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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

J-PLUS: Spectral evolution of white dwarfs by PDF analysis

We estimated the spectral evolution of white dwarfs with effective temperature using the Javalambre Photometric Local Universe Survey (J-PLUS) second data release (DR2), which provides 12 photometric optical passbands over 2176 deg 2 . We analyzed 5926 white dwarfs with r ≤ 19.5 mag in common between a white dwarf catalog defined from Gaia EDR3 and J-PLUS DR2. We performed a Bayesian analysis by comparing the observed J-PLUS photometry with theoretical models of hydrogen- and helium-dominated atmospheres. We estimated the probability distribution functions for effective temperature (T eff ), surface gravity, parallax, and composition; and the probability of having a H-dominated atmosphere (p H ) for each source. We applied a prior in parallax, using Gaia EDR3 measurements as a reference, and derived a self-consistent prior for the atmospheric composition as a function of T eff . We described the fraction of white dwarfs with a He-dominated atmosphere (f He ) with a linear function of the effective temperature at 5000 < T eff < 30 000 K. We find f He = 0.24 ± 0.01 at T eff = 10 000 K, a change rate along the cooling sequence of 0.14 ± 0.02 per 10 kK, and a minimum He-dominated fraction of 0.08 ± 0.02 at the high-temperature end. We tested the obtained p H by comparison with spectroscopic classifications, finding that it is reliable. We estimated the mass distribution for the 351 sources with distance d < 100 pc, mass M > 0.45 M ⊙ , and T eff > 6000 K. The result for H-dominated white dwarfs agrees with previous studies, with a dominant M = 0.59 M ⊙ peak and the presence of an excess at M ~ 0.8 M ⊙ . This high-mass excess is absent in the He-dominated distribution, which presents a single peak. The J-PLUS optical data provide a reliable statistical classification of white dwarfs into H- and He-dominated atmospheres. We find a 21 ± 3% increase in the fraction of He-dominated white dwarfs from T eff = 20 000 K to T eff = 5000 K.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Properties of acoustic sources in the Sun

The power spectrum of solar acoustic oscillations shows peaks extending out to frequencies much greater than the acoustic cutoff frequency of approximately 5.3 mHz, where waves are no longer trapped. Kumar & Lu (1991) proposed that these peaks arise from the interference of traveling waves which are generated by turbulent convection. According to this model, the frequencies of the peaks in the power spectrum depend on the static structure of the Sun as well as the radial location of the sources. Kumar & Lu used this idea to determine the depth of the acoustic sources. However, they ignored dissipative effects and found that the theoretically computed power spectrum was falling off much more rapidly than the observed spectrum. In this paper, we include the interaction of radiation with acoustic waves in the computation of the power spectrum. We find that the theoretically calculated power spectra, when radiative damping is included are in excellent agreement with the observed power spectra over the entire observed frequency range of 5.3 to 7.5 mHz above the acoustic cutoff frequency. Moreover, by matching the peak frequencies in the observed and theoretical spectra we find the mean depth of acoustic sources to be 140 +/- 60 km below the photosphere. We show that the spectrum of solar turbulence near the top of the solar convection zone is consistent with the Kolmogorov spectrum, and that the observed high frequency power spectrum provides strong evidence that the acoustic sources in the Sun are quadrupolar. The data, in fact, rules out dipole sources as significant contributors to acoustic wave generation in the Sun. The radial extent of the sources is poorly determined and is estimated to be less than about 550 km.

Kumar, Pawan↗
DOE OSTI2021

Projected Seismic Activity at the Tiger Stripe Fractures on Enceladus, Saturn, From an Analog Study of Tidally Modulated Icequakes Within the Ross Ice Shelf, Antarctica

Abstract Dissipation of tidal energy is expected to generate seismicity on icy‐ocean worlds; however, the distribution and timing of this seismic activity throughout an orbital cycle is not known. We used new observations from an icy‐ocean‐world analog environment on Earth to examine the relationship between tidally driven tensile stress and seismic activity within an ice shell. We investigated a pair of rifts within Antarctica's Ross Ice Shelf which are tidally stressed in a manner analogous to the orbital cycle of tidal stress experienced by Enceladus' Tiger Stripe Fractures. We found that seismic activity at the Antarctic rifts is sensitive to both the amplitude and the rate of tensile stress across the rifts. We combined these findings with calculated stress values along Enceladus' Tiger Stripe Fractures to predict seismic‐activity levels expected along the ice‐shell fractures. We predict a peak in seismicity along the four Tiger Stripe Fractures when Enceladus is 90°–120° past pericenter in its orbit around Saturn, at which point tensile stresses would reach ∼2/3 of their maximum value. We also used the magnitude distribution of icequakes along Antarctic rifts to investigate implications for the likely size of stick‐slip rupture patches along icy faults on Enceladus. Our findings predict that the Tiger Stripe Fractures should produce sustained, low‐magnitude seismic events that involve rupture along discrete portions of each fracture's total length. We predict that seismicity would fall to 50% of peak levels when stresses across the Tiger Stripe Fractures are dominantly compressional.

Olsen, Kira G.↗
DOE OSTI2020

Spectral fluctuations in the Sachdev-Ye-Kitaev model

We present a detailed quantitative analysis of spectral correlations in the Sachdev-Ye-Kitaev (SYK) model. We find that the deviations from universal Random Matrix Theory (RMT) behavior are due to a small number of long-wavelength fluctuations (of the order of the number of Majorana fermions N ) from one realization of the ensemble to the next one. These modes can be parameterized effectively in terms of Q-Hermite orthogonal polynomials, the main contribution being due to scale fluctuations for which we give a simple analytical estimate. Our numerical results for N = 32 show that only the lowest eight polynomials are needed to eliminate the nonuniversal part of the spectral fluctuations. The covariance matrix of the coefficients of this expansion can be obtained analytically from low-order double-trace moments. We evaluate the covariance matrix of the first six moments and find that it agrees with the numerics. We also analyze the spectral correlations in terms of a nonlinear σ-model, which is derived through a Fierz transformation, and evaluate the one and two-point spectral correlation functions to two-loop order. The wide correlator is given by the sum of the universal RMT result and corrections whose lowest-order term corresponds to scale fluctuations. However, the loop expansion of the σ-model results in an ill-behaved expansion of the resolvent, and it gives universal RMT fluctuations not only for q= 4 or higher even q-body interactions, but also for the q= 2 SYK model albeit with a much smaller Thouless energy while the correct result in this case should have been Poisson statistics. In our numerical studies we analyze the number variance and spectral form factor for N = 32 and q = 4. We show that the quadratic deviation of the number variance for large energies appears as a peak for small times in the spectral form factor. After eliminating the long-wavelength fluctuations, we find quantitative agreement with RMT up to an exponentially large number of level spacings for the number variance or exponentially short times in the case of the spectral form factor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

The Galactic Distribution of Phosphorus: A Survey of 163 Disk and Halo Stars*

Phosphorus (P) is a critical element for life on Earth, yet the cosmic production sites of P are relatively uncertain. To understand how P has evolved in the solar neighborhood, we measured abundances for 163 FGK stars over a range of –1.09 < [Fe/H] < 0.47 using observations from the Habitable-zone Planet Finder instrument on the Hobby–Eberly Telescope. Atmospheric parameters were calculated by fitting a combination of astrometry, photometry, and Fe I line equivalent widths. Phosphorus abundances were measured by matching synthetic spectra to a P I feature at 10529.52 Å. Our [P/Fe] ratios show that chemical evolution models generally underpredict P over the observed metallicity range. Additionally, we find that the [P/Fe] differs by ~0.1 dex between thin disk and thick disk stars that were identified with kinematics. The P abundances were compared with α-elements, iron-peak, odd-Z, and s-process elements, and we found that the evolution of P in the disk most strongly resembles that of the α-elements. We also find that molar P/C and N/C ratios for our sample match the scatter seen from other abundance studies. Finally, we measure a [P/Fe] = 0.09 ± 0.1 ratio in one low-α halo star and probable Gaia–Sausage–Enceladus member, an abundance ratio ~0.3–0.5 dex lower than the other Milky Way disk and halo stars at similar metallicities. Overall, we find that P is likely most significantly produced by massive stars in core-collapse supernovae, based on the largest P abundance survey to date.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Disentangling the Distant Stellar Halo Using K Giants in DESI Year 3 Data

We present a sample of 88,959 K giants from Dark Energy Spectroscopic Instrument Milky Way Survey Year 3 data, which we use to characterize the chemo-dynamical properties of the stellar halo at Galactocentric distances of 12 to ∼100 kpc. Using HDBSCAN, we identify five prominent stellar halo substructures: Aleph, the Sagittarius stream, Gaia-Sausage-Enceladus (GSE), Cetus-Palca, and the Orphan–Chenab stream. We present the properties of each of these structures as they appear in our catalog, and examine how uncertainties on distance affect the characterization of substructure with this approach. We also examine regions associated with previously reported overdensities (such as the Virgo Overdensities and the Sagittarius spur) that we do not recover with HDBSCAN. The size and distance range of our catalog allows us to explore in detail the residual stellar halo, comprising stars that we do not associate with any substructure. We find that samples of ∼2000 outer halo stars with both highly prograde and highly retrograde angular momenta have similar metallicity distribution functions (MDFs), which do not resemble the MDFs of either GSE or Sagittarius. Both the prograde and retrograde residual halo MDFs are bimodal, with a metal-poor peak at [Fe/H] ∼ −2 and a metal-rich peak at [Fe/H] ∼ −1.3 (prograde) or −1.5 (retrograde). The MDF for lower-angular-momentum residual halo K giants does not show clear evidence for a metal-poor peak, and broadly resembles the MDF of GSE, even at much lower binding energies than GSE itself. We discuss possible interpretations of these findings for GSE accretion scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Lyman-α transmission properties of the intergalactic medium in the CoDaII simulation

ABSTRACT The decline in abundance of Lyman-α (Lyα) emitting galaxies at z ≳ 6 is a powerful and commonly used probe to constrain the progress of cosmic reionization. We use the CoDaII simulation, which is a radiation hydrodynamic simulation featuring a box of ∼94 comoving Mpc side length, to compute the Lyα transmission properties of the intergalactic medium (IGM) at z ∼ 5.8 to 7. Our results mainly confirm previous studies, i.e. we find a declining Lyα transmission with redshift and a large sightline-to-sightline variation. However, motivated by the recent discovery of blue Lyα peaks at high redshift, we also analyse the IGM transmission on the blue side, which shows a rapid decline at z ≳ 6 of the blue transmission. This low transmission can be attributed not only to the presence of neutral regions but also to the residual neutral hydrogen within ionized regions, for which a density even as low as $n_{\rm HI}\sim 10^{-9}\, \mathrm{cm}^{-3}$ (sometimes combined with kinematic effects) leads to a significantly reduced visibility. Still, we find that $\sim 1{{\ \rm per\ cent}}$ of sightlines towards M1600AB ∼ −21 galaxies at z ∼ 7 are transparent enough to allow a transmission of a blue Lyα peak. We discuss our results in the context of the interpretation of observations.

Gronke, Max (ORCID:000000032491060X)↗
NASA NTRS1997

New Research by CCD Scanning for Comets and Asteroids

The purpose of Spacewatch is to explore the various populations of small objects within the solar system. Spacewatch provides data for studies of comets and asteroids, finds potential targets for space missions, and provides information on the environmental problem of possible impacts. Moving objects are discovered by scanning the sky with charge-coupled devices (CCDs) on the 0.9-meter Spacewatch Telescope of the University of Arizona on Kitt Peak. Each Spacewatch scan consists of three drift scan passes over an area of sky using a CCD filtered to a bandpass of 0.5-1.0 microns (approximately V+R+I with peak sensitivity at 0.7 micron). The effective exposure time for each pass is 143 seconds multiplied by the secant of the declination. We have been finding some 30,000 new asteroids per year and applying their statistics to the study of the collisional history of the solar system. As of the end of the observing run of Nov. 1997, Spacewatch had found a total of 153 Near-Earth Asteroids (NEAs) and 8 new comets since the project began in the 1980s, and had recovered one lost comet. The total number of NEAs found by Spacewatch big enough to be hazardous if they were to impact the Earth is 36. Spacewatch is also efficient in recovery of known comets and has detected and reported positions for more than 137,000 asteroids, mostly new ones in the main belt, including more than 16,000 asteroids designated by the Minor Planet Center (MPC).

Gehrels, Tom↗
DOE OSTI2021

A quantitative model used to compare within-host SARS-CoV-2, MERS-CoV, and SARS-CoV dynamics provides insights into the pathogenesis and treatment of SARS-CoV-2

The scientific community is focused on developing antiviral therapies to mitigate the impacts of the ongoing novel coronavirus disease 2019 (COVID-19) outbreak. This will be facilitated by improved understanding of viral dynamics within infected hosts. Here, using a mathematical model in combination with published viral load data, we compare within-host viral dynamics of SARS-CoV-2 with analogous dynamics of MERS-CoV and SARS-CoV. Our quantitative analyses using a mathematical model revealed that the within-host reproduction number at symptom onset of SARS-CoV-2 was statistically significantly larger than that of MERS-CoV and similar to that of SARS-CoV. In addition, the time from symptom onset to the viral load peak for SARS-CoV-2 infection was shorter than those of MERS-CoV and SARS-CoV. These findings suggest the difficulty of controlling SARS-CoV-2 infection by antivirals. We further used the viral dynamics model to predict the efficacy of potential antiviral drugs that have different modes of action. The efficacy was measured by the reduction in the viral load area under the curve (AUC). Our results indicate that therapies that block de novo infection or virus production are likely to be effective if and only if initiated before the viral load peak (which appears 2–3 days after symptom onset), but therapies that promote cytotoxicity of infected cells are likely to have effects with less sensitivity to the timing of treatment initiation. Furthermore, combining a therapy that promotes cytotoxicity and one that blocks de novo infection or virus production synergistically reduces the AUC with early treatment. Our unique modeling approach provides insights into the pathogenesis of SARS-CoV-2 and may be useful for development of antiviral therapies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Intensive and extensive margins of the peak load: Measuring adaptation with mixed frequency panel data

In this work we investigate the response of daily electricity peak load to daily maximum temperatures across states in Europe and India. We propose a method that decomposes short- from medium/long-run effects, retains the high frequency nature of the load-weather covariation and treats economic growth as a modulating factor. By simultaneously exploiting variation in unexpected daily weather anomalies and decade-long climatic changes in each location we decompose transitory - intensive margin - adjustments from permanent - extensive margin - adjustments. We find that the shocks over the long-run differ substantially from the short-run dynamics. Furthermore, we find evidence that per capita income modulates the adjustments over the short- and long-run. We project that in response to climate change around 2050 the peak load may increase by up to 20%-30% in Southern Europe and in several states in India, depending on the degree of warming and the evolution of socio-economic conditions. Even with a limited scope to two world regions, we identify that the structure of the economy and differences in future income growth matter in shaping the adaptation to climate change. Our decomposition allows to identify how future weather anomalies can further amplify the relative increase associated to the shift in the climate norm. Assuming that the interannual variability of maximum temperatures follows the distribution observed in the past, we find a doubling of the impacts of climate change during the summer in Europe. Uncertainty around the distribution of future weather anomalies may lead to further unexpected peak load amplifications. Our results have important policy implications for power systems’ generation capacity, transmission and storage, as we show that the challenges to accommodate the peak load in days with extreme temperatures may substantially increase already around mid-century.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Collective Thomson scattering measurement of plasma evolution during the current pulse in a laser-triggered switch

High-voltage laser-triggered switches (HV-LTSs) are used in pulsed-power applications where low jitter and precise timing are required. The switches allow operation in the megaampere, megavolt regime while maintaining low insertion losses. Currently, there is a lack of detailed plasma measurements in these switches, yet such measurements are needed to elucidate the detailed physics, which include a range of processes such as laser breakdown, streamer formation and growth, current flow, plasma evolution, and cooling. Detailed spatially- and temporally resolved measurements of plasma properties within the switches could contribute to validating and advancing numeric models of these systems. This contribution presents laser Thomson scattering measurements of the electron number density and temperature evolution in a HV-LTS. The switch was operated at 6 kV with current flow for a duration of 145 ns and a peak current density of 0.2 MA/cm2 into a matched load. The Thomson scattering diagnostic system uses a 532 nm probe from an Nd:YAG laser allowing a temporal resolution of ∼10 ns. We find that during the switch current pulse, the plasma electron temperature rose from a starting value of 8.1 ± 1.6 eV (due to cooling of the earlier trigger laser plasma) to a peak value of 26 ± 5 eV with an associated increase in the electron density from 8.6 ± 1.7 × 1017 to 3.1 ± 0.6 × 1018 cm−3.

Gottfried, Jacob A. (ORCID:0000000290058841)↗
DOE OSTI2025

Dual-band Ion-scale Waves in the Solar Wind: Statistical Properties and Comparison with Single-band Ion-scale Waves

We present a comprehensive statistical analysis of ion-scale waves including dual-band ion-scale waves (DBIWs) observed by the Parker Solar Probe in the solar wind. DBIWs are characterized by the simultaneous occurrence of distinct left- and right-handed polarized wave packets at higher and lower frequencies, respectively, in the spacecraft frame, implying the presence of bidirectionally propagating L-mode waves. We identify and compare DBIWs to single-band ion-scale waves (SBIWs) and investigate their spatial distributions, background magnetic field conditions, and associated inertial range turbulence characteristics. We find that DBIWs exhibit a strong preferential occurrence at heliocentric distances between 0.2 and 0.25 au (equivalently 43 and 54 R S ) in contrast to SBIWs, the occurrence rate of which peaks closer to the Sun and decreases with the heliocentric distance. DBIWs are also preferentially observed under conditions of strong Alfvénic turbulence, characterized by low magnetic compressibility and perpendicular-dominant fluctuations. These findings support a scenario in which stochastic ion heating via sufficiently large perpendicular Alfvénic fluctuation generates the ion temperature anisotropies required to excite bidirectional ion cyclotron waves. This work advances our understanding of kinetic wave generation in the solar wind and its connection to large-scale turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Quantification of grain rotation in bulk nanostructured copper via in situ heating white beam synchrotron X-ray diffraction

Grain rotation during microstructural relaxation under heating is conventionally studied extensively through transmission electron microscopy and simulations. However, there is a shortage in examining grain rotations at larger length and volume scales in bulk materials. It is critical to understand the thermal stability of bulk nanostructured metals, since those enhanced mechanical properties have been well recognized. Here, this study aimed to employ a white beam microdiffraction X-ray technique under in situ heating from 300 K to 1073 K at 12 K/min on a nanostructured copper processed by high-pressure torsion, yielding an initial grain size of ∼260 nm before the heating. Evaluation across a wide range of temperatures reveals transition temperatures associated with microstructural relaxation processes. By tracking separate Laue diffraction peaks stemming from individual grains, changes in their orientations can be estimated and quantified. This approach becomes particularly effective when the number of grains within the probed volume is reasonably small. At temperatures above 940 K, about 7.5 % of Cu grains are rotating at speeds of ∼2 × 10 –3 °/s. The radial direction of the disk specimen is found to be the preferred direction of grain rotation, with the rotation axis along the shear direction. Further analysis found no correlation between peak intensity and peak size, related to grain sizes and deviatoric strain, respectively, with rotation conditions or speed. These findings demonstrate that the diffraction technique utilizing white beam X-rays is a complementary and novel characterization tool for understanding microstructural evolution, especially in grain rotations, of bulk crystalline materials.

Grain orientation↗
DOE OSTI2025

Cool rooms for indoor heat resilience: Evaluating affordable cooling strategies in heat-stressed California homes

Extreme heat conditions pose significant indoor survivability challenges for resource-constrained communities, which often lack access to cooling, have poorly insulated homes, and face compounding socioeconomic vulnerabilities. Moreover, concurrent power outages worsen health risks and heat-related illnesses. It is therefore crucial to develop innovative and affordable cooling approaches to protect vulnerable populations. This study assesses the efficacy of “cool rooms”– a designated space within a home equipped with passive and low-power active cooling measures to maintain safe indoor temperatures during extreme heat events and power disruptions. Using a physics-based building energy modeling approach, we evaluate the efficacy of various retrofit packages in maintaining thermal safety within the cool room under recent extreme heat conditions. The results indicate that passive measures can reduce 64% of hours with unmet standard effective temperatures, while the combination of passive and low-power active measures with built-in batteries further cuts this to 86%. Nevertheless, these strategies remain insufficient to maintain indoor thermal safety during extended outages. In contrast, integrating a solar-powered mini-split heat pump, whose technical potential was evaluated in this study, reduces indoor air temperatures below the 28 °C overheating threshold and significantly improves indoor habitability. The localized cool room strategy also offers potential for grid resilience by reducing peak electricity demand by up to 70% compared to whole house cooling during heat waves. The findings can inform the development of actionable heat mitigation plans and retrofit policies for residential communities with relatively low adoption of air conditioning such as warm marine climates.

Cool room↗
DOE OSTI2024

Large-scale simulation-based parametric analysis of an optimal precooling strategy for demand flexibility in a commercial office building

Achieving success with grid-interactive efficient buildings (GEBs) is closely tied to the utilization of flexible loads. A valuable strategy involves the implementation of precooling techniques before high-demand events, such as peak hours, by adjusting zone air temperature setpoints. This leads to a reduction in thermal loads and peak electricity demand during these times, as the building’s thermal mass stores and subsequently releases thermal energy. However, the effectiveness of the pre-cooling optimization is highly contingent on specific conditions such as building thermal properties, weather conditions, utility rate structure, HVAC equipment sizing, etc. Therefore, investigating the impacts of these condition-specific factors is crucial, especially when considering precooling strategies that utilize thermal mass in commercial buildings. In this paper, we first devised a novel heuristic control approach that incorporates parameterized optimal precooling thermostat schedules to enhance demand flexibility in a commercial office building. Subsequently, we conducted a thorough performance evaluation of this control strategy. Here, the optimal thermostat schedule was parameterized using three optimization variables: the precooling start time, the precooling end time, and the precooling temperature setpoint. Utilizing the DOE medium-sized office building as the virtual testbed, we showed that the parameterized schedule effectively approximates model predictive control and requires drastically reduced computational overhead. In addition, we investigated the impact of different influencing factors on the optimal precooling strategy. These factors include building thermal mass, outdoor air conditions, and energy price profiles. Using high-performance computing, we simulated a total of 225 scenarios, consisting of three levels of thermal mass, five typical outdoor air temperature profiles, and fifteen time-of-use price plans. The results demonstrate that optimal thermostat scheduling could save substantial energy cost in medium-sized office buildings with heavy thermal mass but with some energy penalty. Although the potential for cost savings is lower in buildings with low and medium thermal mass, the energy penalty remains consistent in all three thermal mass scenarios. The study also highlights the need to account for zone diversity and recognize that a one-size-fits-all-zone setpoint schedule may not be suitable for all zones and can lead to unnecessary energy wastage. Furthermore, the results highlight that while outdoor air conditions play a role in cost and energy performance, the cooling load exerts a more immediate and substantial influence on cost savings in precooling strategies. Although cost savings are comparable under certain conditions with the same cooling load, observed deviations in energy penalty indicate potential disparities in the efficiency of the HVAC system during the load-shifting process. In addition, the duration of peak pricing and the ratio between peak and off-peak times exhibit clear correlations with cost savings and energy consumption, aligning with intuitive expectations. These findings offer valuable insights for optimizing precooling strategies in office buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

“Antenna-like” Light-Harvesting in Partially Metalated Porphyrin Hydrogen-Bonded Organic Frameworks

Arrays of light harvesting molecules with long-range order hold promise as materials capable of efficient collection of photons as well as rapid transport of captured solar energy to chemical catalysts. Hydrogen-bonded organic frameworks (HOFs) could be promising artificial light-harvesting platforms, due to their crystalline nature and their comparative ease of synthesis. In this work, mixed-linkers of either zinc-metallated or free base tetrakis(4-carboxyphenyl)porphyrin HOFs were examined and found to demonstrate ‘antenna-like’ light harvesting behavior. Using time-resolved emission spectroscopy, Förster resonance energy transfer from zinc porphyrin to free-base porphyrin was assessed. Based on changes in the emission peak profile as the ratio of zinc porphyrin to free-base porphyrin is varied, we find that, in the limit of 100% zinc porphyrin, a photogenerated exciton can sample ~48 chromophores. These findings suggest that stacked linkers within HOFs can act as light harvesting ‘antennae’ and with encapsulation of suitable catalysts, may offer prospective application as photochemical energy conversion systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Understanding 2p core-level excitons of late transition metals by analysis of mixed-valence copper in a metal–organic framework

The L 2,3 -edge X-ray absorption spectra of late transition metals such as Cu, Ag, and Au exhibit absorption onsets lower in energy for higher oxidation states, which is at odds with the measured spectra of earlier transition metals. Time-dependent density functional theory calculations for Cu 2+ /Cu + reveal a larger 2p core-exciton binding energy for Cu 2+ , overshadowing shifts in single-particle excitation energies with respect to Cu + . Finally, we explore this phenomenon in a Cu + metal–organic framework with ~12% Cu 2+ defects and find that corrections with self-consistent excited-state total energy differences provide accurate XAS peak alignment.

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

Applying Thomson scattering to diagnosing turbulent density and velocity fluctuations in a gas-puff z-pinch

The electron plasma wave feature (EPW) in the time-resolved Thomson scattering spectrum is used to obtain the local electron density in imploding high energy density gas-puff z-pinch plasmas. The optical setup was optimized to allow the relatively weak EPW feature obtained from 1 MA imploding neon gas-puff z-pinches to be seen above the continuum emission as well as the brighter ion acoustic wave (IAW) feature. Using a frequency-doubled Nd:YLF laser (E = 10 J, λ = 526.5 nm, Δt= 2.3 ns, spot size ~ 250 μm) and two visible light streak cameras, we determined the average electron density in the imploding plasma sheath 40 ns prior to stagnation to be n e = 2.5 × 10 18 /cm 3 . At pinch time, it reached n e = 1.7 × 10 19 /cm 3 . Here, the electron temperature during implosion measured via the IAW (approximately 50 eV) was four times lower than the implosion electron temperature measured via the EPW (approximately 200 eV), assuming that neither feature is affected by turbulent fluctuations in the plasma. In order for the electron temperatures inferred from the EPW and IAW spectral features to be self-consistent, we find that it is necessary to include velocity fluctuations in the analysis of the IAW feature peaks and corresponding density fluctuation in the peak widths of the EPW feature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗