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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Dependent scattering and fractal microstructure determine the transparency of aerogel monoliths

This study reveals how dependent scattering and microstructure significantly affect electromagnetic wave propagation through aerogel monoliths, contributing to their transparency. Light scattering by particle ensembles is considered “dependent” when the scattering properties rely not only on particle size and optical constants but also on their spatial distribution, typically occurring when the average interparticle distance is small in comparison with the wavelength of incident radiation. Addressing dependent scattering requires solving Maxwell’s equations for complex heterogeneous structures, which is computationally demanding and usually limited to sample thicknesses on the same scale as the wavelength. This study combines computer-generated ambigel microstructures of fractal aggregates of polydisperse nanoparticles and the radiative transfer with reciprocal transaction method to predict the transmittance of thick ambigel slabs. Transmittance measurements of ambiently dried aerogel monoliths (ambigels) with porosities from about 50% to 90% closely matched the predicted values for their digital twins. However, ignoring dependent scattering or particle aggregation led to inaccurate predictions. This study validated the computational framework, and its findings offer insights for designing photonic metamaterials and analyzing their interactions with electromagnetic waves.

Yalcin, Refet A. (ORCID:0000000339973494)↗
DOE OSTI2021

Validity of Machine Learning in the Quantitative Analysis of Complex Scanning Near-Field Optical Microscopy Signals Using Simulated Data

Scattering-type scanning near-field optical microscope (s-SNOM) is a modern technique for subdiffractional optical imaging and spectroscopy. Over the past two decades, tremendous efforts have been devoted to modeling complex tip-sample interactions in s-SNOM, aimed at understanding the electrodynamics of materials at the nanoscale. However, due to complexities in analytical methods and the limited computation power for fully numerical simulations, compromises must be made to facilitate the modeling of tip-sample interaction, such as using quasistatic approximation or unrealistic tip geometries. Here, we apply a variety of widely utilized machine-learning methods, including k nearest neighbor and feedforward neural network etc. to study the phase-resolved spectroscopic near-field response. With only a small set of training data, which is simulated using the finite-dipole model, we demonstrate that the relation between the experimental near-field signal and sample optical constant can be one to one mapped without the need for tip modeling: for a given material with a moderate dielectric function, its complex near-field spectrum can be accurately determined within the mid-IR spectral range, and vice versa. Our preliminary study sets the stage for future exploration using real experimental data. Our method is beneficial for processing the increasing amount of data accumulated across many research groups and especially useful for user facilities such as synchrotron-based national laboratories where a large amount of data is generated on a daily basis.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A refraction correction for buried interfaces applied to in situ grazing-incidence X-ray diffraction studies on Pd electrodes

In situ characterization of electrochemical systems can provide deep insights into the structure of electrodes under applied potential. Grazing-incidence X-ray diffraction (GIXRD) is a particularly valuable tool owing to its ability to characterize the near-surface structure of electrodes through a layer of electrolyte, which is of paramount importance in surface-mediated processes such as catalysis and adsorption. Corrections for the refraction that occurs as an X-ray passes through an interface have been derived for a vacuum–material interface. In this work, a more general form of the refraction correction was developed which can be applied to buried interfaces, including liquid–solid interfaces. Furthermore, the correction is largest at incidence angles near the critical angle for the interface and decreases at angles larger and smaller than the critical angle. Effective optical constants are also introduced which can be used to calculate the critical angle for total external reflection at the interface. This correction is applied to GIXRD measurements of an aqueous electrolyte–Pd interface, demonstrating that the correction allows for the comparison of GIXRD measurements at multiple incidence angles. This work improves quantitative analysis of d-spacing values from GIXRD measurements of liquid–solid systems, facilitating the connection between electrochemical behavior and structure under in situ conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Reflectance of Silicon Photomultipliers at Vacuum Ultraviolet Wavelengths

Characterization of the vacuum ultraviolet (VUV) reflectance of silicon photomultipliers (SiPMs) is important for large-scale SiPM-based photodetector systems. In this work, we report the angular dependence of the specular reflectance in vacuum of SiPMs manufactured by Fondazionc Bruno Kessler (FBK) and Hamamatsu Photonics K.K. (HPK) over wavelengths ranging from 120 to 280 nm. Refractive index and extinction coefficient of the thin silicon-dioxide film deposited on the surface of the FBK SiPMs are derived from reflectance data of an FBK silicon wafer with the same deposited oxide film as SiPMs. The diffuse reflectance of SiPMs is also measured at 193 nm. We use the VUV spectral dependence of the optical constants to predict the reflectance of the FBK silicon wafer and FBK SiPMs in liquid xenon.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

High-Fidelity Energy Deposition Ignition Model Coupled with Flame Propagation Models at Engine-like Flow Conditions

With the heightened pressure on car manufacturers to increase the efficiency and reduce the carbon emissions of their fleets, more challenging engine operation has become a viable option. Highly dilute, boosted, and stratified charge, among others, promise engine efficiency gains and emissions reductions. At such demanding engine conditions, the spark-ignition process is a key factor for the flame initiation propagation and the combustion event. From a computational standpoint, there exist multiple spark-ignition models that perform well under conventional conditions but are not truly predictive under strenuous engine operation modes, where the underlying physics needs to be expanded. In this paper, a hybrid Lagrangian-Eulerian spark-ignition (LESI) model is coupled with different turbulence models, grid sizes, and combustion models. The ignition model, previously developed, relies on coupling Eulerian energy deposition with a Lagrangian particle evolution of the spark channel, at every time-step. The spark channel is attached to the electrodes and allowed to elongate at a speed derived from the flow velocity. The LESI model is used to simulate spark ignition in a nonquiescent crossflow environment at engine-like conditions, using converge commercial computational fluid dynamics (CFD) solver. The results highlight the consistency, robustness, and versatility of the model in a range of engine-like setups, from typical with Reynolds-averaged Navier-Stokes (RANS) and a larger grid size to high fidelity with large-eddy simulation (LES) and a finer grid size. The flame kernel growth is then evaluated against Schlieren images from an optical constant volume ignition chamber with a focus on the performance of flame propagation models, such as G-equation and thickened flame model, versus the baseline well-stirred reactor model. Finally, future development details are discussed.

Advanced ignition modeling↗
DOE OSTI2021

A novel approach to characterize the full spectrum and radiative properties of aerosols

Organic aerosols play a significant role in the absorption and radiative budget of the atmosphere, but current modeling approaches do not adequately capture the photo-chemical and oxidative bleaching that occurs during their lifetimes. Most climate models inaccurately assume constant optical properties of these particles, therefore leading to errors in their predictions. In this study we present an approach to better parameterize the optical properties of atmospheric aerosols, including brown carbon (BrC). Using thin-film spectrometry, the full spectrum of reflectivity and emissivity was used to calculate the complex refractive index for multiple species of organic aerosols. This is in contrast to previous techniques which only probe single wavelengths. Since BrC is a complex molecular mixture, we initially focused on single species absorption using four molecular surrogates. Dye-doped polyacrylic-acid thin-films were prepared on glass slides and compared to an aerosolized collection method. Verification of the collection method will open the door to characterizing the complex refractive index of smoke and ambient aerosol.

58 GEOSCIENCES↗
DOE OSTI2025

Novel Technology of Non-Contact Real-Time Radiation Damage Sensor for High Power Targets

High-power proton beams planned for forthcoming long-baseline neutrino experiments will subject solid targets to unprecedented radiation damage, threatening reliability and increasing costs. To address this challenge, we are building a real-time, non-contact sensor that tracks damage by measuring broadband laser reflectivity changes from the target surface. A low-power super-continuum Class 3B laser illuminates the sample inside a vacuum test chamber while a high-resolution fiber-coupled spectrometer captures S- and P-polarized light; spectral shifts reveal defect-driven variations in optical constants. My internship goal is to design, build, and commission this prototype by implementing a laser-safety interlock and light shield, integrating remote-operation cameras, and fabricating modular 3-D-printed mounts that enable tool-free swaps without disturbing alignment. The laser, spectrometer, and vacuum chamber have been delivered; interlock hardware, cameras, and mounts are in final assembly, and leak testing of the chamber is underway. Upcoming work will focus on initial calibration of the sensor and executing first beam-irradiation studies.

Pumarino, Rafael↗
DOE OSTI2026

LDRD FY25 Program Overview

As Lawrence Livermore National Laboratory’s (LLNL’s) Laboratory Directed Research and Development (LDRD) program enters its fifth decade of leading-edge research and development, its impact and importance have never been stronger. The program continues to advance strategic investments in pioneering science, technology, and engineering, ensuring LLNL will be ready to deliver on our mission as it evolves over the coming decades. Investing in LDRD research, and the people who perform this critical work, gives LLNL the ability to sustain our role as a leader in the Department of Energy and National Nuclear Security Administration enterprise. The LDRD program enables high-risk, high-payoff research that anticipates emerging threats and future mission needs. By nurturing the ingenuity of the Lab’s greatest asset, its people, LDRD funding advances not only our research but also grows and nurtures our workforce: engaging future innovators with student mentoring, challenging postdoctoral researchers to apply their skills to support national security, and strengthening the leadership skills of early career staff. This annual report documents how LDRD investments advance LLNL’s science, technology, and engineering across our mission space. To assess LDRD’s impact we track both short and long-term metrics such as peer-reviewed publications, number of students, or professional fellows. In addition to reviewing these metrics, I encourage you to delve deeper into the breadth of science and technology that illustrate the strategic value of this research portfolio. For instance, a recent exploratory research project used advanced manufacturing to construct miniaturized three-dimensional ion traps for a quantum computer with reduced quantum error rates to enable applications that address national security missions and support basic science. Another project has delved into studying detonation by examining deflagration to enhance the safety and security of the nuclear weapons stockpile. LDRD researchers are also deploying AI agents on two of the world’s most powerful supercomputers to automate and accelerate inertial confinement fusion experiments. Other teams are delivering more accurate optical constants to enable improved validation for aluminum to advance atomic and molecular physics models. LDRD-driven discoveries of how metals deform under extreme conditions strengthen our ability to model and design materials for demanding national security environments. National security challenges are increasingly complex and continuously evolving. LDRD focuses our most innovative science and technology on these challenges, ensuring the Laboratory is developing creative, forward-leaning solutions for our nation and the world. The following pages feature highlights of published scientific advances, patents, and honors that stem from LDRD investments. As you read this report, I hope you will understand how these investments position the Laboratory, and our partners, to meet the demands of the decades ahead.

36 MATERIALS SCIENCE↗
DOE OSTI2026

PNNL INFRARED REFRACTIVE INDEX (n/k) DATASET FOR SEVEN PAH SOLIDS AT ROOM TEMPERATURE

This dataset is an open-source repository of spectral data measured at Pacific Northwest National Laboratory (PNNL). This database provides quantitative values for the complex index of refraction for seven polycyclic aromatic hydrocarbon (PAH) solids. A list of the chemicals is available in the readme file. These spectra consist of the optical constants, i.e., the real, n(ν), and imaginary, k(ν), refractive indices, over the spectral range from 7,800 to 400 cm-1 (1.28 – 25 μm). The conditions under which the individual data were acquired are described in the associated metadata files, and the user is strongly encouraged to read and understand this information to ensure the data are used appropriately for your application. Recommended Citation for Dataset Jessica M Salcido, Jeremy D. Erickson, Ashley M. Bradley, Russell G. Tonkyn, Timothy J. Johnson and Tanya L. Myers. 2026. PNNL INFRARED REFRACTIVE INDEX (n/k) DATASET FOR SEVEN PAH SOLIDS AT ROOM TEMPERATURE. [Data Set] PNNL DataHub. INSERT DOI License Information This work is marked with CC0 1.0: https://creativecommons.org/publicdomain/zero/1.0/. The authors do request that you appropriately cite the dataset when referencing or using the dataset.

Salcido, Jessica Marie Ortola↗
NASA NTRS1972

Influence of temperature on the spectrum of water.

Measurement of the normal-incidence spectral reflectance of water at 5, 27, and 70 C in the spectral region between 5000 and 350 per cm. From the measured values of spectral reflectance the optical constants n sub r and n sub i are determined by Kramers-Kronig methods. The band strengths and bandwidths have been determined for the absorption bands near 3400, 1640, and 600 per cm at each temperature. A similar study of deuterium oxide at 27 C has been conducted for purposes of comparison.

Hale, G. M.↗
NASA NTRS1973

The Gaertner L119 ellipsometer and its use in the measurement of thin films

An introduction to the study of ellipsometry is presented, with special attention given to the Gaertner model L119 ellipsometer and the techniques of measuring thin films with this instrument. Values obtained from the ellipsometer are analyzed by a computer program for a determination of optical constants and thickness of the film.

Linkous, M.↗