog and increase usable, well-correlated data by up to 7%. Therefore, we argue that recalculating source parameters should be considered in AWT workflows, particularly for smaller magnitude events (⁠M w > 5.0).

58 GEOSCIENCES↗
NASA NTRS1975

The generation of gravitational waves. I - Weak-field sources

This paper derives and summarizes a 'plug-in-and-grind' formalism for calculating the gravitational waves emitted by any system with weak internal gravitational fields. If the internal fields have negligible influence on the system's motions, the formalism reduces to standard 'linearized theory'. Independent of the effects of gravity on the motions, the formalism reduces to the standard 'quadrupole-moment formalism' if the motions are slow and internal stresses are weak. In the general case, the formalism expresses the radiation in terms of a retarded Green's function for slightly curved spacetime and breaks the Green's function integral into five easily understood pieces: direct radiation, produced directly by the motions of the source; whump radiation, produced by the 'gravitational stresses' of the source; transition radiation, produced by a time-changing time delay ('Shapiro effect') in the propagation of the nonradiative 1/r field of the source; focusing radiation, produced when one portion of the source focuses, in a time-dependent way, the nonradiative field of another portion of the source; and tail radiation, produced by 'back-scatter' of the nonradiative field in regions of focusing.

Thorne, K. S.↗
NASA NTRS2011

Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 are candidate materials for applications in extreme environments because of their high melting point, good mechanical properties and reasonable oxidation resistance. Unlike many ceramics, these materials have high thermal conductivity which can be advantageous, for example, to reduce thermal shock. Recently, we developed Tersoff style interatomic potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current. Results at room temperature and at elevated temperatures will be reported.

Lawson, JOhn W.↗