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NASA NTRS1991

Basic research in solar physics

This grant, dating back more than 20 years has supported a variety of investigations of the chromospheres and coronae of the Sun and related cool stars by the Principal Investigator, his postdocs and graduate students, and colleagues at other institutions. This work involved studies of radiative transfer and spectral line formation theory, and the application of these techniques to the analysis of spectra obtained from space and ground-based observatories in the optical, ultraviolet, x-ray and radio portions of the spectrum. Space observations have included the analysis of spectra from OSO-7, Skylab, SMM, and the HRTS rocket experiments. Recent work has concentrated on the interaction of magnetic fields, plasma and radiation in the outer atmospheres of the Sun and other magnetically active stars with different fundamental parameters. Our study of phenomena common to the Sun and stars, the 'solar-stellar connection', can elucidate the fundamental physics, because spatially-resolved observations of the Sun provide us with the 'groundtruth,' while interpretation of stellar data permit us to isolate those parameters critical to stellar activity. Recently, we have studied the differences in physical properties between solar regions of high magnetic flux density and the surrounding plasma. High-resolution CN and CO spectroheliograms have been used to model the thermal inhomogeneities driven by unstable CO cooling, and we have analyzed spatially resolved UV spectra from HRTS to model the thermal structure and energy balance of small-scale structures. The study of nonlinear relations between atmospheric radiative losses and the photospheric magnetic flux density has been continued. We have also proposed a new model for the decay of plages by random walk diffusion of magnetic flux. Our analysis of phenomena common to the Sun and stars included the application of available spectroscopic diagnostics, establishing evidence that the atmospheres of the least active stars are heated at a 'basal' rate that is also found in the centers of solar supergranules, and using the Doppler-imaging technique to measure the position, size, and brightness of stellar active regions. We are computing multi-component models for solar and stellar atmospheres, and models for coronal loops and for the transition-region down flows. The study of solar and stellar flares permits us to assess the role of turbulent energy transport, to pinpoint the mechanism behind Type I radio bursts, to determine whether plasma radiation or cyclotron maser is responsible for microwave flares on M dwarfs, and to extend our knowledge of the basic physics pertinent to cyclotron-maser processes operating on the Sun.

Linsky, Jeffrey L.↗
NASA NTRS2000

Capacity of Pulse-Position Modulation (PPM) on Gaussian and Webb Channels

This article computes the capacity of various idealized soft-decision channels modeling an optical channel using an avalanche photodiode detector (APD) and pulse-position modulation (PPM). The capacity of this optical channel depends in a complicated way on the physical parameters of the APD and the constraints imposed by the PPM orthogonal signaling set. This article attempts to identify and separate the effects of several fundamental parameters on the capacity of the APD-detected optical PPM channel. First, an overall signal-to-noise ratio (SNR) parameter is de ned such that the capacity as a function of a bit-normalized version of this SNR drops precipitously toward zero at quasi-brick-wall limits on bit SNR that are numerically the same as the well-understood brick-wall limits for the standard additive white Gaussian noise (AWGN) channel. A second parameter is used to quantify the effects on capacity of one unique facet of the optical PPM channel (as compared with the standard AWGN channel) that causes the noise variance to be higher in signal slots than in nonsignal slots. This nonuniform noise variance yields interesting capacity effects even when the channel model is AWGN. A third parameter is used to measure the effects on capacity of the difference between an AWGN model and a non-Gaussian model proposed by Webb (see reference in [2]) for approximating the statistics of the APD-detected optical channel. Finally, a fourth parameter is used to quantify the blending of a Webb model with a pure AWGN model to account for thermal noise. Numerical results show that the capacity of M-ary orthogonal signaling on the Webb channel exhibits the same brick-wall Shannon limit, (M ln 2)=(M 1), as on the AWGN channel ( 1:59 dB for large M). Results also compare the capacity obtained by hard- and soft-output channels and indicate that soft-output channels o er a 3-dB advantage.

Dolinar, S.↗
NASA NTRS2003

Gamma-ray Burst Energetics an the Gamma-ray Burst Hubble Diagram: Promises and Limitations

We present a complete sample of 29 gamma-ray bursts (GRBs) for which it has been possible to determine temporal breaks (or limits) from their afterglow light curves. We interpret these breaks within the framework of the uniform conical jet model, incorporating realistic estimates of the ambient density and propagating error estimates on the measured quantities. In agreement with our previous analysis of a smaller sample, the derived jet opening angles of those 16 bursts with redshifts result in a narrow clustering of geometrically corrected gamma-ray energies about 1.33 x 10(exp 51) ergs; the burst-to-burst variance about this value is 0.35 dex, a factor of 2.2. Despite this rather small scatter, we demonstrate in a series of GRB Hubble diagrams that the current sample cannot place meaningful constraints upon the fundamental parameters of the universe. Indeed, for GRBs to ever be useful in cosmographic measurements, we argue the necessity of two directions. First, GRB Hubble diagrams should be based upon fundamental physical quantities such as energy, rather than empirically derived and physically ill-understood distance indicators (such as those based upon prompt burst time-profiles and spectra). Second, a more homogeneous set should be constructed by culling subclasses from the larger sample. These subclasses, although now first recognizable by deviant energies, ultimately must be identifiable by properties other than those directly related to energy. We identify a new subclass of GRBs (" f-GRBs ") that appear both underluminous by factors of at least 10 and exhibit a rapid fading (f(sub nu is proportional to t(sup -2) at early times (t < or = 0.5 day). About 10%-20% of observed long-duration bursts appear to be f-GRBs.

Bloom, J. S.↗
NASA NTRS2018

HST/GHRS Observations of Cool, Low-Gravity Stars. VI. Mass-Loss Rates and Wind Parameters for M Giants

The photon-scattering winds of M giants absorb parts of the chromospheric emission lines and produce self-reversed spectral features in high-resolution Hubble Space Telescope (HST)/GHRS spectra. These spectra provide an opportunity to assess fundamental parameters of the wind, including flow and turbulent velocities, the optical depth of the wind above the region of photon creation, and the star’s mass-loss rate. This paper is the last paper in the series “GHRS Observations of Cool, Low-Gravity Stars”; the last several have compared empirical measurements of spectral emission lines with models of the winds and mass loss of K giants and supergiants. We have used the Sobolev with Exact Integration radiative transfer code, along with simple models of the outer atmosphere and wind, to determine and compare the wind characteristics of the two M-giant stars, gamma Cru (M3.5III) and mu Gem (M3IIIab), with previously derived values for low-gravity K-stars. The analysis specifies the wind parameters and calculates line profiles for the Mg II resonance lines, in addition to a range of unblended Fe II lines. Our line sample covers a large range of wind opacities and, therefore, probes a range of heights in the atmosphere. Our results show that mu Gem has a slower and more turbulent wind than gamma Cru. Also, mu Gem has a weaker chromosphere, in terms of surface flux, with respect to gamma Cru. This suggests that mu Gem is more evolved than gamma Cru. Comparing the two M giants in this work with previously studied K-giant and supergiant stars (alpha Tau, gamma Dra, and lambda Vel) reveals that the M giants have slower winds than the earlier giants, but exhibit higher mass-loss rates. Our results are interpreted in the context of the winds being driven by Alfvén waves.

chromospheric emission lines↗
NASA NTRS1989

Wavelet analysis introduction and application to radar scattering from water waves

Double-parameter expansions, leading to an instantaneous multiscale analysis, are used to obtain time-frequency graphs from time-series data for interpretation of scatterometer response to sea surface geometry. This method is used to define, as well as possible, one-dimensional signal input (elevation and slope). However, some important fundamental parameters, such as the asymmetric development of short scales in crests and troughs, the long-wave amplitude modulation, the different zero-crossings, and so forth, are easily extracted from the wavelet images.

Chapron, B.↗
NASA NTRS2004

Buckling Behavior of Long Anisotropic Plates Subjected to Elastically Restrained Thermal Expansion and Contraction

An approach for synthesizing buckling results for thin balanced and unbalanced symmetric laminates that are subjected to uniform heating or cooling and elastically restrained against thermal expansion or contraction is presented. This approach uses a nondimensional analysis for infinitely long, flexural anisotropic plates that are subjected to combined mechanical loads. In addition, stiffness-weighted laminate thermal-expansion parameters and compliance coefficients are derived that are used to determine critical temperatures in terms of physically intuitive mechanical-buckling coefficients. Many results are presented for some common laminates that are intended to facilitate a structural designer s transition to the use of the generic buckling design curves. Several curves that illustrate the fundamental parameters used in the analysis are presented, for nine contemporary material systems, that provide physical insight into the buckling response in addition to providing useful design data. Examples are presented that demonstrate the use of the generic design curves.

Nemeth, Michael P.↗
NASA NTRS2015

Improved Detection System Description and New Method for Accurate Calibration of Micro-Channel Plate Based Instruments and Its Use in the Fast Plasma Investigation on NASA's Magnetospheric MultiScale Mission

The Fast Plasma Investigation (FPI) on NASAs Magnetospheric MultiScale (MMS) mission employs 16 Dual Electron Spectrometers (DESs) and 16 Dual Ion Spectrometers (DISs) with 4 of each type on each of 4 spacecraft to enable fast (30 ms for electrons; 150 ms for ions) and spatially differentiated measurements of the full 3D particle velocity distributions. This approach presents a new and challenging aspect to the calibration and operation of these instruments on ground and in flight. The response uniformity, the reliability of their calibration and the approach to handling any temporal evolution of these calibrated characteristics all assume enhanced importance in this application, where we attempt to understand the meaning of particle distributions within the ion and electron diffusion regions of magnetically reconnecting plasmas. Traditionally, the micro-channel plate (MCP) based detection systems for electrostatic particle spectrometers have been calibrated using the plateau curve technique. In this, a fixed detection threshold is set. The detection system count rate is then measured as a function of MCP voltage to determine the MCP voltage that ensures the count rate has reached a constant value independent of further variation in the MCP voltage. This is achieved when most of the MCP pulse height distribution (PHD) is located at higher values (larger pulses) than the detection system discrimination threshold. This method is adequate in single-channel detection systems and in multi-channel detection systems with very low crosstalk between channels. However, in dense multi-channel systems, it can be inadequate. Furthermore, it fails to fully describe the behavior of the detection system and individually characterize each of its fundamental parameters. To improve this situation, we have developed a detailed phenomenological description of the detection system, its behavior and its signal, crosstalk and noise sources. Based on this, we have devised a new detection system calibration method that enables accurate and repeatable measurement and calibration of MCP gain, MCP efficiency, signal loss due to variation in gain and efficiency, crosstalk from effects both above and below the MCP, noise margin, and stability margin in one single measurement. More precise calibration is highly desirable as the instruments will produce higher quality raw data that will require less post-acquisition data correction using results from in-flight pitch angle distribution measurements and ground calibration measurements. The detection system description and the fundamental concepts of this new calibration method, named threshold scan, will be presented. It will be shown how to derive all the individual detection system parameters and how to choose the optimum detection system operating point. This new method has been successfully applied to achieve a highly accurate calibration of the DESs and DISs of the MMS mission. The practical application of the method will be presented together with the achieved calibration results and their significance. Finally, it will be shown that, with further detailed modeling, this method can be extended for use in flight to achieve and maintain a highly accurate detection system calibration across a large number of instruments during the mission.

detection system↗
NASA NTRS2002

Buckling Behavior of Long Anisotropic Plates Subjected to Elastically Restrained Thermal Expansion

An approach for synthesizing buckling results for, and behavior of, thin balanced and unbalanced symmetric laminates that are subjected to uniform heating or cooling and elastically restrained against thermal expansion or contraction is presented. This approach uses a nondimensional analysis for infinitely long, flexurally anisotropic plates that are subjected to combined mechanical loads and is based on useful nondimensional parameters. In addition, stiffness-weighted laminate thermal-expansion parameters and compliance coefficients are derived that are used to determine critical temperatures in terms of physically intuitive mechanical-buckling coefficients. The effects of membrane orthotropy and membrane anisotropy are included in the general formulation. Many results are presented for some common laminates that are intended to facilitate a structural designer's transition to the use of generic buckling design curves. Several curves that illustrate the fundamental parameters used in the analysis are presented, for nine contemporary material systems, that provide physical insight into the buckling response in addition to providing useful design data. Examples are presented that demonstrate the use of generic design curves. The analysis approach and generic results indicate the effects and characteristics of elastically restrained laminate thermal expansion or contraction, membrane orthotropy and anisotropy, and flexural orthotropy and anisotropy in a very general and unifying manner.

Nemeth, Michael P.↗
DOE OSTI2024

Perspectives for Measuring Neutrino Cross-Sections at Short Baseline Detectors (ICARUS and DUNE-PRISM-like Detector) and Their Implications for Precision Physics

Neutrino physics is rapidly advancing with current and future experiments promising high-statistics data, enabling unprecedented accuracy in measuring Standard Model (SM) parameters and providing crucial insights into neutrino-nucleus interactions. The ICARUS experiment, utilizing LAr TPC technology, is pivotal in this growth. As the far detector of the SBN program at Fermilab, ICARUS is set to investigate the neutrino anomalies observed in LSND and MiniBooNE and prepare for future long-baseline experiments like DUNE. Positioned along the BNB and 5.75°off-axis from the NuMI beamline, ICARUS benefits from numerous neutrino interactions, allowing for precise neutrino-argon nucleus cross-section measurements, which will benchmark future DUNE measurements. This work presents the prospects and progress in measuring the cross-section of the NuMI νµ CC inclusive channel in the ICARUS experiment. High-statistics data will also enable precise determinations of fundamental parameters like the weak mixing angle and the neutrino charge radius (NCR), crucial for testing the SM and exploring potential new physics. This work includes studies of future near detectors, such as DUNE-PRISM, which are sensitive to radiative corrections in neutrino-electron scattering. The DUNE-PRISM configuration allows for the analysis of different neutrino energy spectra, promising accurate NCR measurements with controlled systematic uncertainties.

Moreno-Granados, Guadalupe↗
DOE OSTI2025

Investigating the relationship between simulation parameters and flow variables in simulating atmospheric gravity waves for wind energy applications

Wind farms, particularly offshore clusters, are becoming larger than ever before. Besides influencing the surface wind flow and the inflow for downstream wind farms, large wind farms can trigger atmospheric gravity waves in the inversion layer and the free atmosphere aloft. Wind-farm-induced gravity waves can cause adverse pressure gradients upstream of the wind farm, which contribute to the global blockage effect, and can induce favorable pressure gradients above and downstream of the wind farm that enhance wake recovery. Numerical modeling is a powerful means of studying these wind-farm-induced atmospheric gravity waves, but it comes with the challenge of handling spurious reflections of these waves from domain boundaries. Typically, approaches which employ radiation boundary conditions and forcing zones are used to avoid these reflections. However, the simulation setup of these approaches relies heavily on ad hoc processes. For instance, the widely used Rayleigh damping method requires ad hoc tuning to produce a setup that may only produce satisfactory results for a particular case. To provide more systematic guidance on setting up realistic simulations of atmospheric gravity waves, we conduct a large-eddy simulation (LES) study of flow over a 2D hill and through a wind farm canopy that explores the optimum domain size and damping layer setup depending on the fundamental parameters which determine the flow characteristics. In this work, we only consider linearly stratified conditions (i.e., no inversion layer), thereby focusing on internal gravity waves in the free atmosphere and their reflections from the domain boundaries. This type of flow is governed by a single Froude number, which dictates most of the internal wave properties, such as wavelength, amplitude, and direction. This, in turn, will dictate the optimum domain size and Rayleigh damping layer setup. We find the effective horizontal and vertical wavelengths (the representative wavelengths of the entire wave spectrum) to be the appropriate length scales to size the domain and damping layer thickness, and the optimal Rayleigh damping coefficient scales with the Brunt–Väisälä frequency. Considering Froude numbers seen in wind farm applications, we propose recommendations to limit the reflections to less than 10 % of the total upward-propagating wave energy. Typically, damping is done at the top boundary, but given the non-periodic lateral boundary conditions of practical wind farm simulation domains, we find that damping the inflow–outflow boundaries is of equal importance to damping the top boundary. The Brunt–Väisälä frequency-normalized damping coefficient should be between 1 and 10. The damping layer thickness should be at least one effective vertical wavelength; damping layers exceeding 1.5 times the vertical wavelength are found to be unnecessary. The domain length and height should accommodate at least one effective horizontal and vertical wavelength, respectively. Moreover, Rayleigh damping does not damp the waves completely, and the non-damped energy might accumulate over the simulation time.

17 WIND ENERGY↗
NASA NTRS2017

The HITRAN2016 Molecular Spectroscopic Database

This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is composed of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 300 additional molecules important in different areas of atmospheric science have been added to the database. The compilation can be accessed through www.hitran.org. Most of the HITRAN data have now been cast into an underlying relational database structure that offers many advantages over the long-standing sequential text-based structure. The new structure empowers the user in many ways. It enables the incorporation of an extended set of fundamental parameters per transition, sophisticated line-shape formalisms, easy user-defined output formats, and very convenient searching, filtering, and plotting of data. A powerful application programming interface making use of structured query language (SQL) features for higher-level applications of HITRAN is also provided.

HITRAN↗
NASA NTRS1996

On the Capabilities of Using AIRSAR Data in Surface Energy/Water Balance Studies

The capabilities of using remote sensing data, and in particular multifrequency/multipolarization SAR data, like AIRSAR, for the retrieval of surface parameters, depend considerably on the specificity of each application. The potentials, and limitations, of SAR data in ecological investigations are well known. Because the chemistry is a major component in such studies and because of the almost lacking chemical information at the wavelengths of SAR data, the capabilities of using SAR-derived information in such studies are considerably limited. However, in the case of surface energy/water balance studies, the determination of the amount of water content, both in the soil and in the plants, is a major component in all modeling approaches. As the information about water content is present in the SAR signal, then the role of SAR data in studies where water content is to be determined becomes clearly predominant. Another situation where the role of SAR data becomes dominant over other remote sensing systems is the case of dense canopies. Because of the penetration capabilities of microwave data, which is especially superior as compared to optical data, information about the canopy as a whole and even the underlying soil is contained in the SAR data, while only the top canopy provides the information content in the case of optical data. In the case of relatively dense canopies, as has been demonstrated in this study, such different penetration capabilities provide very different results in terms of the derived total canopy water content, for instance. However, although all such capabilities are well known, unfortunately there are also well known limitations. Apart from calibration-related aspects (that we will not consider in this study), and apart from other intrinsic problems (like image noise, topographic corrections, etc.) which also significantly affect the derived results, we will concentrate on the problem of extracting information from the data. Even at this level, methods are still not fully well established, especially over vegetation-covered areas. In this paper, an algorithm is described which allows derivation of three fundamental parameters from SAR data: soil moisture, soil roughness and canopy water content, accounting for the effects of vegetation cover by using optical (Landsat) data as auxiliary. Capabilities and limitations of the data and algorithms are discussed, as well as possibilities to use these data in energy/water balance modeling studies. All the data used in this study were acquired as part of the Intensive Observation Period in June-July 1991 (European Multisensor Aircraft Campaign-91), as part of the European Field Experiment in a Desertification- threatened Area (EFEDA), a European contribution to the global-change research sponsored by the IGBP program (Bolle et al., 1993).

Moreno, Jose F.↗
DOE OSTI2024

Combination of Counterion Size and Doping Concentration Determines the Electronic and Thermoelectric Properties of Semiconducting Polymers

In both chemical and electrochemical doping of organic semiconductors (OSCs), a counterion, either from the electrolyte or ionized dopant, balances the charge introduced to the OSC. Despite the large influence of this counterion on OSC optical and electronic response, there remains substantial debate on how a fundamental parameter, ion size, impacts these properties. Here, this work resolves much of this debate by accounting for two doping regimes. In the low-doping regime, the Coulomb binding energies between charge carriers on the OSC and the counterions are significant, and larger counterions lead to decreased Coulomb interactions, more delocalized charge carriers, and higher electrical conductivities. In the high-doping regime, the Coulomb binding energies become negligible due to the increased dielectric constant of the films and a smoothing of the energy landscape; thereby, the electrical conductivities depend primarily on the extent of morphological disorder in the OSC. Moreover, in regioregular poly(3-hexylthiophene), rr-P3HT, smaller counterions lead to greater bipolaron concentrations in the low-doping regime due to the increased Coulomb interactions. Emphasizing the impact of the counterion size, it is shown that larger counterions can lead to increased thermoelectric power factors for rr-P3HT.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Theoretical modeling of a bottom-raised oscillating surge wave energy converter structural loadings and power performances

Here, this study presents theoretical formulations to evaluate the fundamental parameters and performance characteristics of a bottom-raised oscillating surge wave energy converter (OSWEC) device. Employing a flat plate assumption and potential flow formulation in elliptical coordinates, closed-form equations for the added mass, radiation damping, and excitation forces/torques in the relevant pitch-pitch and surge-pitch directions of motion are developed and used to calculate the system's response amplitude operator and the forces and moments acting on the foundation. The model is benchmarked against numerical simulations using WAMIT and WEC-Sim, showcasing excellent agreement. The sensitivity of plate thickness on the analytical hydrodynamic solutions is investigated over several thickness-to-width ratios ranging from 1:80 to 1:10. The results show that as the thickness of the benchmark OSWEC increases, the deviation of the analytical hydrodynamic coefficients from the numerical solutions grows from 3% to 25%. Differences in the excitation forces and torques, however, are contained within 12%. While the flat plate assumption is a limitation of the proposed analytical model, the error is within a reasonable margin for use in the design space exploration phase before a higher-fidelity (and thus more computationally expensive) model is employed. A parametric study demonstrates the ability of the analytical model to quickly sweep over a domain of OSWEC dimensions, illustrating the analytical model's utility in the early phases of design.

13 HYDRO ENERGY↗
DOE OSTI2025

Lithography-Defined Semiconductor Moirés with Anomalous In-Gap Quantum Hall States

Quantum materials and phenomena have attracted great interest for their potential applications in next-generation microelectronics and quantum-information technologies. In one especially interesting class of quantum materials, moiré superlattices (MSLs) formed by twisted bilayers of 2D materials, a wide range of novel phenomena are observed. However, there exist daunting challenges such as reproducibility and scalability of utilizing 2D MSLs for microelectronics and quantum technologies due to their exfoliate-tear-stack method. Here, we propose lithography-defined semiconductor MSLs, in which three fundamental parameters electron−electron interaction, spin−orbit coupling, and band topology are designable. We experimentally investigate quantum-transport properties in a moiré specimen made in an InAs quantum well. Strong anomalous in-gap states are observed within the same integer quantum Hall state. Our work opens up new horizons for studying 2D quantum-materials phenomena in semiconductors featuring superior industry-level quality and state-of-the-art technologies, and they may potentially enable new quantum-information and microelectronics technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Nanocrystal Geometry Governs Phase Transformation Pathways in Palladium Hydride

Pathways and structural dynamics of phase transformations impact performance of materials in energy and information storage technologies. Palladium hydride (PdH x ) nanocrystals are an ideal model system for studying solute-induced phase transformations, where elastic energy from lattice mismatch between α-PdH x and β-PdH x phases is often considered a key to determining the transformation pathways. α/β-PdH x interfacial elastic energy is affected by the confined geometry of a nanocrystal. However, how nanocrystal geometry influences phase transformation pathways is largely unknown. Using in situ liquid phase transmission electron microscopy, we directly visualize hydrogenation in Pd nanocrystals with two geometries, a nanocube and a hexagonal nanoplate. Both follow similar sequences of an initially curved nucleus, interface flattening, and reverse-stage nucleation; however, their evolving α/β-PdH x interfaces exhibit geometry-dependent crystallographic alignments. In nanocubes, {100}-aligned configurations conform to static elastic energy ordering, representing a pathway that maintains a local mechanical equilibrium, whereas nanoplates display both {110}- and {211}-aligned interfaces. Theoretical simulations show that geometry determines the accessibility of alternative phase transformation pathways as the system is driven far from equilibrium during hydrogenation. In conclusion, these findings identify geometry as a fundamental parameter for directing phase transformation pathways, offering design principles for accessing atypical configurations and improving properties of intercalation-based devices.

Lee, Daewon [Lawrence Berkeley National Laboratory↗
DOE OSTI2025

Imaging solvated oxygen atoms with a femtosecond laser

As a powerful oxidant, atomic oxygen (O) holds considerable promise for a variety of biomedical and industrial applications. However, the inability to quantify solvated oxygen atoms has prevented the determination of the fundamental parameters governing its behaviour in relevant aqueous environments. Here, we directly image ground-state oxygen atoms in water using femtosecond two-photon absorption laser-induced fluorescence. Measurements show that oxygen atoms persist for tens of microseconds in water, penetrating hundreds of micrometres into the liquid. This observed longevity has significant implications, suggesting a need to re-evaluate existing models of solvated atomic oxygen reactivity and transport. Beyond atomic oxygen, this technique is broadly applicable to other solvated atomic species of interest, including nitrogen (N) and hydrogen (H). This work establishes that radical atomic species can be quantified in liquid with ultrafast laser spectroscopy, providing the basis for the determination of key properties including reaction rates, chemical lifetimes, and Henry’s law constants.

Fluorescence spectroscopy↗
DOE OSTI2025

Biobased chemical recycling: aminolysis of PET using renewable reagents and monomers to synthesize new semi-aromatic polyamides

Chemical recycling of PET is a method of depolymerizing polymer chains to monomeric components enabling the synthesis of second-generation materials with virgin-like quality. Commercial chemical recycling techniques rely upon high pressure methanolysis to create precursors capable of synthesizing a second-generation PET resin. However, despite the circular approach of methanolysis, a product with a very short lifespan and similar value is created. The approach of the current study is to utilize aminolysis as an ambient pressure technique to create precursors for higher value materials with longer lifespans to address the current crisis in plastic waste. Semi-aromatic polyamides (SAP) are desired in this circumstance because of their high melting point and heat resistance combined with good melt-processability similar to aliphatic polyamides. In this study SAPs were synthesized using precursors recovered from the aminolysis of PET employing biobased diamines and dicarboxylic acids. While aminolysis has been explored in previous studies, this work investigated the use of biobased components from castor oil: decamethylene diamine during recycling and sebacic acid during polymerization. Polymer synthesis resulted in the formation of SAPs similar to polyphthalamides (PPA) with novel structures given the aromatic portion from terephthalic acid (TPA) and aliphatic portion from the diamines and diacids. The synthesized materials exhibited excellent thermal stability with high glass transition temperatures. Novel polymers were created with varying aliphatic chain length to understand fundamental parameters needed to produce a valuable polymer from post-consumer waste.

High performance Applications↗