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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Triangular spectral elements for incompressible fluid flow

We discuss the use of triangular elements in the spectral element method for direct simulation of incompressible flow. Triangles provide much greater geometric flexibility than quadrilateral elements and are better conditioned and more accurate when small angles arise. We employ a family of tensor product algorithms for triangles, allowing triangular elements to be handled with comparable arithmetic complexity to quadrilateral elements. The triangular discretizations are applied and validated on the Poisson equation. These discretizations are then applied to the incompressible Navier-Stokes equations and a laminar channel flow solution is given. These new triangular spectral elements can be combined with standard quadrilateral elements, yielding a general and flexible high order method for complex geometries in two dimensions.

Mavriplis, C.↗
NASA NTRS1993

Triangular spectral elements for incompressible fluid flow

We discuss the use of triangular elements in the spectral element method for direct simulation of incompressible flow. Triangles provide much greater geometric flexibility and are better conditioned and more accurate than quadrilateral elements when small angles arise. We employ a family of tensor product algorithms for triangles, allowing triangular elements to be handled with comparable arithmetic complexity to quadrilateral elements. The triangular discretizations are applied to the Poisson equation and are validated. The triangular discretizations are then applied to the incompressible Navier-Stokes equations, and a laminar channel flow solution is given. The new triangular spectral elements can be combined with standard quadrilateral elements, yielding a general and flexible high order method for complex geometries in two dimensions.

Mavriplis, Catherine↗
DOE OSTI2025

Bias‐Dependent Quantum Efficiency Reveals Recombination Pathways in Thin Film Solar Cells

Identifying where recombination predominantly occurs—whether at the front interface, back interface, or throughout the bulk—is crucial for optimizing CdSeTe solar cells and many other photovoltaic device architectures. Here, a simple and effective diagnostic is demonstrated: measuring external quantum efficiency (QE) under varying forward biases. The drift–diffusion simulations reveal that each recombination pathway leaves a distinct bias-induced signature in the normalized QE: a progressive drop at long wavelengths for back-limited devices, a short-wavelength decline for front-limited devices, and a relatively uniform decrease across all wavelengths for bulk-limited devices. These predictions are validated with experiments on As-doped and Cu-doped CdSeTe devices, with and without passivation layers or different front buffers. In each case, the observed bias-dependent QE spectral changes align with the simulated recombination map. Because this method uses standard QE instrumentation, it offers a broadly accessible and cost-efficient means to diagnose recombination pathways—extending beyond CdSeTe to other thin-film and emerging solar cell technologies. By pinpointing recombination bottlenecks, researchers and manufacturers can strategically refine doping profiles, passivation schemes, and interface designs to further improve device performance.

CdTe↗
NASA NTRS1982

A climate index derived from satellite measured spectral infrared radiation

The vertical infrared radiative emitting structure (VIRES) climate index, based on radiative transfer theory and derived from the spectral radiances typically used to retrieve temperature profiles, is introduced. It is assumed that clouds and climate are closely related and a change in one will result in a change in the other. The index is a function of the cloud, temperature, and moisture distributions. It is more accurately retrieved from satellite data than is cloudiness per se. The VIRES index is based upon the shape and relative magnitude of the broadband weighting function of the infrared radiative transfer equation. The broadband weighting curves are retrieved from simulated satellite infrared sounder data (spectral radiances). The retrieval procedure is described and the error error sensitivities of the method investigated. Index measuring options and possible applications of the VIRES index are proposed.

Abel, M. D.↗
DOE OSTI2026

Efficient simulation of optical spectra via machine learning and physical decomposition of environmental effects

Simulations of optical spectra can provide key insights to aid experimental interpretation of electronic excitation phenomena. For chromophores in the condensed phase, these spectra, which incorporate the coupling between electronic excitation and molecular and solvent nuclear motions, can be simulated using excitation energies obtained from molecular dynamics simulations of the chromophore and solvent. Here, we present a hybrid scheme that exploits machine learning and physically informed spectral densities to show that as few as 25 ground and excited state energetic gradient calculations can be used to construct models that accurately predict environment-influenced vibronic coupling in optical spectra. We demonstrate our approach for the green fluorescent protein chromophore in water and the cresyl violet chromophore in methanol. We show that our hybrid approach, employing a machine learning model for the high-frequency spectral density and an ab initio parameterized Debye spectral density for the low-frequency, results in a systematic improvement of the optical absorption lineshape, leading to a simple machine learning scheme that can be used for the simulation of spectral densities and optical spectra.

Snider, Andrew [Univ. of California, Merced, CA (U↗
NASA NTRS2011

ISSARS Aerosol Database : an Incorporation of Atmospheric Particles into a Universal Tool to Simulate Remote Sensing Instruments

The Instrument Simulator Suite for Atmospheric Remote Sensing (ISSARS) entered its third and final year of development with an overall goal of providing a unified tool to simulate active and passive space borne atmospheric remote sensing instruments. These simulations focus on the atmosphere ranging from UV to microwaves. ISSARS handles all assumptions and uses various models on scattering and microphysics to fill the gaps left unspecified by the atmospheric models to create each instrument's measurements. This will help benefit mission design and reduce mission cost, create efficient implementation of multi-instrument/platform Observing System Simulation Experiments (OSSE), and improve existing models as well as new advanced models in development. In this effort, various aerosol particles are incorporated into the system, and a simulation of input wavelength and spectral refractive indices related to each spherical test particle(s) generate its scattering properties and phase functions. These atmospheric particles being integrated into the system comprise the ones observed by the Multi-angle Imaging SpectroRadiometer(MISR) and by the Multiangle SpectroPolarimetric Imager(MSPI). In addition, a complex scattering database generated by Prof. Ping Yang (Texas A&M) is also incorporated into this aerosol database. Future development with a radiative transfer code will generate a series of results that can be validated with results obtained by the MISR and MSPI instruments; nevertheless, test cases are simulated to determine the validity of various plugin libraries used to determine or gather the scattering properties of particles studied by MISR and MSPI, or within the Single-scattering properties of tri-axial ellipsoidal mineral dust particles database created by Prof. Ping Yang.

Instrument Simulator Suite for Atmospheric Remote ↗
NASA NTRS1972

Environmental simulation from 0.01 to 100 solar constants

The design and development of two solar radiation simulators with an intensity variation ranging from 0.01 to greater than 100 solar constants under vacuum conditions are discussed. The characteristics of the simulators are presented in terms of spectral content, beam uniformity, and stability. Preliminary thermal radiative property data obtained at high temperatures are reported. The general operating characteristics of the simulator are automatic starting, control of both positive and negative electrodes, and uninterrupted operation for periods in excess of 24 hours.

Jack, J. R.↗
NASA NTRS1981

Simulation of atmospheric turbulent gusts and gust gradients

An improved three-dimensional, nonrecursive model for atmospheric turbulence has been developed which provides for simulation of both instantaneous gusts and gust gradients along the flight path of the Space Shuttle. The one-dimensional gust and gust gradient spectral models, which form the basis for the simulation scheme, are developed from three-dimensional, von Karman spectra, integrated over finite limits based on the characteristic dimensions (length, width, and thickness) of the flight vehicle. By means of the simulation process nondimensional time series for both gusts and gust gradients have been generated and stored on a series of magnetic tapes for four altitude bands ranging from 0 to 10,000 meters. These Shuttle Simulated Turbulence Tapes (SSTT) have been validated by means of spectral and statistical analyses with satisfactory results. The dimensionless form of the time series coupled with the use of a von Karman spectral model (as opposed to a Dryden model) distinguish the SSTT from earlier turbulence simulation concepts.

Tatom, F. B.↗
NASA NTRS1992

Direct numerical simulation of instabilities in parallel flow with spherical roughness elements

Results from a direct numerical simulation of laminar flow over a flat surface with spherical roughness elements using a spectral-element method are given. The numerical simulation approximates roughness as a cellular pattern of identical spheres protruding from a smooth wall. Periodic boundary conditions on the domain's horizontal faces simulate an infinite array of roughness elements extending in the streamwise and spanwise directions, which implies the parallel-flow assumption, and results in a closed domain. A body force, designed to yield the horizontal Blasius velocity in the absence of roughness, sustains the flow. Instabilities above a critical Reynolds number reveal negligible oscillations in the recirculation regions behind each sphere and in the free stream, high-amplitude oscillations in the layer directly above the spheres, and a mean profile with an inflection point near the sphere's crest. The inflection point yields an unstable layer above the roughness (where U''(y) is less than 0) and a stable region within the roughness (where U''(y) is greater than 0). Evidently, the instability begins when the low-momentum or wake region behind an element, being the region most affected by disturbances (purely numerical in this case), goes unstable and moves. In compressible flow with periodic boundaries, this motion sends disturbances to all regions of the domain. In the unstable layer just above the inflection point, the disturbances grow while being carried downstream with a propagation speed equal to the local mean velocity; they do not grow amid the low energy region near the roughness patch. The most amplified disturbance eventually arrives at the next roughness element downstream, perturbing its wake and inducing a global response at a frequency governed by the streamwise spacing between spheres and the mean velocity of the most amplified layer.

Deanna, R. G.↗
NASA NTRS1983

The influence of gravity wave breaking on the general circulation of the middle atmosphere

The zonal mean solstice circulation of the global middle atmosphere is simulated using a semi-spectral numerical model. Radiative heating and cooling is computed by the algorithm of Wehrbein and Leovy. Mechanical dissipation is represented by the gravity wave breaking parameterization of Lindzen. An inertial adjustment parameterization is used to prevent the development of inertially unstable meridional shears near the equator. It is shown that gravity wave drag and diffusion in the mesosphere can account for the observed large departure from radiative equilibrium in both summer and winter. Experiments incorporating a forced stationary wavenumber 1 disturbance indicate that planetary wave EP flux convergences, although they may modify the mean flow profile significantly, cannot provide the major source of mechanical dissipation in the winter mesosphere. A simulated sudden warming is accompanied by an equally strong mesospheric cooling. This cooling is caused primarily by the relaxation of the polar mesosphere toward radiative equilibrium when the easterly mean winds in the polar stratosphere induced by the sudden warming reduce the transmission of gravity waves into the mesosphere.

Holton, J. R.↗
NASA NTRSDate not supplied

An Initial Assessment of the Impact of System Spectral Response Parameters on Driving Ocean Color Applications for the GeoXO Ocean Color Instrument (OCX)

NOAA’s Geostationary Extended Observations (GeoXO) program is planning to include a hyperspectral ocean color instrument (OCX) in geostationary orbit slated for operations by the early 2030s. Shared international focus has led to a diverse legacy of space-based remote sensing ocean color missions that have and will continue to provide ocean color products into the future at a variety of spatial, temporal, and spectral resolutions. This work reports on an investigation of the impacts of system spectral response parameters on spectral shape and algal bloom detection for the planned OCX instrument. A dataset of high resolution (1 nm spectral sampling) in-situ spectra of red tide collected with an above water spectrometer, and associated K. brevis cell concentrations, were used to simulate OCX observations of varying system spectral response parameters. The OCX Performance Operational Requirements Document (PORD) level spectral resolution and sampling are varied concurrently and the location of band centers is varied independently. The impacts to the spectral shape using hyperspectral signature analysis, as well as the impacts to two heritage multispectral algal bloom detection algorithms – red band difference (RBD) and Karenia brevis bloom index (KBBI) – are assessed considering both changes in resolution/sampling and band center location. This work provides a quantitative assessment of the impacts of system spectral response requirements on both the spectral shape of observations as well as the algal bloom detection to provide insight on how various instrument performance parameters influence science and operational utility of OCX. Future work will seek to expand this analysis to include a larger dataset that considers additional water cases.

Monica Cook↗
NASA NTRSDate not supplied

An Initial Assessment of the Impact of System Spectral Response Parameters on Driving Ocean Color Applications for the GeoXO Ocean Color Instrument (OCX)

NOAA’s Geostationary Extended Observations (GeoXO) program is planning to include a hyperspectral ocean color instrument (OCX) in geostationary orbit slated for operations by the early 2030s. Shared international focus has led to a diverse legacy of space-based remote sensing ocean color missions that have and will continue to provide ocean color products into the future at a variety of spatial, temporal, and spectral resolutions. This work reports on an investigation of the impacts of system spectral response parameters on spectral shape and algal bloom detection for the planned OCX instrument. A dataset of high resolution (1 nm spectral sampling) in-situ spectra of red tide collected with an above water spectrometer, and associated K. brevis cell concentrations, were used to simulate OCX observations of varying system spectral response parameters. The OCX Performance Operational Requirements Document (PORD) level spectral resolution and sampling are varied concurrently and the location of band centers is varied independently. The impacts to the spectral shape using hyperspectral signature analysis, as well as the impacts to two heritage multispectral algal bloom detection algorithms – red band difference (RBD) and Karenia brevis bloom index (KBBI) – are assessed considering both changes in resolution/sampling and band center location. This work provides a quantitative assessment of the impacts of system spectral response requirements on both the spectral shape of observations as well as the algal bloom detection to provide insight on how various instrument performance parameters influence science and operational utility of OCX. Future work will seek to expand this analysis to include a larger dataset that considers additional water cases.

M. Cook↗
DOE OSTI2020

Active- and transfer-learning applied to microscale-macroscale coupling to simulate viscoelastic flows

Active- and transfer-learning are applied to microscale dynamics of polymer flows for the multiscale discovery of effective constitutive approximations required in viscoelastic flow simulation. The result is macroscopic rheology directly connected to a microstructural model. Micro and macroscale simulations are adaptively coupled by means of Gaussian process regression (GPR) to run the expensive microscale computations only as necessary. This multiscale method is demonstrated with flows of a polymer solution as a model system. At the microscale level dissipative particle dynamics (DPD) is employed to model the fluid as a suspension of bead-spring micro-structures subjected to steady shear flow. The results yield the non-Newtonian viscosity and the first normal stress difference at strain rates as training data used in a GPR model. DPD parameters are calibrated with respect to experimental data for a real polymer solution. Compliance with these data requires adjustment of the DPD model's cutoff radius, which then becomes a function of the second invariant of the strain rate tensor. The FENE-P model is chosen for the macroscale description using the spectral element method (SEM) to simulate channel flow and flow past a circular cylinder. The DPD results at the lowest possible shear strain rate yield an estimate of the zero-shear rate viscosity, which allows the initiation of the macroscale flow by SEM as a Newtonian fluid. The resulting strain-rate field is surveyed to determine additional shear strain rate sampling points for the DPD system. This new information allows an initial fitting of parameters of the constitutive equation followed by new SEM simulations at the macroscale. Additionally, guided by active-learning GPR to select new sampling points, this process continues until convergence is achieved. The effectiveness of this new simulation paradigm for viscoelastic flows is tested with different macroscale operating conditions. The effective closure learned in the channel simulation is then transferred directly to the flow past a circular cylinder at low Reynolds number, where the results show that only two additional DPD simulations are required to achieve a satisfactory constitutive model. With an increase of the Reynolds number, the active-learning scheme automatically detects the inaccuracy of the learned constitutive model, and initiates additional DPD simulations for the extra data needed to once again close the microscale-macroscale coupled system. This new paradigm of active- and transfer-learning for multiscale modeling is readily applicable to other microscale-macroscale coupled simulations of complex fluids and other materials. Furthermore, the coupling between microscale and macroscale solvers can be seamlessly implemented with our open source multiscale universal interface (MUI) library.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1998

Simulated infrared emission spectra of highly excited polyatomic molecules: a detailed model of the PAH-UIR hypothesis

A detailed description of the polycyclic aromatic hydrocarbon (PAH)/unidentified infrared band (UIR) mechanism is presented in which experimental spectral bandshape functions are used to simulate IR emission spectra for individual molecules. These spectra are additively superimposed to produce a conglomerate spectrum representative of a family of PAH molecules. Ab initio vibrational frequencies and intensities for nine PAHs (neutral and cationic) as large as ovalene are used in conjunction with measured bandshape and temperature-dependent redshift data to simulate the UIR bands. The calculated spectra of cations provide a closer match to the UIRs than do those of the neutrals. However, the PAH cations used in the simulations fail to reproduce the details of the UIR emission spectra. The discrepancies are potentially alleviated if both larger PAHs and a greater number of PAHs were included in the simulation.

Non-NASA Center↗
DOE OSTI2020

The Performance of a Spectral Wave Model at Predicting Wave Farm Impacts

For renewable ocean wave energy to support global energy demands, wave energy converters (WECs) will likely be deployed in large numbers (farms), which will necessarily change the nearshore environment. Wave farm induced changes can be both helpful (e.g., beneficial habitat and coastal protection) and potentially harmful (e.g., degraded habitat, recreational, and commercial use) to existing users of the coastal environment. It is essential to estimate this impact through modeling prior to the development of a farm, and to that end, many researchers have used spectral wave models, such as Simulating WAves Nearshore (SWAN), to assess wave farm impacts. However, the validity of the approaches used within SWAN have not been thoroughly verified or validated. Herein, a version of SWAN, called Sandia National Laboratories (SNL)-SWAN, which has a specialized WEC implementation, is verified by comparing its wave field outputs to those of linear wave interaction theory (LWIT), where LWIT is theoretically more appropriate for modeling wave-body interactions and wave field effects. The focus is on medium-sized arrays of 27 WECs, wave periods, and directional spreading representative of likely conditions, as well as the impact on the nearshore. A quantitative metric, the Mean Squared Skill Score, is used. Results show that the performance of SNL-SWAN as compared to LWIT is “Good” to “Excellent”.

environmental impacts↗