Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Spectral simulations”

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 1,333 records · Page 74

On the Nature of the Compact Object in SS 433. Observational Evidence of X-Ray Photon Index Saturation

We present an analysis of the X-ray spectral properties observed from black hole , candidate (BHC) binary SS 433. We have analyzed Rossi X-ray Time Explorer (RXTE) data from this source, coordinated with Green Bank Interferometer/RATAN-600. We show that SS 433 undergoes a X-ray spectral transition from the low hard state (LHS) to the intermediate state (IS). We show that the X-ray broad-band energy spectra during all spectral states are well fit by a sum of so called "Bulk Motion Comptonization (BMC) component" and by two (broad and narrow) Gaussians for the continuum and line emissions respectively. In addition to these spectral model components we also find a strong feature that we identify as a" blackbody-like (BB)" component which color temperature is in the range of 4-5 keV in 24 IS spectra during the radio outburst decay in SS 433. Our observational results on the "high temperature BB" bump leads us to suggest the presence of gravitationally redshifted annihilation line emission in this source. In fact this spectral feature has been recently reproduced in Monte Carlo simulations by Laurent and Titarchuk. We have also established the photon index saturation at about 2.3 in index vs mass accretion correlation. This index-mass accretion correlation allows us to evaluate the low limit of black hole (BH) mass of compact object in SS 433, M(sub bh) approximately > 2 solar masses, using the scaling method using BHC GX 339-4 as a reference source. Our estimate of the BH mass in SS 433 is consistent with recent BH mass measurement using the radial-velocity measurements of the binary system by Hillwig & Gies who find that M(sub x)( = (4.3 +/- 0.8) solar masses. This is the smallest BH mass found up to now among all BH sources. Moreover, the index saturation effect versus mass accretion rate revealed in SS 433, like in a number of other BH candidates, is the strong observational evidence for the presence of a BH in SS 433.

Seifina, Elena↗

An Algorithm for the Retrieval of 30-m Snow-Free Albedo from Landsat Surface Reflectance and MODIS BRDF

We present a new methodology to generate 30-m resolution land surface albedo using Landsat surface reflectance and anisotropy information from concurrent MODIS 500-m observations. Albedo information at fine spatial resolution is particularly useful for quantifying climate impacts associated with land use change and ecosystem disturbance. The derived white-sky and black-sky spectral albedos maybe used to estimate actual spectral albedos by taking into account the proportion of direct and diffuse solar radiation arriving at the ground. A further spectral-to-broadband conversion based on extensive radiative transfer simulations is applied to produce the broadband albedos at visible, near infrared, and shortwave regimes. The accuracy of this approach has been evaluated using 270 Landsat scenes covering six field stations supported by the SURFace RADiation Budget Network (SURFRAD) and Atmospheric Radiation Measurement Southern Great Plains (ARM/SGP) network. Comparison with field measurements shows that Landsat 30-m snow-free shortwave albedos from all seasons generally achieve an absolute accuracy of +/-0.02 - 0.05 for these validation sites during available clear days in 2003-2005,with a root mean square error less than 0.03 and a bias less than 0.02. This level of accuracy has been regarded as sufficient for driving global and regional climate models. The Landsat-based retrievals have also been compared to the operational 16-day MODIS albedo produced every 8-days from MODIS on Terra and Aqua (MCD43A). The Landsat albedo provides more detailed landscape texture, and achieves better agreement (correlation and dynamic range) with in-situ data at the validation stations, particularly when the stations include a heterogeneous mix of surface covers.

Shuai, Yanmin↗

Numerical Study of Pressure Fluctuations due to High-Speed Turbulent Boundary Layers

Direct numerical simulations (DNS) are used to examine the pressure fluctuations generated by fully developed turbulence in supersonic turbulent boundary layers with an emphasis on both pressure fluctuations at the wall and the acoustic fluctuations radiated into the freestream. The wall and freestream pressure fields are first analyzed for a zero pressure gradient boundary layer with Mach 2.5 and Reynolds number based on momentum thickness of approximately 2835. The single and multi-point statistics reported include the wall pressure fluctuation intensities, frequency spectra, space-time correlations, and convection velocities. Single and multi-point statistics of surface pressure fluctuations show good agreement with measured data and previously published simulations of turbulent boundary layers under similar flow conditions. Spectral analysis shows that the acoustic fluctuations outside the boundary layer region have much lower energy content within the high-frequency region. The space-time correlations reflect the convective nature of the pressure field both at the wall and in the freestream, which is characterized by the downstream propagation of pressure-carrying eddies. Relative to those at the wall, the pressure-carrying eddies associated with the freestream signal are larger and convect at a significantly lower speed. The preliminary DNS results of a Mach 6 boundary layer show that the pressure rms in the freestream region is significantly higher than that of the lower Mach number case.

Duan, Lian↗

Simulated Lunar Surface Hydration Measurements using Multispectral Lidar at 3 µm

Accurately measuring the variability of spectroscopic signatures of hydration (H2O + OH) on the illuminated lunar surface at 3 µm as a function of latitude, lunar time of day, and composition is crucial to determining the generation and destruction mechanisms of OH species and understanding the global water cycle. A prime complication in analysis of the spectroscopic feature is the accurate removal of thermal emission, which can modify or even eliminate the hydration feature depending on the data processing methods used and assumptions made. An orbital multispectral lidar, with laser illumination at key diagnostic wavelengths, would provide uniform, zero-phase geometry, complete latitude and time of day coverage from a circular polar orbit, and is agnostic to the thermal state of the surface. We have performed measurement simulations of a four-wavelength multispectral lidar using spectral mixtures of hydrated mid-ocean ridge basalt (MORB) glasses and lunar regolith endmembers to assess the lidar performance in measuring hydration signatures on the lunar surface. Our results show a feasible system with wavelengths at 1.5 µm, 2.65 µm, 2.8 µm, and 3.1 µm can measure lunar hydration with a precision of 52 ppm (1σ) or better. These results, combined with the uniform measurement capabilities of multispectral lidar make it a valuable spectroscopic technique for elucidating mechanisms of OH/H2O generation, migration, and destruction.

D. R. Cremons↗

Rating PV Power and Energy: Cell, Module, and System Measurements

A summary of key points related to research-level measurements of current vs. voltage measurement theory including basic PV operation, equivalent circuit, and concept of spectral error; PV power performance including PV irradiance sensors, simulators and commercial and generic I-V systems; PV measurement artifacts, intercomparisons, and alternative rating methods.

14 SOLAR ENERGY↗

Real-time infrared spectroscopy coupled with blind source separation for nuclear waste process monitoring

On-line infrared absorbance spectroscopy enables rapid measurement of solution-phase molecular species. Many spectra-to-concentration models exist for spectral data, with some models able to handle overlapping spectral bands and nonlinearities. However, model accuracy is limited by the quality of training data used in model fitting. The process spectra of nuclear waste simulants at the Savannah River Site display incongruity between training and process spectra; the glycolate spectral signature in the training data does not match the glycolate signature in Savannah River National Laboratory process data. A novel blind source separation algorithm is proposed that preprocesses spectral data so that process spectra more closely resemble training spectra, thereby improving model quantification accuracy when unexpected sources of variation appear in process spectra. The novel blind source separation preprocessing algorithm is shown to improve nitrate quantification from an R 2 of 0.934 to 0.988 and from 0.267 to 0.978 in two instances analyzing nuclear waste simulants from the Slurry Receipt Adjustment Tank and Slurry Mix Evaporator cycle at the Savannah River Site.

Crouse, Steven H.↗

Characterization of the spectral phase of an intense laser at focus via ionization blueshift

An in situ diagnostic for verifying the spectral phase of an intense laser pulse at focus is shown. This diagnostic relies on measuring the effect of optical compression on ionization-induced blueshifting of the laser spectrum. Experimental results from the Berkeley Lab Laser Accelerator, a laser source rigorously characterized by conventional techniques, are presented and compared with simulations to illustrate the utility of this technique. These simulations show distinguishable effects from second-, third-, and fourth-order spectral phase.

47 OTHER INSTRUMENTATION↗

Thermal effects in molecular gas-filled hollow-core fibers

Few-cycle sources with high average powers are required for applications to attosecond science. Raman-enhanced spectral broadening of Yb-doped laser amplifiers in molecular gases can yield few-cycle pulses, but thermal excitation of vibrational and rotational degrees of freedom may preclude high-power operation. Here we investigate changes in the spectral broadening associated with repetitive laser interactions in an N 2 O -filled hollow-core fiber. By comparing experimental measurements of the spectrum associated with each laser pulse to simulations based on a density matrix model, we find that losses in a spectral bandwidth and transmission are largely dominated by thermal excitation of the gas.

Beetar, John E. (ORCID:000000032885852X)↗

On measuring the metallicity of a type ia supernova's progenitor

In Type Ia Supernovae (SNe Ia) the relative abundances of chemical elements are affected by the neutron excess in the composition of the progenitor white dwarf. Since these products leave signatures in the spectra near maximum light, spectral features may be used to constrain the composition of the progenitor. We calculate the nucleosynthetic yields for three SN Ia simulations, assuming single degenerate, Chandrasekhar-mass progenitors, for a wide range of progenitor metallicities, and calculate synthetic light curves and spectra to explore correlations between progenitor metallicity and the strength of spectral features. We use two two-dimensional simulations of the deflagration–detonation–transition scenario with different {sup 56}Ni yields and the W7 simulation to control for differences between explosion models and total yields. While the overall yields of intermediate-mass elements (16 < A ⩽ 40) differ between the three cases, trends in the yields are similar. With increasing metallicity, {sup 28}Si yields remain nearly constant, {sup 40}Ca yields decline, and Ti and {sup 54}Fe yields increase. In the synthetic spectra, we identify two features at 30 days post-explosion that appear to deepen with progenitor metallicity: a Ti feature around 4200 Å and an Fe feature around 5200 Å. In all three simulations, their pseudo equivalent widths show a systematic trend with progenitor metallicity. This suggests that these two features may allow for differentiation among progenitor metallicities of observed SNe Ia and potentially help to reduce the intrinsic Hubble scatter.

79 ASTRONOMY AND ASTROPHYSICS↗

Resolving turbulent magnetohydrodynamics: a hybrid operator-diffusion framework

We present a hybrid machine learning framework that combines physics-informed neural operators (PINOs) with score-based generative diffusion models to simulate the full spatio-temporal evolution of two-dimensional, incompressible, resistive magnetohydrodynamic turbulence across a broad range of Reynolds numbers (Re). The framework leverages the equation-constrained generalization capabilities of PINOs to predict coherent, low-frequency dynamics, while a conditional diffusion model stochastically corrects high-frequency residuals, enabling accurate modeling of fully developed turbulence. Trained on a comprehensive ensemble of high-fidelity simulations with Re ϵ {100, 250, 500, 750, 1000, 3000, 10000}, the approach achieves state-of-the-art accuracy in regimes previously inaccessible to deterministic surrogates. At Re = 1000 and 3000, the model faithfully reconstructs the full spectral energy distributions of both velocity and magnetic fields late into the simulation, capturing non-Gaussian statistics, intermittent structures, and cross-field correlations with high fidelity. At extreme turbulence levels (Re = 10 000), it remains the first surrogate capable of recovering the high-wavenumber evolution of the magnetic field, preserving large-scale morphology and enabling statistically meaningful predictions.

Diffusion-Integrated Neural Operators↗

Complementary bimodal approach to monitoring of photodynamic therapy with targeted nanoconstructs: numerical simulations

We propose a new approach to monitoring photodynamic therapy (PDT) of glioblastoma with the use of targeted nanoconstructs containing a photosensitiser (PS) [benzoporphyrin derivative (BPD)] and IRDye800 dye, antibodies for efficient accumulation of the drug in a tumour, and a chemotherapeutic agent for combined effect on tumour cells. Application of IRDye800 is determined by the shift of its absorption and fluorescence spectra to the near-IR range with respect to BPD that ensures a higher imaging depth. Monitoring of PDT is based on the simultaneous fluorescence and optoacoustic (OA) imaging. Fluorescence imaging provides visualisation of fluorescence agents with high molecular sensitivity and monitoring of the effectiveness of PDT by PS photobleaching. OA allows one to examine the vascular pattern of the tumour environment, as well as assess the depth of the tumour. IRDye800 is a better contrast agent in comparison to BPD due to red-shifted spectral characteristics and a higher fluorescence quantum yield. Monte Carlo simulations combined for OA simulations with K-wave modelling allowed the feasibility of the complementary approach to be studied and demonstrated that this combination allows one to localise a tumour with a size of 2 mm at depths from 100 μm to 2 mm. (paper)

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Tunable Spectral Ordering of Magnetic Plasmon Resonances in Noble Metal Nanoclusters

Experimental characterization of the optical and magnetic properties of noble metal nanoclusters has exposed a size regime in between single-ring and extended two-dimensional nanocluster networks where the behavior of magnetic plasmon resonances is not well understood. In this intermediate size regime, individual electric dipole plasmons on each nanoparticle within the cluster can hybridize into delocalized magnetic modes that couple to either the electric or magnetic field of light with seemingly arbitrary energy ordering. In this work, using a coupled-dipole model that includes fully retarded interactions between electric dipole plasmons, we show that magnetic plasmon resonance energies can be controllably tuned and even made to cross as a function of nanocluster size. Experimental confirmation of this prediction is challenging because optical selection rules dictate the simultaneous excitation of many spectrally overlapping magnetic plasmon modes. However, based on analytic modeling and numerical simulation, we show that angle-resolved cathodoluminescence offers an approach to cleanly isolate these magnetic modes and observe the size-dependence of their spectrum. Not only does our work clarify the rich optical and magnetic behavior of noble metal nanoclusters in the intermediate-size regime, but it also suggests strategies to design negative-index plasmonic metamaterials with multiple tunable resonances in the visible spectrum.

36 MATERIALS SCIENCE↗

Neutron spectroscopy for pulsed beams with frame overlap using a double time-of-flight technique

A new double time-of- ight (dTOF) neutron spectroscopy technique has been developed for pulsed broad spectrum sources with a duty cycle that results in frame overlap, where fast neutrons from a given pulse overtake slower neutrons from previous pulses. Using a tunable beam at the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory, neutrons were produced via thick-target breakup of 16 MeV deuterons on a beryllium target in the cyclotron vault. The breakup spectral shape was deduced from a dTOF measurement using an array of EJ-309 organic liquid scintillators. Simulation of the neutron detection efficiency of the scintillator array was performed using both GEANT4 and MCNP6. The efficiency- corrected spectral shape was normalized using a foil activation technique to obtain the energy-dependent flux of the neutron beam at zero degrees with respect to the incoming deuteron beam. The dTOF neutron spectrum was compared to spectra obtained using HEPROW and GRAVEL pulse height spectrum unfolding techniques. While the unfolding and dTOF results exhibit some discrepancies in shape, the integrated flux values agree within two standard deviations. As a result, this method obviates neutron time-of-flight spectroscopy challenges posed by pulsed beams

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Understanding cloud droplet spectral dispersion effect using empirical and semi-analytical parameterizations in NCAR CAM5.3

Five parameterizations of cloud droplet spectral shape are implemented in a global climate model to investigate the dispersion effect and aerosol indirect effect (AIE). We design a series of experiments by modifying the microphysical cloud scheme of NCAR CAM5.3 (Community Atmospheric Model Version 5.3). We employ four empirical (Martin94, RLiu03, PengL03, Liu08) and one semi-analytical (LiuLi15) expressions for cloud droplet spectral shape parameters. Analysis focuses on the instantaneous differences in the simulated cloud microphysical properties and the comparison between model output and satellite data. The results show that RLiu03, PengL03 and LiuLi15 produce wider droplet spectrum and faster autoconversion rate, but Liu08 has a narrower droplet spectrum and slower autoconversion rate than the default parameterization (Martin94) in CAM5.3. Global dispersion effects caused by the five parameterizations modify the aerosol indirect effect by -10% (counteract) to 13% (strengthen). The simulated AIEs and dispersion effects exhibit noticeably spatial inhomogeneity. In the sensitive regions of AIE (Southeast Asia, North Pacific and west coast of South America), we decompose the response of shortwave cloud forcing to the change in droplet number for analysis. The varying dispersion effects can be explained by different responses of cloud properties in different spectral parameterizations.

54 ENVIRONMENTAL SCIENCES↗

Multi-Spectral Cloud Property Retrieval

Despite numerous studies to retrieve cloud properties using infrared measurements the information content of the data has not yet been fully exploited. In an effort to more fully utilize the information content of infrared measurements, we have developed a multi-spectral technique for retrieving effective cloud particle size, optical depth and effective cloud temperature. While applicable to all cloud types, we begin by validating our retrieval technique through analysis of MS spectral radiances obtained during the SUCCESS field campaign over the ARM SGP CART facility, and compare our retrieval product with lidar and MODIS Airborne Simulator (MAS) measurement results. The technique is then applied to the Nimbus-4 MS infrared spectral measurements to obtain global cloud information.

Carlson, Barbara E.↗

ANOMALOUS TRANSPORT OF HIGH-ENERGY COSMIC RAYS IN GALACTIC SUPERBUBBLES. I. NUMERICAL SIMULATIONS

We present a simple continuous-time random-walk model for the transport of energetic particles accelerated by a collection of supernova explosions in a galactic superbubble, developed to simulate and highlight signatures of anomalous transport on the particles' evolution and their spectra in a multi-shock context. We assume standard diffusive shock acceleration (DSA) theory for each shock encounter. The superbubble (an OB stars association) is idealized as a heterogeneous region of particle sources and sinks bounded by a random surface. The model is based on two coupled stochastic differential equations and is applied for protons and alpha particles. Using characteristic values for a typical bubble, our simulations suggest that acceleration and transport in the bubble may be sub-diffusive. In addition, a spectral break in the particles' evolution and spectra is evident located at Almost-Equal-To 10{sup 15} eV for protons and Almost-Equal-To 3 Multiplication-Sign 10{sup 15} eV for alphas. Our simulations are consistent with a bubble's mean magnetic field strength of Almost-Equal-To 1 {mu}G and a shock separation distance {approx}0.1 Multiplication-Sign the characteristic radius of the bubble. The simulations imply that the diffusion coefficient (for the elementary shock acceleration process) is {approx}< 10{sup 27} cm{sup 2} s{sup -1} at 1 GeV/c. While the sub-diffusive transport is readily attributed to the stochastic nature of the acceleration time according to DSA theory, the spectral break appears to be an artifact of transport in a finite medium. These simulations point to a new and intriguing phenomenon associated with the statistical nature of collective acceleration of high-energy cosmic rays in galactic superbubbles.

79 ASTRONOMY AND ASTROPHYSICS↗

Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches

Simulating optical spectra in the condensed phase remains a challenge for theory due to the need to capture spectral signatures arising from anharmonicity and dynamical effects, such as vibronic progressions and their induced asymmetry. As such, numerous simulation methods have been developed that invoke different approximations and vary in their ability to capture different physical regimes. In this work, we use several models of chromophores in the condensed phase and ab initio molecular dynamics simulations to rigorously assess the applicability of methods to simulate optical absorption spectra. Specifically, we focus on the ensemble scheme, which can address anharmonic potential energy surfaces but relies on the applicability of extreme nuclear-electronic timescale separation; the Franck-Condon method, which includes dynamical effects but only at the harmonic level; as well as the recently introduced ensemble zero-temperature Franck-Condon approach, which straddles these limits. We also devote particular attention to the performance of methods derived from a cumulant expansion of the energy gap fluctuations and test the ability to approximate the requisite time correlation functions using classical dynamics with quantum correction factors. These results provide insights as to when these methods are applicable and able to capture the features of condensed phase spectra qualitatively and, in some cases, quantitatively across a range of regimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Origin of additional spectral features in modulated reflectance spectra of 2-dimensional semiconductor systems

High resolution photoreflectance (PR) spectroscopy study on a single GaAs/AlGaAs quantum well representing a two-dimensional (2D) system, shows additional distinct spectral features on the high energy side of the first confined heavy-hole and light-hole exciton transitions. The PR experiments involved a special dual detection technique which significantly improved the measurement sensitivity. Photoluminescence excitation spectroscopy data on the sample showed broadened step-like features around these energies. A detailed lineshape analysis, including first principles simulations, was performed to understand the origins of these additional PR spectral features. They are shown to arise primarily from inhomogeneously broadened first excited state transition of the excitons, rather than from a change in the joint density of states at the exciton continuum edge. The analysis suggests that such features are more likely in the case of 2D excitons as compared to 3D excitons in bulk material. Apart from its significance for post-growth characterization, identification of these additional PR features enables direct estimation of the exciton binding energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗