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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

DNS of Low-Pressure Turbine Cascade Flows with Elevated Inflow Turbulence Using a Discontinuous-Galerkin Spectral-Element Method

Recent progress towards developing a new computational capability for accurate and efficient high-fidelity direct numerical simulation (DNS) and large-eddy simulation (LES) of turbomachinery is described. This capability is based on an entropy- stable Discontinuous-Galerkin spectral-element approach that extends to arbitrarily high orders of spatial and temporal accuracy, and is implemented in a computationally efficient manner on a modern high performance computer architecture. An inflow turbulence generation procedure based on a linear forcing approach has been incorporated in this framework and DNS conducted to study the effect of inflow turbulence on the suction- side separation bubble in low-pressure turbine (LPT) cascades. The T106 series of airfoil cascades in both lightly (T106A) and highly loaded (T106C) configurations at exit isentropic Reynolds numbers of 60,000 and 80,000, respectively, are considered. The numerical simulations are performed using 8th-order accurate spatial and 4th-order accurate temporal discretization. The changes in separation bubble topology due to elevated inflow turbulence is captured by the present method and the physical mechanisms leading to the changes are explained. The present results are in good agreement with prior numerical simulations but some expected discrepancies with the experimental data for the T106C case are noted and discussed.

Garai, Anirban↗
DOE OSTI2024

Data-Driven Invertible Neural Surrogates of Atmospheric Transmission

We present Data-Driven Invertible Neural Surrogates of Atmospheric transmission, or DINSAT. DINSAT is a novel framework for inferring an atmospheric transmission profile from a spectral scene. This framework leverages a lightweight, physics-based simulator that is automatically tuned -- by virtue of autodifferentiation and differentiable programming -- to construct a surrogate atmospheric profile to model the observed data. The framework has utility in (i) performing atmospheric correction, (ii) recasting spectral data between various modalities (e.g. radiance and reflectance at the surface and at the sensor), and (iii) inferring atmospheric transmission profiles, such as absorbing bands and their relative magnitudes. We demonstrate the utility of these methods by performing a canonical atmospheric correction task for the purposes of further analysis - in this case, target detection within a scene.

Koch, James V.↗
NASA NTRS2013

Damage Detection in Composite Structures with Wavenumber Array Data Processing

Guided ultrasonic waves (GUW) have the potential to be an efficient and cost-effective method for rapid damage detection and quantification of large structures. Attractive features include sensitivity to a variety of damage types and the capability of traveling relatively long distances. They have proven to be an efficient approach for crack detection and localization in isotropic materials. However, techniques must be pushed beyond isotropic materials in order to be valid for composite aircraft components. This paper presents our study on GUW propagation and interaction with delamination damage in composite structures using wavenumber array data processing, together with advanced wave propagation simulations. Parallel elastodynamic finite integration technique (EFIT) is used for the example simulations. Multi-dimensional Fourier transform is used to convert time-space wavefield data into frequency-wavenumber domain. Wave propagation in the wavenumber-frequency domain shows clear distinction among the guided wave modes that are present. This allows for extracting a guided wave mode through filtering and reconstruction techniques. Presence of delamination causes spectral change accordingly. Results from 3D CFRP guided wave simulations with delamination damage in flat-plate specimens are used for wave interaction with structural defect study.

Tian, Zhenhua↗
NASA NTRS1991

Computational study of three dimensional viscous flow through a turbine cascade using a multi-domain spectral technique

The three dimensional viscous flow through a planar turbine cascade is numerically simulated by direct solution of the incompressible Navier-Stokes equations. Flow dependence in the spanwise direction is represented by direct expansion in Chebyshev polynomials, while the discretization on planes parallel to the endwalls is accomplished using the spectral element method. Elemental mapping from the physical to the computational space uses an algebraic mapping technique. A fractional time stepping method that consists of an explicit nonlinear convective step, an implicit pressure correction step, and an implicit viscous step is used to advance the Navier-Stokes equations forward in time. Results computed at moderate Reynolds numbers show a three dimensional endwall flow separation, a midspan separation of the blade suction surface boundary layer, and other three-dimensional features such as the presence of a saddle point flow in the endwall region. In addition, the computed skin friction lines are shown to be orthogonal to the surface vorticity lines, demonstrating the accuracy achievable in the present method.

Renaud, Earl W.↗
NASA NTRSDate not supplied

Nanoflare Heating of an X-Ray Bright Point

Nanoflares are thought to be one of the prime candidates that can keep the solar corona to its multimillion kelvin temperature. Individual nanoflares are difficult to detect with the present generation instruments, however their presence can be inferred by comparing the nanoflare heated simulated plasma emissions with the observed emission. Here, we present a simulation of emission from an X-ray Bright Point (XBP) that was observed by the Marshall Grazing Incidence X-ray Spectrometer (MaGIXS), along with concurrent observations from SDO/AIA and Hinode/XRT. We use EBTEL hydrodynamic code to simulate the XBP loops. Length and magnetic field strength of these loops are derived from the potential field extrapolation of the observed photospheric magnetogram by HMI/SDO. Each loop is assumed to be heated by random nanoflares, whose magnitude and frequency are determined by the looplength and magnetic field strength. The simulated outputs are used to predict the intensity of spectrally pure map of Fe-18, Fe-17, Ne-9 ,O-8, O-9, Ne-9 etc, which are then compared with the derived intensity from MaGIXS observation. Further we have predicted the intensity map as observed by AIA and XRT and compared them with the observation. We also estimated the temperature distribution of the XBP from the simulation and found a good agreement with the derived distribution from MaGIXS observation.

coronal heating↗
DOE OSTI2021

L 98-59: A Benchmark System of Small Planets for Future Atmospheric Characterization

The M3V dwarf star L 98-59 hosts three small (R < 1.6 R {sub ⊕}) planets. The host star is bright (K = 7.1) and nearby (10.6 pc), making the system a prime target for follow-up characterization with the Hubble Space Telescope (HST) and the upcoming James Webb Space Telescope (JWST). Herein, we use simulated transmission spectroscopy to evaluate the detectability of spectral features with HST and JWST assuming diverse atmospheric scenarios (e.g., atmospheres dominated by H{sub 2}, H{sub 2}O, CO{sub 2}, or O{sub 2}). We find that H{sub 2}O and CH{sub 4} present in a low mean molecular weight atmosphere could be detected with HST in one transit for the two outermost planets, while H{sub 2}O in a clear steam atmosphere could be detected in six transits or fewer with HST for all three planets. We predict that observations using JWST/NIRISS would be capable of detecting a clear steam atmosphere in one transit for each planet and H{sub 2}O absorption in a hazy steam atmosphere in two transits or less. In a clear, desiccated atmosphere, O{sub 2} absorption may be detectable for all three planets with NIRISS. If the L 98-59 planets possess a clear, Venus-like atmosphere, NIRSpec could detect CO{sub 2} within 26 transits for each planet, but the presence of H{sub 2}SO{sub 4} clouds would significantly suppress CO{sub 2} absorption. The L 98-59 system is an excellent laboratory for comparative planetary studies of transiting multiplanet systems, and observations of the system via HST and JWST would present a unique opportunity to test the accuracy of the models presented in this study.

47 OTHER INSTRUMENTATION↗
NASA NTRSDate not supplied

Nanoflare Heating Frequency of an X-ray Bright Point Observed by MaGIXS

Nanoflares have been considered to be one of the most likely candidates for heating the solar corona to multi-million kelvin temperatures. Individual nanoflares are difficult to detect with today's instruments, but their presence may be established by comparing simulated nanoflare-heated plasma emissions to observed emissions. We present a simulation of emission from an X-ray Bright Point (XBP) detected by the MaGIXS, as well as simultaneous observations from SDO/AIA and Hinode/XRT. To simulate the XBP loops, we utilize the HYDRAD code. The length and magnetic field strength of these loops are determined using potential field extrapolation of SDO/HMI's observed photospheric magnetogram. Each loop is considered to be heated by random nanoflares, the amplitude and frequency of which are governed by the length of the loop and the strength of the magnetic field. The simulated outputs are used to estimate the intensity of spectrally pure maps of Fe-18, Fe-17, Ne-9, O-8, O-9, Ne-9, and so on, which is then compared to the intensity determined from MaGIXS observations. In addition, we derived the intensity maps obtained by AIA and XRT and compared them to the observed data. The composite distribution of the delay time of the nanoflares for which the simulated loops morphology and intensities match with observation shows a peak at 200s-500s, indicating that most of the nanoflares have a high/intermediate frequency.

coronal heating↗
NASA NTRS2014

TPSAS-NF1676L-18357-DND

High-spectral resolution measurements (in the IR region) from space born infrared sensors can provide sufficient spectral information about cloud properties like cloud top pressure, cloud particle size and cloud optical thickness. Empirical orthogonal function (EOF) based regression scheme was used to retrieve cloud properties along with atmospheric state profiles. A channel based physical inversion scheme was also tried on cloud-contaminated radiances to improve retrieval accuracy achieved by regression scheme. Recently developed principle component (PC) based physical retrieval algorithm utilized the EOF transformation to compress both hyperspectral radiance spectra and atmospherical profiles into PC scores to greatly boost the computational speed while maintaining the information content. The accuracy of the (PC) based radiation transfer model (PCRTM) to simulate top-of the atmosphere(TOA) high-spectral resolution radiance spectra for both clear and cloudy sky conditions has been well tested by comparing with the other line-by-line radiation transfer model and using the observation data. The application of the PCRTM based physical inversion method on simulated IASI radiance under 'cloudy' conditions will be a good integrity test for the new algorithm.

X Liu↗
DOE OSTI2023

Aerosol Indirect Effects on Water Vapor in the UTLS of Typhoon Saomai (2006)

The evolution of landfalling Typhoon Saomai (2006) is simulated using the Weather Research and Forecasting model with spectral bin microphysics scheme, showing tropical cyclone (TC) could vertically transport water vapor from troposphere to upper troposphere and lower stratosphere (UTLS). Three aerosol sensitivity experiments are conducted to explore the indirect effects of aerosol served as cloud condensation nuclei (CCN) on overshooting convection (OTC) and water vapor content in UTLS, namely MAR (maritime), MIX (semi‐continental) and CON (continental). Results revealed that CON simulation with high initial aerosol concentration showing invigorated convection at the periphery of the TC, which interfered with the reformation of TC eyewall, leading to TC weakening finally. In addition, CON simulated the least water content in UTLS through suppressing the number of convection overshooting the tropopause level. Most overshooting events take place during TC developing stage in the eyewall region before landfall. Higher levels of CCN concentration could lead to decreased number of OTC in TC, consistently reduced the water vapor content in UTLS. CON and MIX experiments simulated respectively 21.9% (16.2%) and 9.96% (1.5%) less OTC (water vapor content in UTLS) than MAR simulation. Further, water vapor content in UTLS is affected by the interaction of OTC and ice‐phase microphysics. The interesting point is that the CCN sensitivity experiments show that water vapor content in UTLS of a TC is sensitive to the CCN concentration in the boundary layer.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Convective and Turbulent Motions in Nonprecipitating Cu. Part III: Characteristics of Turbulence Motions

Velocity field in a nonprecipitating Cu under BOMEX conditions, simulated by SAM with 10-m resolution and spectral bin microphysics is separated into the convective part and the turbulent part, using a wavelet filtering. In Part II of the study properties of convective motions of this Cu were investigated. Here in Part III of the study, the parameters of cloud turbulence are calculated in the cloud updraft zone at different stages of cloud development. The main points of this study are (i) application of a fine-scale LES model of a single convective cloud allowed a direct estimation of turbulence parameters using the resolved flow in the cloud and (ii) the separation of the resolved flow into the turbulence flow and the nonturbulence flow allowed us to estimate different turbulent parameters with sufficient statistical accuracy. We calculated height and time dependences of the main turbulent parameters such as turbulence kinetic energy (TKE), spectra of TKE, dissipation rate, and the turbulent coefficient. It was found that the main source of turbulence in the cloud is buoyancy whose contribution is described by the buoyancy production term (BPT). The shear production term (SPT) increases with height and reaches its maximum near cloud top, and so does BPT. In agreement with the behavior of BPT and SPT, turbulence in the lower cloud part (below the inversion level) is weak and hardly affects the processes of mixing and entrainment. The fact that BPT is larger than SPT determines many properties of cloud turbulence. For instance, the turbulence is nonisotropic, so the vertical component of TKE is substantially larger than the horizontal components. Another consequence of the fact that BPT is larger than STP manifests itself in the finding that the turbulence spectrum largely obeys the -11/5 Bolgiano–Obukhov scaling. The classical Kolmogorov -5/3 scaling dominates for the low part of a cloud largely at the dissolving stage of cloud evolution. Using the spectra obtained we evaluated an “effective” dissipation rate which increases with height from nearly zero at cloud base up to 20 cm 2 s -3 near cloud top. The coefficient of turbulent diffusion was found to increase with height and ranged from 5 m 2 s -1 near cloud base to 25 m 2 s -1 near cloud top. In conclusion, the possible role of turbulence in the process of lateral entrainment and mixing is discussed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Advanced Simulation of ITER Core X-ray Crystal Spectroscopy

X-Ray Simulation Analysis (XRSA) is an analytical ray-tracing mixed code developed specifically for the ITER Core X-Ray Crystal Spectroscopy (XRCS-Core) diagnostic, which employs a dual-reflection configuration incorporating multiple pre-reflectors made of Highly Oriented Pyrolytic Graphite (HOPG) and spherically curved analyzing crystals. The ITER XRCS-Core is designed for high spectral resolution measurement in specific wavelength ranges, including narrow bands around 1.354 Å for W 64+ , 2.19 Å for Xe 51+ , and 2.555 Å for Xe 44+ and Xe 47+ , enabling diagnostic capability across a broad electron temperature range in the ITER plasma. XRSA facilitates efficient simulation of the spectral performance of this complex X-ray spectroscopic system. Recent updates to the XRSA code have incorporated two critical effects: auto-focusing, which specifically applies to HOPG, and polarization. These two effects are particularly important in the dual-reflection configuration used in the ITER XRCS-Core system to provide more accurate modeling results. Here, simulations conducted with the updated code demonstrate that polarization has a substantial impact on the performance of the dual-reflection system. Additionally, the combined influence of polarization and system layout introduces performance variations across channels through the same crystal.

Computer graphics↗
NASA NTRS1980

Numerical experiments in boundary-layer stability

Numerical solution of the three-dimensional incompressible Navier-Stokes equations is used to study the instability of a flat-plate boundary layer in a manner analogous to the vibrating-ribbon experiments. Flow-field structures are observed which are very similar to those found in the vibrating-ribbon experiment to which computational initial conditions have been matched. Streamwise periodicity is assumed in the simulation so that the evolution occurs in time, but the events which constitute the instability are so similar to the spatially occurring ones of the laboratory that it seems clear the physical processes involved are the same. A spectral and finite difference numerical algorithm is employed in the simulation.

Wray, A.↗
DOE OSTI2023

Decoding the Atomic Structure of Ga 2 Te 5 Pulsed Laser Deposition Films for Memory Applications Using Diffraction and First-Principles Simulations

Neuromorphic computing, reconfigurable optical metamaterials that are operational over a wide spectral range, holographic and nonvolatile displays of extremely high resolution, integrated smart photonics, and many other applications need next-generation phase-change materials (PCMs) with better energy efficiency and wider temperature and spectral ranges to increase reliability compared to current flagship PCMs, such as Ge 2 Sb 2 Te 5 or doped Sb 2 Te. Gallium tellurides are favorable compounds to achieve the necessary requirements because of their higher melting and crystallization temperatures, combined with low switching power and fast switching rate. Ga 2 Te 3 and non-stoichiometric alloys appear to be atypical PCMs; they are characterized by regular tetrahedral structures and the absence of metavalent bonding. The sp 3 gallium hybridization in cubic and amorphous Ga 2 Te 3 is also different from conventional p-bonding in flagship PCMs, raising questions about its phase-change mechanism. Furthermore, gallium tellurides exhibit a number of unexpected and highly unusual phenomena, such as nanotectonic compression and viscosity anomalies just above their melting points. Using high-energy X-ray diffraction, supported by first-principles simulations, we will elucidate the atomic structure of amorphous Ga 2 Te 5 PLD films, compare it with the crystal structure of tetragonal gallium pentatelluride, and investigate the electrical, optical, and thermal properties of these two materials to assess their potential for memory applications, among others.

36 MATERIALS SCIENCE↗
NASA NTRS2009

NEOCAM: Near Earth Object Chemical Analysis Mission: Bridging the Gulf between Telescopic Observations and the Chemical and Mineralogical Compositions of Asteroids or Diogenes A: Diagnostic Observation of the Geology of Near Earth Spectrally-Classified Asteroids

Studies of meteorites have yielded a wealth of scientific information based on highly detailed chemical and isotopic studies possible only in sophisticated terrestrial laboratories. Telescopic studies have revealed an enormous (greater than 10(exp 5)) number of physical objects ranging in size from a few tens of meters to several hundred kilometers, orbiting not only in the traditional asteroid belt between Mars and Jupiter but also throughout the inner solar system. Many of the largest asteroids are classed into taxonomic groups based on their observed spectral properties and are designated as C, D. X, S or V types (as well as a wide range in sub-types). These objects are certainly the sources far the meteorites in our laboratories, but which asteroids are the sources for which meteorites? Spectral classes are nominally correlated to the chemical composition and physical characteristics of the asteroid itself based on studies of the spectral changes induced in meteorites due to exposure to a simulated space environment. While laboratory studies have produced some notable successes (e.g. the identification of the asteroid Vesta as the source of the H, E and D meteorite classes), it is unlikely that we have samples of each asteroidal spectral type in our meteorite collection. The correlation of spectral type and composition for many objects will therefore remain uncertain until we can return samples of specific asteroid types to Earth for analyses. The best candidates for sample return are asteroids that already come close to the Earth. Asteroids in orbit near 1 A.U. have been classified into three groups (Aten, Apollo & Amor) based on their orbital characteristics. These Near Earth Objects (NEOs) contain representatives of virtually all spectral types and sub-types of the asteroid population identified to date. Because of their close proximity to Earth, NEOs are prime targets for asteroid missions such as the NEAR-Shoemaker NASA Discovery Mission to Eros and the Japanese Hyabusa Mission to Itokawa. Also due to their close proximity to Earth, NEOs constitute the most likely set of celestial objects that will impact us in the relatively near future.

Nuth, Joseph A.↗
DOE OSTI2025

A high-order computational framework for particle-resolved simulations of disperse multiphase flows

This work presents a high-order numerical approach for particle-resolved simulations of disperse multiphase flows, where the Navier-Stokes equations for fluid flow are solved using a high-order spectral element method in the Eulerian framework, and the particle phase is directly simulated with a discrete element method. The coupling between particles and fluids is explicitly handled using an adapted direct-forcing immersed boundary method. Unlike the conventional schemes, a high-order barycentric Lagrange interpolation method and a Gaussian projection kernel are used to ensure accurate momentum exchange between local boundary points and surrounding fluid nodes in the framework of high-order fluid solver. Benchmark tests of increasing complexity are conducted to demonstrate the accuracy and efficiency of our method. Here, it is found that our approach exhibits an excellent convergence performance, as the fluid element/grid is refined and the number of boundary points increases. Compared to conventional low-order methods, the proposed high-order framework enables the use of substantially larger fluid elements while maintaining high accuracy in modeling fluid-particle interactions, owing to the enhanced resolution of high-order basis functions. Moreover, since the primary unknowns are stored at element or grid nodes, the high-order approach offers improved efficiency in both CPU memory usage and total computational cost.

42 ENGINEERING↗
DOE OSTI2020

Decoding the 2D IR spectrum of the aqueous proton with high-level VSCF/VCI calculations

The aqueous proton is a common and long-studied species in chemistry, yet there is currently intense interest devoted to understanding its hydration structure and transport dynamics. Typically described in terms of two limiting structures observed in gas-phase clusters, the Zundel H 5 O 2 + and Eigen H 9 O 4 + ions, the aqueous structure is less clear due to the heterogeneity of hydrogen bonding environments and room-temperature structural fluctuations in water. The linear infrared (IR) spectrum, which reports on structural configurations, is challenging to interpret because it appears as a continuum of absorption, and the underlying vibrational modes are strongly anharmonically coupled to each other. Recent two-dimensional IR (2D IR) experiments presented strong evidence for asymmetric Zundel-like motifs in solution, but true structure–spectrum correlations are missing and complicated by the anharmonicity of the system. In this study, we employ high-level vibrational self-consistent field/virtual state configuration interaction calculations to demonstrate that the 2D IR spectrum reports on a broad distribution of geometric configurations of the aqueous proton. We find that the diagonal 2D IR spectrum around 1200 cm –1 is dominated by the proton stretch vibrations of Zundel-like and intermediate geometries, broadened by the heterogeneity of aqueous configurations. There is a wide distribution of multidimensional potential shapes for the proton stretching vibration with varying degrees of potential asymmetry and confinement. In conclusion, we find specific cross peak patterns due to aqueous Zundel-like species. These studies provide clarity on highly debated spectral assignments and stringent spectroscopic benchmarks for future simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Efficient Measurement-Driven Eigenenergy Estimation with Classical Shadows

Quantum algorithms exploiting real-time evolution under a target Hamiltonian have demonstrated remarkable efficiency in extracting key spectral information. However, the broader potential of these methods, particularly beyond ground-state calculations, is underexplored. In this work, we introduce the framework of multiobservable dynamic mode decomposition (MODMD), which combines the observable dynamic mode decomposition (DMD), a measurement-driven eigensolver tailored for near-term implementation, with classical shadow tomography. MODMD leverages random scrambling in the classical shadow technique to construct, with exponentially reduced resource requirements, a signal subspace that encodes rich spectral information. Notably, we replace typical Hadamard-test circuits with a protocol designed to predict low-rank observables, thereby broadening the use of classical shadow tomography for predicting many low-rank observables. We establish theoretical guarantees on the spectral approximation from MODMD, taking into account distinct sources of error. In the ideal case, we prove that the spectral error scales as exp (−Δ⁢𝐸⁢𝑡 max ), where Δ⁢𝐸 is the Hamiltonian spectral gap and 𝑡 max is the maximal simulation time. This analysis provides a rigorous justification of the rapid convergence observed across simulations. To demonstrate the utility of our framework, we consider its application to fundamental tasks, such as determining the low-lying, i.e., ground or excited, energies of representative many-body systems. Our work paves the path for efficient designs of measurement-driven algorithms on near-term and early fault-tolerant quantum devices.

quantum algorithms & computation↗
DOE OSTI2021

Random circuit block-encoded matrix and a proposal of quantum LINPACK benchmark

The LINPACK benchmark reports the performance of a computer for solving a system of linear equations with dense random matrices. Although this task was not designed with a real application directly in mind, the LINPACK benchmark has been used to define the list of TOP500 supercomputers since the debut of the list in 1993. We propose that a similar benchmark, called the quantum LINPACK benchmark, could be used to measure the whole machine performance of quantum computers. The success of the quantum LINPACK benchmark should be viewed as the minimal requirement for a quantum computer to perform a useful task of solving linear algebra problems, such as linear systems of equations. We propose an input model called the Random Circuit Block-Encoded Matrix (RACBEM), which is a proper generalization of a dense random matrix in the quantum setting. The RACBEM model is efficient to be implemented on a quantum computer and can be designed to optimally adapt to any given quantum architecture, with relying on a black-box quantum compiler. Besides solving linear systems, the RACBEM model can be used to perform a variety of linear algebra tasks relevant to many physical applications, such as computing spectral measures, time series generated by a Hamiltonian simulation, and thermal averages of the energy. We implement these linear algebra operations on IBM Q quantum devices as well as quantum virtual machines, and demonstrate their performance in solving scientific computing problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗