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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Simulation of Dynamics of PVT Growth: ZnSe

An unsteady model for the simulation of PVT growth process has been developed and applied to growth of ZnSe. The model is capable of tracking the unsteady aspects of the growth process caused by, for example, changes in the system temperature associated with growth, source-depletion, translation of the charge, out-gassing at high temperatures, as well as changes in the source composition during growth. The model predicts the evolution of growth interface morphology as well as the shape of source-gas interface. Thermo-fluid transport in the gas phase is handled by a Low-Mach number unsteady compressible flow formulation. Heat transfer in the crystal, source, and the quartz housing is calculated by the Monte-Carlo technique to capture the variations in the spectral transmittance and index of refraction of the participating media. Simulation results are presented for the growth interface morphology, thermal stresses in the crystal, and growth rate at various stages of growth. The influence of impurity gases on the growth process is also discussed, The simulation results are compared with the experimental observations. The capabilities of the developed tool in addressing other PVT growth processes such as SiC are discussed.

Worlikar, A.↗
DOE OSTI2014

The effects of varying cosmological parameters on halo substructure

We investigate how different cosmological parameters, such as those delivered by the WMAP and Planck missions, affect the nature and evolution of the dark matter halo substructure. We use a series of flat Λ cold dark matter cosmological N-body simulations of structure formation, each with a different power spectrum but with the same initial white noise field. Our fiducial simulation is based on parameters from the WMAP seventh year cosmology. We then systematically vary the spectral index, n{sub s} ; matter density, Ω {sub M}; and normalization of the power spectrum, σ{sub 8}, for seven unique simulations. Across these, we study variations in the subhalo mass function, mass fraction, maximum circular velocity function, spatial distribution, concentration, formation times, accretion times, and peak mass. We eliminate dependence of subhalo properties on host halo mass and average the values over many hosts to reduce variance. While the 'same' subhalos from identical initial overdensity peaks in higher σ{sub 8}, n{sub s} , and Ω {sub m} simulations accrete earlier and end up less massive and closer to the halo center at z = 0, the process of continuous subhalo accretion and destruction leads to a steady state distribution of these properties across all subhalos in a given host. This steady state mechanism eliminates cosmological dependence on all of the properties listed above except for subhalo concentration and V {sub max}, which remain greater for higher σ{sub 8}, n{sub s} , and Ω {sub m} simulations, and subhalo formation time, which remains earlier. We also find that the numerical technique for computing the scale radius and the halo finder that were used can significantly affect the concentration-mass relationship as computed for a simulation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1991

Interference prediction for deep space spacecraft from ground stations - Interference to the Galileo deep space spacecraft from the GOMS geostationary network

A technique for predicting the interference power spectral density from a ground station to a spacecraft in deep space is described. The interference prediction throughout the complete mission is simulated, and distance between the ground station and the deep space spacecraft is calculated. A power spectral density from the GOMS satellite network to the Galileo spacecraft receiver is computed using the thermal noise density level at the Galileo spacecraft as the interference criterion. Data obtained indicate that all three GOMS stations cause at least 30 minutes of interference during Galileo earth flyby number one, and two GOMS ground stations cause at least four minutes of interference during Galileo earth flyby number.

Bishop, Dennis F.↗
NASA NTRSDate not supplied

Implementation of Interactive Sea Ice Radiative Transfer into the GISS GCM and Its Impact on Sea Ice Simulation

To improve the representation of solar radiation in sea ice in the Goddard Institute for Space Studies (GISS) climate model (ModelE), we have implemented an advanced radiative transfer (RT) scheme to interactively calculate the surface albedo and transmittance of the ice layer and the solar absorption within. The ice physical properties (temperature, salinity, and density), which are simulated by the thermodynamic module in ModelE, are directly used as the input of the RT scheme to determine the inherent optical properties (IOPs) of brine pockets and air bubbles in the ice layers. This provides a more sophisticated, accurate, and complete treatment of sea ice RT for ModelE. The sea ice RT model is also validated with measured spectral albedo and transmittance for different ice types. Compared with ModelE simulations with current radiative parameterization for sea ice, the new RT implementation will slightly increase the ice surface albedo in the summer in the Arctic and greatly increase the radiative transmittance. Consequently, the ice surface melting is reduced and the base melting is increased but the difference in the simulated ice area is small. The effect of this new RT implementation on the Antarctic ice is negligible. The observed decrease in Arctic sea ice extent is well captured by the ModelE simulation.

Sea ice↗
DOE OSTI2022

Theoretical analysis of the role of complex transition dipole phase in XUV transient-absorption probing of charge migration

We theoretically investigate the role of complex dipole phase in the attosecond probing of charge migration. The iodobromoacetylene ion (ICCBr + ) is considered as an example, in which one can probe charge migration by accessing both the iodine and bromine ends of the molecule with different spectral windows of an extreme-ultraviolet (XUV) pulse. The analytical expression for transient absorption shows that the site-specific information of charge migration is encoded in the complex phase of cross dipole products for XUV transitions between the I-4 d and Br-3 d spectral windows. Ab-initio quantum chemistry calculations on ICCBr + reveal that there is a constant π phase difference between the I-4 d and Br-3 d transient-absorption spectral windows, irrespective of the fine-structure energy splittings. Transient absorption spectra are simulated with a multistate model including the complex dipole phase, and the results correctly reconstruct the charge-migration dynamics via the quantum beats in the two element spectral windows, exhibiting out-of-phase oscillations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The Concept of a Quantum Edge Simulator: Edge Computing and Sensing in the Quantum Era

Sensors, enabling observations across vast spatial, spectral, and temporal scales, are major data generators for information technology (IT). Processing, storing, and communicating this ever-growing amount of data pose challenges for the current IT infrastructure. Edge computing—an emerging paradigm to overcome the shortcomings of cloud-based computing—could address these challenges. Furthermore, emerging technologies such as quantum computing, quantum sensing, and quantum communications have the potential to fill the performance gaps left by their classical counterparts. Here, we present the concept of an edge quantum computing (EQC) simulator—a platform for designing the next generation of edge computing applications. An EQC simulator is envisioned to integrate elements from both quantum technologies and edge computing to allow studies of quantum edge applications. The presented concept is motivated by the increasing demand for more sensitive and precise sensors that can operate faster at lower power consumption, generating both larger and denser datasets. These demands may be fulfilled with edge quantum sensor networks. Envisioning the EQC era, we present our view on how such a scenario may be amenable to quantification and design. Given the cost and complexity of quantum systems, constructing physical prototypes to explore design and optimization spaces is not sustainable, necessitating EQC infrastructure and component simulators to aid in co-design. We discuss what such a simulator may entail and possible use cases that invoke quantum computing at the edge integrated with new sensor infrastructures.

47 OTHER INSTRUMENTATION↗
NASA NTRS2020

The Impact of Planetary Rotation Rate on the Reflectance and Thermal Emission Spectrum of Terrestrial Exoplanets Around Sun-L ike Stars

Robust atmospheric and radiative transfer modeling will be required to properly interpret reflected light and thermal emission spectra of terrestrial exoplanets. This will help break observational degeneracies between the numerous atmospheric, planetary, and stellar factors that drive planetary climate. Here we simulate the climates of Earth-like worlds around the Sun with increasingly slow rotation periods, from Earth-like to fully Sun-synchronous, using the ROCKE-3D general circulation model. We then provide these results as input to the Spectral Planet Model (SPM), which employs the SMART radiative transfer model to simulate the spectra of a planet as it would be observed from a future space-based telescope. We find that the primary observable effects of slowing planetary rotation rate are the altered cloud distributions, altitudes, and opacities which subsequently drive many changes to the spectra by altering the absorption band depths of biologically-relevant gas species (e.g., H2O, O2, and O3). We also identify a potentially diagnostic feature of synchronously rotating worlds in mid-infrared H2O absorption/emission lines.

Scott D Guzewich↗
DOE OSTI2025

A High-Order Discontinuous Galerkin Spectral Element Method for Compressible Reacting Flows

High-order methods have recently been shown to be an effective tool for high-fidelity flow computations like direct numerical simulations and large eddy simulations due to their strong balance between accuracy and computational cost. In this work, a high-order discontinuous Galerkin spectral element method (DGSEM) is developed to solve the chemically reactive Euler equations encountered in high-speed combustion. To handle the disparate length and time scales associated with these equations, we develop a novel method which combines the spectral accuracy of the SEM with the flexibility of DG approach. Thus, the framework is well suited to capture turbulence in smooth regions of the flow, while maintaining numerical stability in the presence of shocks. The numerical method is implemented within the spectral element solver Nek5000. Validation cases are conducted for both non-reactive and reactive discontinuous flows to demonstrate the solver capability. In particular, canonical one-dimensional and two-dimensional detonation simulations are performed and the high-order numerical results are validated against available literature data.

computational fluid dynamics (CFD)↗
DOE OSTI2013

Performance of non-conventional factorization approaches for neutron kinetics

The use of factorization techniques provides a interesting option for the simulation of the time-dependent behavior of nuclear systems with a reduced computational effort. While point kinetics neglects all spatial and spectral effects, quasi-statics and multipoint kinetics allow to produce results with a higher accuracy for transients involving relevant modifications of the neutron distribution. However, in some conditions these methods can not work efficiently. In this paper, we discuss some possible alternative formulations for the factorization process for neutron kinetics, leading to mathematical models of reduced complications that can allow an accurate simulation of transients involving spatial and spectral effects. The performance of these innovative approaches are compared to standard techniques for some test cases, showing the benefits and shortcomings of the method proposed. (authors)

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Fiber Optical Solar Simulator

A new solar simulator is described whose output closely matches a desired solar spectrum for testing photovoltaic cells. The accurate simulation of the spectrum is attained by combining three light beams, each tailored to have suitable spectral content. The three light beams, derived from two sources, are filtered and 'mixed' by means of a trifurcated, randomized fiber cable so that when superimposed they add up to the desired solar spectrum. The fiber optic solar simulator (FOSS) simplifies solar cell testing by greatly reducing measurement time, obviating need for spectral mismatch corrections, and improving the accuracy of measurement. Other applications of FOSS are also described.

Sopori, Bhushan L.↗
DOE OSTI2018

Bernstein dual-Petrov–Galerkin method: application to 2D time fractional diffusion equation

In this paper, we develop a Bernstein dual-Petrov–Galerkin method for the numerical simulation of a two-dimensional fractional diffusion equation. A spectral discretization is applied by introducing suitable combinations of dual Bernstein polynomials as the test functions and the Bernstein polynomials as the trial ones. We derive the exact sparse operational matrix of differentiation for the dual Bernstein basis which provides a matrix-based approach for the spatial discretization. It is shown that the method leads to banded linear systems that can be solved efficiently. The stability and convergence of the proposed method is discussed. Finally, some numerical examples are provided to support the theoretical claims and to show the accuracy and efficiency of the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Impact of moderate pump–Stokes chirp on femtosecond coherent anti-Stokes Raman scattering spectra

The effects of inducing moderate chirp in the pump and Stokes beams in chirped-probe-pulse femtosecond coherent anti-Stokes Raman scattering (CARS) spectroscopy are discussed. This is an important issue for measurements in high-pressure systems where the CARS beams must be transmitted through glass of significant thickness to reach the probe volume of interest. The effects were investigated both experimentally, by inserting disks of SF-11 glass into the pump and Stokes beam paths, and theoretically, by incorporating pulse chirp into our time-dependent density matrix (TDDM) simulations. Experimentally, we found that inducing moderate pump and Stokes chirp produced significant spectral narrowing of the nonresonant four-wave mixing contribution to the CARS signal, and this allowed us to control the resonant excitation bandwidth to eliminate interferences from neighboring species. The temperature measurement accuracy and precision were essentially unchanged with respect to the unchirped pump and Stokes case. The effect of moderate pump and Stokes chirp on the narrowing of the Raman excitation efficiency envelope was investigated by solving the full set of TDDM through direct numerical integration. The numerical efficiency of the solutions was enhanced dramatically by developing a parallel version of the TDDM code. The calculated Raman excitation efficiency profile was incorporated in our phenomenological spectral fitting codes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2024

Intrastep, Stage-Value Predictors for Diagonally-Implicit Runge-Kutta Methods

To better identify the necessary attributes of good stage-value predictors (SVPs), numerous SVPs are designed for an existing: ESDIRK4(3)7L[2]SA [26] and a new: ESDIRK4(3)8L[2]SA scheme.1 Both are stifflyaccurate, stage-order two, explicit, singly-diagonally implicit Runge–Kutta (ESDIRK) schemes. Tradeoffs are studied in the parameter spaces enforcing the constraints on accuracy, linear stability, nonlinear stability and coefficient size to determine which objectives correlate with effective predictors. The SVPs are tested on three challenging external aerodynamics problems [107 − 108 degrees of freedom (DoFs)], each with a different level of stiffness. The problems include two 3D airfoils simulations and one canonical turbulence simulation. All simulations use the compressible Navier-Stokes equations (CNSE). An entropy stable spectral collocation formulation is used for discretizing the spatial terms in the equations. Simulations are performed at a wide variety of temporal error tolerances. Problems that are sufficiently stiff (e.g., lax temporal error tolerances) benefit from SVPs designed with second-order accuracy and stability properties: A-stability, and L-stability, rather than high accuracy constraints. Simulations with modest stiffness (e.g., strict error tolerances) are better suited for SVPs designed using high accuracy constraints. Designing SVPs with enhanced stability properties is tedious but worthwhile. Simulation times are reduced with optimal SVPs by as much as 100% on some stages, with combined stepwise improvements of between 50 − 100% for both methods. A comparative study is performed with the two aforementioned methods as well as four other ESDIRKs. The newly designed ESDIRK4(3)8L[2]SA with γ ≈ 1/10, proves to be the most efficient of the six tested ESDIRK schemes simulating the CNSE.

Diagonally-Implicit Runge-Kutta↗
DOE OSTI2024

Simultaneous reproduction of experimental profiles, fluxes, transport coefficients, and turbulence characteristics via nonlinear gyrokinetic profile predictions in a DIII-D ITER similar shape plasma

Experimental conditions obtained on the DIII-D tokamak in the ITER Similar Shape (ISS) have been compared extensively with nonlinear gyrokinetic simulation using the CGYRO code [Candy et al., J. Comput. Phys. 324, 73–93 (2016)] with comparisons spanning ion and electron heat fluxes, electron and impurity particle transport, and turbulent fluctuation levels and characteristics. Bayesian optimization techniques [Rodriguez-Fernandez et al., Nucl. Fusion 62(7), 076036 (2022)], combined with nonlinear gyrokinetics, have been used to obtain simultaneously Qi, Qe, and Γe flux-matched profiles that are found to be in good agreement with experimental profile measurements. Synthetic diagnostics were used to compare measured beam emission spectroscopy and correlation electron cyclotron emission turbulent fluctuations with nonlinear simulation. Although some disagreements exist, nonlinear simulations are found to be in generally good agreement with measured fluctuation levels, spectral shapes, and measured radial trends in low-k δne/ne and δTe/Te. Low (Li and C) and mid-Z (Ca) impurity transport was also compared with these flux-matched simulations. Fully stripped, low-Z impurities are well reproduced by the gyrokinetic modeling while clear disagreement exists in comparisons with mid-Z impurities. Nonlinear gyrokinetic investigation into the Z dependence of impurity transport in the ISS conditions is also performed, demonstrating clear trends of impurity diffusion with impurity Z (both D∝Z and D∝1/Z) that vary with the radial location studied. These trends are shown to result from the local dominance of ion temperature gradient or ∇n driven trapped electron mode turbulence and may contribute to the disagreement between simulation and experiment in mid-Z impurity transport. The results of this work represent one of the most complete validation studies of the gyrokinetic model performed to date and provide an example of new capabilities for predicting performance in future fusion devices.

Physics↗
DOE OSTI2018

X-ray Absorption Spectral Signature of Quantum Nuclei in Liquid Water

Based on electron-hole excitation theory, we investigate the X-ray absorption spectral signature of nuclear quantum effect in liquid water, whose molecular structure is simulated by path-integral molecular dynamics using the MB-pol model. Compared to spectra generated from classically modeled water structure, quantum nuclei has important effect on spectra in terms of both the spectral energies and their line shapes. At the short-range ordering of H-bond network, the delocalized protons increase the fluctuations on the intramolecular covalency and broaden the pre-edge of the spectra. For intermediate-range and long-range orderings, the observed red and blue shifts of the main-edge and post-edge are attributed to the so-called competing quantum effects, under which both the weak and well-formed H-bonds are promoted. The theoretical spectra are in nearly quantitative agreement with the available experimental data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

Statistical Properties of Maximum Likelihood Estimators of Power Law Spectra Information

A simple power law model consisting of a single spectral index, a is believed to be an adequate description of the galactic cosmic-ray (GCR) proton flux at energies below 10(exp 13) eV, with a transition at the knee energy, E(sub k), to a steeper spectral index alpha(sub 2) greater than alpha(sub 1) above E(sub k). The Maximum likelihood (ML) procedure was developed for estimating the single parameter alpha(sub 1) of a simple power law energy spectrum and generalized to estimate the three spectral parameters of the broken power law energy spectrum from simulated detector responses and real cosmic-ray data. The statistical properties of the ML estimator were investigated and shown to have the three desirable properties: (P1) consistency (asymptotically unbiased). (P2) efficiency asymptotically attains the Cramer-Rao minimum variance bound), and (P3) asymptotically normally distributed, under a wide range of potential detector response functions. Attainment of these properties necessarily implies that the ML estimation procedure provides the best unbiased estimator possible. While simulation studies can easily determine if a given estimation procedure provides an unbiased estimate of the spectra information, and whether or not the estimator is approximately normally distributed, attainment of the Cramer-Rao bound (CRB) can only he ascertained by calculating the CRB for an assumed energy spectrum-detector response function combination, which can be quite formidable in practice. However. the effort in calculating the CRB is very worthwhile because it provides the necessary means to compare the efficiency of competing estimation techniques and, furthermore, provides a stopping rule in the search for the best unbiased estimator. Consequently, the CRB for both the simple and broken power law energy spectra are derived herein and the conditions under which they are attained in practice are investigated. The ML technique is then extended to estimate spectra information from an arbitrary number of astrophysics data sets produced by vastly different science instruments. This theory and its successful implementation will facilitate the interpretation of spectral information from multiple astrophysics missions and thereby permit the derivation of superior spectral parameter estimates based on the combination of data sets.

Howell, L. W.↗
DOE OSTI2013

Petascale turbulence simulation using a highly parallel fast multipole method on GPUs

This paper reports large-scale direct numerical simulations of homogeneous-isotropic fluid turbulence, achieving sustained performance of 1.08 petaflop/s on gpu hardware using single precision. The simulations use a vortex particle method to solve the Navier–Stokes equations, with a highly parallel fast multipole method (fmm) as numerical engine, and match the current record in mesh size for this application, a cube of computational points solved with a spectral method. The standard numerical approach used in this field is the pseudo-spectral method, relying on the fft algorithm as the numerical engine. The particle-based simulations presented in this paper quantitatively match the kinetic energy spectrum obtained with a pseudo-spectral method, using a trusted code. In terms of parallel performance, weak scaling results show the fmm-based vortex method achieving 74% parallel efficiency on 4096 processes (one gpu per mpi process, 3 gpus per node of the tsubame-2.0 system). The fft-based spectral method is able to achieve just 14% parallel efficiency on the same number of mpi processes (using only cpu cores), due to the all-to-all communication pattern of the fft algorithm. The calculation time for one time step was 108 s for the vortex method and 154 s for the spectral method, under these conditions. Computing with 69 billion particles, this work exceeds by an order of magnitude the largest vortex-method calculations to date.

Computer Science↗
NASA NTRS2021

Cold Season Performance of the NU-WRF Regional Climate Model in the Great Lakes Region

As Earth’s largest collection of freshwater, the Laurentian Great Lakes have enormous ecological and socio-economic value. Their basin has become a regional hotspot of climatic and limnological change, potentially threatening its vital natural resources. Consequentially, there is a need to assess the current state of climate models regarding their performance across the Great Lakes region and develop the next generation of high-resolution regional climate models to address complex limnological processes and lake-atmosphere interactions. In response to this need, the current paper focuses on the generation and analysis of a 20-member ensemble of 3-km National Aeronautics and Space Administration (NASA)-Unified Weather Research and Forecasting (NU-WRF) simulations for the 2014-2015 cold season. The study aims to identify the model’s strengths and weaknesses; optimal configuration for the region; and the impacts of different physics parameterizations, coupling to a 1D lake model, time-variant lake-surface temperatures, and spectral nudging. Several key biases are identified in the cold-season simulations for the Great Lakes region, including an atmospheric cold bias that is amplified by coupling to a 1D lake model but diminished by applying the Community Atmosphere Model radiation scheme and Morrison microphysics scheme; an excess precipitation bias; anomalously early initiation of fall lake turnover and subsequent cold lake bias; excessive and overly persistent lake ice cover; and insufficient evaporation over Lakes Superior and Huron. The research team is currently addressing these key limitations by coupling NU-WRF to a 3D lake model in support of the next generation of regional climate models for the critical Great Lakes Basin.

Michael Notaro↗