Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “spectral expansion”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Heterovalent Substitution of K 2 SrP 2 O 7 :Cr 3+ to Achieve Anti-Thermal-Quenching Broadband Near-Infrared Luminescence

Broadband near-infrared (NIR) light sources based on phosphor-converted light-emitting diodes are highly desirable for biochemical analysis and medical diagnosis applications. However, thermal quenching remains a demanding challenge for developing efficient NIR phosphors. Herein, we report the enhancement of both quantum efficiency and thermal stability in Cr 3+ -activated K 2 SrP 2 O 7 phosphors through a heterovalent substitution strategy by replacing Sr 2+ with Al 3+ in K 2 Sr 1–x Al x P 2 O 7 (0.05 ≤ x ≤ 0.2) to obtain optimized broadband NIR emission. Structural modulation via Al 3+ substitution leads to the optimized composition, K 2 Sr 0.88 Al 0.1 P 2 O 7 :0.02Cr 3+ , which emits across a broad NIR range of 650–1100 nm peaking at 807 nm with a full width at half-maximum of ∼130 nm under 448 nm excitation. Remarkably, its emission intensity at 150 °C remains 120% of the initial value at room temperature, demonstrating a rare antithermal-quenching behavior. Temperature-dependent XRD studies further reveal that Al 3+ substitution effectively suppresses lattice expansion at elevated temperatures, indicating enhanced lattice stability under thermal excitation. Detailed structural and spectral analyses show that the substitution enhances local site symmetry, reduces electron–phonon coupling, increases thermally induced absorption probability, and fortifies energetic barriers against nonradiative transitions. These synergistic effects collectively endow this NIR phosphor with a superior thermal stability. Furthermore, NIR light-emitting diodes fabricated with this phosphor exhibit strong potential for applications in information identification, nondestructive detection, and night vision technologies. This study demonstrates a local structure engineering strategy for designing thermally robust Cr 3+ -activated NIR phosphors, offering valuable insights into material discovery and NIR spectroscopy device development.

Cr3+↗
NASA NTRS1994

Optimization of two dimensional gratings for very long wavelength quantum well infrared photodetectors

We have performed a detailed study of two-dimensional grating coupling for quantum well infrared photodetectors in the very long wavelength spectral region lambda is approximately 16 - 17 microns. Using calculations based on the modal expansion method we quantitatively explain the double peaked responsivity spectrum. By optimizing the grating parameters we achieve a normal incidence responsivity and detectivity which are three times larger than the 45 deg angle of incidence geometry.

Sarusi, G.↗
NASA NTRS1994

Spectral Methods for Computational Fluid Dynamics

As a tool for large-scale computations in fluid dynamics, spectral methods were prophesized in 1944, born in 1954, virtually buried in the mid-1960's, resurrected in 1969, evangalized in the 1970's, and catholicized in the 1980's. The use of spectral methods for meteorological problems was proposed by Blinova in 1944 and the first numerical computations were conducted by Silberman (1954). By the early 1960's computers had achieved sufficient power to permit calculations with hundreds of degrees of freedom. For problems of this size the traditional way of computing the nonlinear terms in spectral methods was expensive compared with finite-difference methods. Consequently, spectral methods fell out of favor. The expense of computing nonlinear terms remained a severe drawback until Orszag (1969) and Eliasen, Machenauer, and Rasmussen (1970) developed the transform methods that still form the backbone of many large-scale spectral computations. The original proselytes of spectral methods were meteorologists involved in global weather modeling and fluid dynamicists investigating isotropic turbulence. The converts who were inspired by the successes of these pioneers remained, for the most part, confined to these and closely related fields throughout the 1970's. During that decade spectral methods appeared to be well-suited only for problems governed by ordinary diSerential eqllations or by partial differential equations with periodic boundary conditions. And, of course, the solution itself needed to be smooth. Some of the obstacles to wider application of spectral methods were: (1) poor resolution of discontinuous solutions; (2) inefficient implementation of implicit methods; and (3) drastic geometric constraints. All of these barriers have undergone some erosion during the 1980's, particularly the latter two. As a result, the applicability and appeal of spectral methods for computational fluid dynamics has broadened considerably. The motivation for the use of spectral methods in numerical calculations stems from the attractive approximation properties of orthogonal polynomial expansions.

Zang, T. A.↗
NASA NTRS1973

Transient analysis of phase-locked tracking systems in the presence of noise.

This paper is concerned with the problem of obtaining time-dependent solutions to a class of Fokker-Planck equations that arise in the analysis and synthesis of a variety of first-order synchronization systems employing the phase-lock principle. These include the classical sinusoidal phase-locked loop, squaring and Costas loops, data-aided loops, hybrid loops, various symbol synchronizer mechanizations, and tunnel-diode oscillators. By analyzing the spectral properties of the associated time-dependent Fokker-Planck boundary value problem, eigenfunction expansions of the reduced modulo-2-pi phase-error-transition probability-density function are developed for a class of first-order synchronization systems.

La Frieda, J. R.↗
NASA NTRS1999

Spin Down of Pulsations in the Cooling Tail of an X-ray Burst from 4U 1636-53

We report the discovery with the proportional counter array (PCA) onboard the Rossi X-ray Timing Explorer (RXTE) of a decrease in the frequency of X-ray brightness oscillations in the cooling tail of an X-ray burst from 4U 1636-53. This is the first direct evidence for a spin down of the pulsations seen during thermonuclear bursts. We find that the spin down episode is correlated with the appearance in this burst of an extended tail of emission with a decay timescale much longer than is seen in other bursts from 4U 1636-53 in the same set of observations. We present both time resolved energy and variability spectra during this burst and compare them with results from a second burst which shows neither a spin down episode nor an extended tail. A spectral evolution study of the "spin down" burst reveals a secondary signature of weak radius expansion, not seen in other bursts, and correlated with the spin down episode, which may indicate a secondary thermonuclear energy release. We interpret the spin down episode in the context of an angular momentum conserving shell, which is reexpanded and therefore spun down by an additional thermonuclear energy release which could also explain the extended X-ray tail.

Strohmayer, Tod E.↗
DOE OSTI2021

Crystal mechanics-based thermo-elastic constitutive modeling of orthorhombic uranium using generalized spherical harmonics and first-order bounding theories

In earlier works, a mathematical procedure for invertible microstructure-property linkages was developed using computationally efficient spectral methods for polycrystalline cubic and hexagonal metals. This paper formulates such invertible microstructure–property linkages for orthorhombic polycrystalline metals relying on the generalized spherical harmonics (GSH) spectral basis. The procedure is used to compute property closures of orthorhombic polycrystals. The closures represent the complete set of theoretically possible combinations of effective properties for a selected material. The procedure relies on the first-order bounding theories and considers orientation distribution functions (ODFs) as the main microstructural descriptor influencing homogenized properties. Numerous examples of these closures involving second-rank thermal expansion and fourth-rank elastic stiffness tensorial properties over a broad range of temperatures are presented for α-uranium (α-U). In doing so, certain key properties of these closures are exploited to facilitate their computation with drastically reduced computational effort. Along with the recently developed GSH-based interpolation procedure for ODFs from coarsely spaced experimental measurement grids to finely spaced finite element mesh resolution grids presented in Barrett et al., the developed computationally efficient ODF-effective property linkages are used to establish a crystal mechanics-based simulation framework coupled with the finite element method (FEM). The ODF dependent thermal expansion and elastic stiffness tensors are efficiently calculated at every integration point and used by the FEM to predict the overall distortion of a hemispherical part made of α-U during heating. In conclusion, it is shown that the developed framework can be used to simulate microstructurally heterogeneous components under thermo-mechanical loadings in a computationally efficient manner.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Natural Products Magnetic Resonance Database (NP-MRD) for 2025

The Natural Products Magnetic Resonance Database or NP-MRD (https://np-mrd.org) is a comprehensive, freely accessible, web-based resource for the deposition, distribution, extraction and retrieval of nuclear magnetic resonance (NMR) data on natural products. The NP-MRD was initially established to support compound de-replication and data dissemination for the natural products community. However, that community has now grown to include many users from the metabolomics, microbiomics, foodomics and nutrition science fields. Indeed, since its launch in 2021, the NP-MRD has expanded enormously in size, scope and popularity. The current version of NP-MRD now contains nearly 7X more compounds (281,859 vs. 40,908) and 7X more NMR spectra (5.1 million vs. 817,000) than the first release. More specifically, an additional 4.6 million predicted spectra and another 11,000 spectra simulated from experimental chemical shifts were deposited into the database. Likewise, the number of NMR raw spectral data depositions has grown from a 165 spectra per year to more than 10,000 per year. As a result of this expansion, the number of monthly webpage views has grown from 55 to 20,000 and the number of monthly visitors has increased from 7 to 2500. To address this growth and to better support the expanding needs of its diverse community of users, many additional improvements to the NP-MRD have been made. These include significant enhancements to the data submission process, important improvements to the visualization and display of NMR spectra, notable updates to the database’s spectral search utilities and useful additions to support better NMR spectral analysis/prediction. Significant efforts have also been undertaken to remediate and update many of NP-MRD’s database entries. This manuscript describes these database improvements and expansion efforts, along with how they have been implemented and what future upgrades to the NP-MRD are planned.

Artifical Intelligence↗
NASA NTRS1991

Descriptions of the neutral gas outflow in Comets P/Halley and Wilson (1987 VII) from analyses of velocity-resolved H2O line profiles

The spatial distribution and expansion velocity of the Comets Wilson (1987 VII) and pre- and postperihelion P/Halley are derived on the bases of velocity-resolved H2O spectral line profiles, using a kinematic model which synthesizes line profiles for comparison with observed line shapes. The results thus obtained demonstrate that the spherically symmetric outflow at constant velocity is a poor characterization of cometary neutral-gas outflow. While the radial dependence of the H2O expansion velocity is noted to be consistent with theoretically envisioned trends, the high H2O outflow velocity observed in Comet Wilson resists reconciliation with any existing kinematic model.

Larson, Harold P.↗
NASA NTRS1993

The early ultraviolet spectral evolution of Nova Cygni 1992

We report on the high resolution ultraviolet line profile evolution of Nova Cygni 1992 using the International Ultraviolet Explorer (IUE) satellite and the Goddard High Resolution Spectrograph (GHRS) on the Hubble Space Telescope (HST). Our observations cover the period from discovery in 1992 February through 1993 April. The initial expansion velocity, derived from P Cyg profiles on Mg II and other resonance lines, was about 4500 km/s. All resonance transitions displayed P Cyg profiles around the time of UV maximum. We first discuss the spectral development as the initially optically thick atomic absorption curtain became optically thin. We then present the interpretation of the nebular spectral stage. The high resolution line profiles show that the shell rapidly developed nearly symmetric knots, or filaments, of emission. The optically thin transitions show an emission weighted expansion velocity of about 1800 km/s, consistent with the velocity inferred from the radio and infrared data. The emission lines display a symmetric set of filaments that appeared as soon as the line profiles became optically thin. The GHRS observations demonstrate that the filaments were located in the inner, slower moving parts of the ejecta. These probably record an initial low wave number instability imposed on the ejecta at the time of outburst. We suggest that the likely cause is a Rayleigh-Taylor instability. The emission at later stages is dominated by the filaments and, since this phenomenon is seen in virtually all novae, nebular line formation codes will have to account for the density inhomgeneities in order to adequately determine abundances for nove ejecta.

Shore, Steven N.↗
NASA NTRS2014

Mapping Urban Expansion Across North America Using Multi-Temporal Landsat and Nighttime Lights Data

Urban expansion and the associated changes in land cover have important climatic, hydrologic, biophysical and ecologic and socio-economic impacts on the environment. Yet, despite todays abundance of remote sensing data, an automated characterization of large-scale historical changes in urban spatial extent remains a challenge due to the inherent complexity and variability of the urban environment, the lack of a spectral signature unique to urban land cover, and the absence of an unambiguous definition of what is urban versus non-urban.Here we present a consistent, robust, scalable, physically- based methodology for characterization of urban expansion using Landsat observations. We use atmospherically corrected Landsat Global Land Survey time series, Web-enabled Landsat data time series, DMSP-OLS and NPP-VIIRS nighttime lights, for mapping the built-up and vegetated components of urban settlements at 30m resolution through multi- temporal standardized spectral mixture analysis. The methodology is tested and validated over the North American continent where it provides a first quantification of urban expansion and vegetation abundance changes from 1990 to 2010.

Milesi, Cristina↗
DOE OSTI2020

A line-binned treatment of opacities for the spectra and light curves from neutron star mergers

ABSTRACT The electromagnetic observations of GW170817 were able to dramatically increase our understanding of neutron star mergers beyond what we learned from gravitational waves alone. These observations provided insight on all aspects of the merger from the nature of the gamma-ray burst to the characteristics of the ejected material. The ejecta of neutron star mergers are expected to produce such electromagnetic transients, called kilonovae or macronovae. Characteristics of the ejecta include large velocity gradients, relative to supernovae, and the presence of heavy r-process elements, which pose significant challenges to the accurate calculation of radiative opacities and radiation transport. For example, these opacities include a dense forest of bound–bound features arising from near-neutral lanthanide and actinide elements. Here we investigate the use of fine-structure, line-binned opacities that preserve the integral of the opacity over frequency. Advantages of this area-preserving approach over the traditional expansion–opacity formalism include the ability to pre-calculate opacity tables that are independent of the type of hydrodynamic expansion and thus eliminate the computational expense of calculating opacities within radiation-transport simulations. Tabular opacities are generated for all 14 lanthanides as well as a representative actinide element, uranium. We demonstrate that spectral simulations produced with the line-binned opacities agree well with results produced with the more accurate continuous Monte Carlo Sobolev approach, as well as with the commonly used expansion–opacity formalism. The agreement between the line-binned and expansion–opacity results is explained as arising from the similarity in their opacities in the limit of low optical depth, where radiation transport is important in the ejecta. Additional investigations illustrate the convergence of opacity with respect to the number of included lines, and elucidate sensitivities to different atomic physics approximations, such as fully and semirelativistic approaches.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Real-space density kernel method for Kohn–Sham density functional theory calculations at high temperature

Kohn–Sham density functional theory calculations using conventional diagonalization based methods become increasingly expensive as temperature increases due to the need to compute increasing numbers of partially occupied states. In this work, we present a density matrix based method for Kohn–Sham calculations at high temperatures that eliminates the need for diagonalization entirely, thus reducing the cost of such calculations significantly. Specifically, we develop real-space expressions for the electron density, electronic free energy, Hellmann–Feynman forces, and Hellmann–Feynman stress tensor in terms of an orthonormal auxiliary orbital basis and its density kernel transform, the density kernel being the matrix representation of the density operator in the auxiliary basis. Using Chebyshev filtering to generate the auxiliary basis, we next develop an approach akin to Clenshaw–Curtis spectral quadrature to calculate the individual columns of the density kernel based on the Fermi operator expansion in Chebyshev polynomials and employ a similar approach to evaluate band structure and entropic energy components. We implement the proposed formulation in the SPARC electronic structure code, using which we show systematic convergence of the aforementioned quantities to exact diagonalization results, and obtain significant speedups relative to conventional diagonalization based methods. Finally, we employ the new method to compute the self-diffusion coefficient and viscosity of aluminum at 116 045 K from Kohn–Sham quantum molecular dynamics, where we find agreement with previous more approximate orbital-free density functional methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

High-resolution CH stretch spectroscopy of jet-cooled cyclopentyl radical: First insights into equilibrium structure, out-of-plane puckering, and IVR dynamics

First, high-resolution sub-Doppler infrared spectroscopic results for cyclopentyl radical (C 5 H 9 ) are reported on the α-CH stretch fundamental with suppression of spectral congestion achieved by adiabatic cooling to T rot ≈ 19(4) K in a slit jet expansion. Surprisingly, cyclopentyl radical exhibits a rotationally assignable infrared spectrum, despite 3N – 6 = 36 vibrational modes and an upper vibrational state density (ρ ≈ 40–90 #/cm –1 ) in the critical regime (ρ ≈ 100 #/cm –1 ) necessary for onset of intramolecular vibrational relaxation (IVR) dynamics. Such high-resolution data for cyclopentyl radical permit detailed fits to a rigid-rotor asymmetric top Hamiltonian, initial structural information for ground and vibrationally excited states, and opportunities for detailed comparison with theoretical predictions. Specifically, high level ab initio calculations at the coupled-cluster singles, doubles, and perturbative triples (CCSD(T))/ANO0, 1 level are used to calculate an out-of-plane bending potential, which reveals a C 2 symmetry double minimum 1D energy surface over a C 2v transition state. Here, the inversion barrier [V barrier ≈ 3.7(1) kcal/mol] is much larger than the effective moment of inertia for out-of-plane bending, resulting in localization of the cyclopentyl wavefunction near its C 2 symmetry equilibrium geometry and tunneling splittings for the ground state too small (<1 MHz) to be resolved under sub-Doppler slit jet conditions. The persistence of fully resolved high-resolution infrared spectroscopy for such large cyclic polyatomic radicals at high vibrational state densities suggests a “deceleration” of IVR for a cycloalkane ring topology, much as low frequency torsion/methyl rotation degrees of freedom have demonstrated a corresponding “acceleration” of IVR processes in linear hydrocarbons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

CW dye laser technique for simultaneous, spatially-resolved measurements of temperature, pressure, and velocity of NO in an underexpanded free jet

Gas dynamic quantities within an underexpanded free jet were measured nonintrusively using a rapid-tuning, CW ring dye laser. A nitrogen jet was seeded with 0.5 percent NO in N2, and the conditions were controlled such that a barrel shock formed. The frequency-doubled output of the dye laser was used to spectrally resolve rotational lines in the NO gamma band near 225 nm. With the rapid-tuning capability, these rotational spectra were acquired at a repetition rate of 4 kHz. Spatial resolution was afforded by monitoring the induced fluorescence via a lens and photomultiplier tube. Modeling the spectrally-resolved features with Voigt profiles permitted simultaneous measurements of NO velocity, rotational temperature, and pressure. Expansion of the jet was assumed to be isentropic, and agreement between measured and expected values was typically better than 10 percent over most of the Mach-number range encountered. At high Mach numbers, the measured rotational temperatures systematically departed from the isentropic temperature distribution. Such a measured departure could be ascribed to the onset of a non-Boltzmann distribution of NO rotational states.

Di Rosa, M. D.↗
NASA NTRS1985

Remote sensing of wetland parameters related to carbon cycling

Measurement of the rates of important biogeochemical fluxes on regional or global scales is vital to understanding the geochemical and climatic consequences of natural biospheric processes and of human intervention in those processes. Remote data gathering and interpretation techniques were used to examine important cycling processes taking place in wetlands over large geographic expanses. Large area estimation of vegetative biomass and productivity depends upon accurate, consistent measurements of canopy spectral reflectance and upon wide applicability of algorithms relating reflectance to biometric parameters. Results of the use of airborne multispectral scanner data to map above-ground biomass in a Delaware salt marsh are shown. The mapping uses an effective algorithm linking biomass to measured spectral reflectance and a means to correct the scanner data for large variations in the angle of observation of the canopy. The consistency of radiometric biomass algorithms for marsh grass when they are applied over large latitudinal and tidal range gradients were also examined. Results of a 1 year study of methane emissions from tidal wetlands along a salinity gradient show marked effects of temperature, season, and pore-water chemistry in mediating flux to the atmosphere.

Bartlett, David S.↗
NASA NTRS2000

A New Method for Accurate Treatment of Flow Equations in Cylindrical Coordinates Using Series Expansions

The motivation of this work is the ongoing effort at the Center for Turbulence Research (CTR) to use large eddy simulation (LES) techniques to calculate the noise radiated by jet engines. The focus on engine exhaust noise reduction is motivated by the fact that a significant reduction has been achieved over the last decade on the other main sources of acoustic emissions of jet engines, such as the fan and turbomachinery noise, which gives increased priority to jet noise. To be able to propose methods to reduce the jet noise based on results of numerical simulations, one first has to be able to accurately predict the spatio-temporal distribution of the noise sources in the jet. Though a great deal of understanding of the fundamental turbulence mechanisms in high-speed jets was obtained from direct numerical simulations (DNS) at low Reynolds numbers, LES seems to be the only realistic available tool to obtain the necessary near-field information that is required to estimate the acoustic radiation of the turbulent compressible engine exhaust jets. The quality of jet-noise predictions is determined by the accuracy of the numerical method that has to capture the wide range of pressure fluctuations associated with the turbulence in the jet and with the resulting radiated noise, and by the boundary condition treatment and the quality of the mesh. Higher Reynolds numbers and coarser grids put in turn a higher burden on the robustness and accuracy of the numerical method used in this kind of jet LES simulations. As these calculations are often done in cylindrical coordinates, one of the most important requirements for the numerical method is to provide a flow solution that is not contaminated by numerical artifacts. The coordinate singularity is known to be a source of such artifacts. In the present work we use 6th order Pade schemes in the non-periodic directions to discretize the full compressible flow equations. It turns out that the quality of jet-noise predictions using these schemes is especially sensitive to the type of equation treatment at the singularity axis. The objective of this work is to develop a generally applicable numerical method for treating the singularities present at the polar axis, which is particularly suitable for highly accurate finite-differences schemes (e.g., Pade schemes) on non-staggered grids. The main idea is to reinterpret the regularity conditions developed in the context of pseudo-spectral methods. A set of exact equations at the singularity axis is derived using the appropriate series expansions for the variables in the original set of equations. The present treatment of the equations preserves the same level of accuracy as for the interior scheme. We also want to point out the wider utility of the method, proposed here in the context of compressible flow equations, as its extension for incompressible flows or for any other set of equations that are solved on a non-staggered mesh in cylindrical coordinates with finite-differences schemes of various level of accuracy is straightforward. The robustness and accuracy of the proposed technique is assessed by comparing results from simulations of laminar forced-jets and turbulent compressible jets using LES with similar calculations in which the equations are solved in Cartesian coordinates at the polar axis, or in which the singularity is removed by employing a staggered mesh in the radial direction without a mesh point at r = 0.

Constantinescu, G.S.↗
NASA NTRS1988

An adaptive pseudospectral method for discontinuous problems

The accuracy of adaptively chosen, mapped polynomial approximations is studied for functions with steep gradients or discontinuities. It is shown that, for steep gradient functions, one can obtain spectral accuracy in the original coordinate system by using polynomial approximations in a transformed coordinate system with substantially fewer collocation points than are necessary using polynomial expansion directly in the original, physical, coordinate system. It is also shown that one can avoid the usual Gibbs oscillation associated with steep gradient solutions of hyperbolic pde's by approximation in suitably chosen coordinate systems. Continuous, high gradient solutions are computed with spectral accuracy (as measured in the physical coordinate system). Discontinuous solutions associated with nonlinear hyperbolic equations can be accurately computed by using an artificial viscosity chosen to smooth out the solution in the mapped, computational domain. Thus, shocks can be effectively resolved on a scale that is subgrid to the resolution available with collocation only in the physical domain. Examples with Fourier and Chebyshev collocation are given.

Augenbaum, Jeffrey M.↗