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At least 325 records · Page 18

The Concentration–Mass relation of massive, dynamically relaxed galaxy clusters: agreement between observations and ΛCDM simulations

ABSTRACT The relationship linking a galaxy cluster’s total mass with the concentration of its mass profile and its redshift is a fundamental prediction of the Cold Dark Matter (CDM) paradigm of cosmic structure formation. However, confronting those predictions with observations is complicated by the fact that simulated clusters are not representative of observed samples where detailed mass profile constraints are possible. In this work, we calculate the symmetry-peakiness-alignment (SPA) morphology metrics for maps of X-ray emissivity from the three hundred project hydrodynamical simulations of galaxy clusters at four redshifts, and thereby select a sample of morphologically relaxed, simulated clusters, using observational criteria. These clusters have on average earlier formation times than the full sample, confirming that they are both morphologically and dynamically more relaxed than typical. We constrain the concentration–mass–redshift relation of both the relaxed and complete sample of simulated clusters, assuming power-law dependences on mass (κm) and 1 + z (κζ), finding κm = −0.12 ± 0.07 and κζ = −0.27 ± 0.19 for the relaxed subsample. From an equivalently selected sample of massive, relaxed clusters observed with Chandra, we find κm = −0.12 ± 0.08 and κζ = −0.48 ± 0.19, in good agreement with the simulation predictions. The simulated and observed samples also agree well on the average concentration at a pivot mass and redshift providing further validation of the ΛCDM paradigm in the properties of the largest gravitationally collapsed structures observed. This also represents the first clear detection of decreasing concentration with redshift, a longstanding prediction of simulations in data.

79 ASTRONOMY AND ASTROPHYSICS↗

Ligand Controls Excited Charge Carrier Dynamics in Metal-Rich CdSe Quantum Dots: Computational Insights

Small metal-rich semiconducting quantum dots (QDs) are promising for solid-state lighting and single-photon emission due to their highly tunable yet narrow emission line widths. Nonetheless, the anionic ligands commonly employed to passivate these QDs exert a substantial influence on the optoelectronic characteristics, primarily owing to strong electron–phonon interactions. In this work, we combine time-domain density functional theory and nonadiabatic molecular dynamics to investigate the excited charge carrier dynamics of Cd 28 Se 17 X 22 QDs (X = HCOO – , OH – , Cl – , and SH – ) at ambient conditions. These chemically distinct but regularly used molecular groups influence the dynamic surface-ligand interfacial interactions in Cd-rich QDs, drastically modifying their vibrational characteristics. The strong electron–phonon coupling leads to substantial transient variations at the band edge states. The strength of these interactions closely depends on the physicochemical characteristics of passivating ligands. Consequently, the ligands largely control the nonradiative recombination rates and emission characteristics in these QDs. Our simulations indicate that Cd 28 Se 17 (OH) 22 has the fastest nonradiative recombination rate due to the strongest electron–phonon interactions. Conversely, QDs passivated with thiolate or chloride exhibit considerably longer carrier lifetimes and suppressed nonradiative processes. The ligand-controlled electron–phonon interactions further give rise to the broadest and narrowest intrinsic optical line widths for OH and Cl-passivated single QDs, respectively. Finally, obtained computational insights lay the groundwork for designing appropriate passivating ligands on metal-rich QDs, making them suitable for a wide range of applications, from blue LEDs to quantum emitters.

36 MATERIALS SCIENCE↗

Role of emission controls in reducing the 2050 climate change penalty for PM2.5 in China

Previous studies demonstrated that global warming can lead to deteriorated air quality even when anthropogenic emissions were kept constant, which has been called a climate change penalty on air quality. It is expected that anthropogenic emissions will decrease significantly in the future considering the aggressive emission control actions in China. However, the dependence of climate change penalty on the choice of emission scenario is still uncertain. To fill this gap, we conducted multiple independent model simulations to investigate the response of PM2.5 to future (2050) climate warming (RCP8.5) in China but with different emission scenarios, including the constant 2015 emissions, the 2050 CLE emissions (based on Current Legislation), and the 2050 MTFR emissions (based on Maximum Technically Feasible Reduction). For each set of emissions, we estimate climate change penalty as the difference in PM2.5 between a pair of simulations with either 2015 or 2050 meteorology. Under 2015 emissions, we find a PM2.5 climate change penalty of 1.43 µg m-3 in Eastern China, leading to an additional 35,000 PM2.5-related premature deaths [95% confidence interval (CI), 21,000-40,000] by 2050. However, the PM2.5 climate change penalty weakens to 0.24 µg m-3 with strict anthropogenic emission controls under the 2050 MTFR emissions, which decreases the associated PM2.5-related deaths to 17,000. The smaller MTFR climate change penalty contributes 14% of the total PM2.5 decrease when both emissions and meteorology are changed from 2015 to 2050, and 24% of total health benefits associated with this PM2.5 decrease in Eastern China. This finding suggests that controlling anthropogenic emissions can effectively reduce the climate change penalty on PM2.5 and its associated premature deaths, even though a climate change penalty still occurs even under MTFR. Strengthened controls on anthropogenic emissions is key to attaining air quality targets and protecting human health in the context of future global climate change.

Liu, Song↗

Has Reducing Ship Emissions Brought Forward Global Warming?

Abstract Ships brighten low marine clouds from emissions of sulfur and aerosols, resulting in visible “ship tracks”. In 2020, new shipping regulations mandated an ∼80% reduction in the allowed fuel sulfur content. Recent observations indicate that visible ship tracks have decreased. Model simulations indicate that since 2020 shipping regulations have induced a net radiative forcing of +0.12 Wm −2 . Analysis of recent temperature anomalies indicates Northern Hemisphere surface temperature anomalies in 2022–2023 are correlated with observed cloud radiative forcing and the cloud radiative forcing is spatially correlated with the simulated radiative forcing from the 2020 shipping emission changes. Shipping emissions changes could be accelerating global warming. To better constrain these estimates, better access to ship position data and understanding of ship aerosol emissions are needed. Understanding the risks and benefits of emissions reductions and the difficultly in robust attribution highlights the large uncertainty in attributing proposed deliberate climate intervention.

54 ENVIRONMENTAL SCIENCES↗

Impact of US SO 2 Emission Reductions Between 1970 and 2010 on Seasonal Sulfate Aerosol Burden and Radiative Forcing Over the North Atlantic

Sulfate burden over the North Atlantic Ocean (NATL) exhibits strong seasonality despite no seasonality in anthropogenic sulfur dioxide (SO 2 ) emissions. However, the seasonality of sulfate aerosols over NATL has decreased since 1970, likely due to a reduction in the United States (US) SO 2 emissions following the Clean Air Act of 1970. We performed atmospheric chemistry and transport simulations to assess the impact of changing US SO 2 emissions between 1970 and 2010 on NATL sulfate burden and radiative forcing. United States SO 2 emission reductions weakened the seasonality in NATL sulfate burden by ∼17%, primarily due to a decrease in chemical production and transport in summer. These emission reductions caused a summertime radiative forcing (∼2 W m −2 ) twice as large as the wintertime forcing. Our findings highlight the complex, season-dependent responses of sulfate burden and radiative effects to regional emission changes.

North Atlantic↗

Evaluating nonlocal heat transport in directly driven chromium spheres using x-ray spectroscopy

We report on experiments investigating heat transport in laser-generated plasmas using directly driven chromium spheres. The spheres are fielded at the OMEGA laser facility and are driven with laser intensities of 5×10 14 Wcm −2 . Plasma conditions in the corona and scattered light are measured experimentally and compared against predictions from two-dimensional (2D) radiation-hydrodynamic simulations using different heat transport models. Spectroscopic analysis of x-ray self-emission is used as an additional diagnostic. X-ray emission is integrated over a large region of the plasma, probing regions that are not observed by localized optical Thomson scattering. In particular, x-ray emission peaks near the plasma critical density, so emission from optically thin lines provides information on plasma conditions where nonlocal transport is most likely to be significant. Three common heat transport models are considered: local transport with flux limiters f = 0.15 and f = 0.03, and the nonlocal Schurtz–Nicolai–Busquet (SNB) model. Consistent with previous work, both the high-flux (f = 0.15) and SNB models show good agreement with experimentally measured plasma conditions in the corona despite overpredicting laser absorption, whereas the low-flux (f = 0.03) model fails to match any experimental data. Conditions inferred from x-ray self-emission line ratios support this conclusion during the period of laser peak power, although synthetic spectra for all models fail to match the experiment during the transient portions of the pulse. For these reasons, the low-flux model is again rejected.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dynamics of photosynthetic light harvesting systems interacting with N-photon Fock states

Here, we develop a method to simulate the excitonic dynamics of realistic photosynthetic light harvesting systems, including non-Markovian coupling to phonon degrees of freedom, under excitation by N-photon Fock state pulses. This method combines the input–output and the hierarchical equations of motion formalisms into a double hierarchy of density matrix equations. We show analytically that under weak field excitation relevant to natural photosynthesis conditions, an N-photon Fock state input and a corresponding coherent state input give rise to equal density matrices in the excited manifold. However, an N-photon Fock state input induces no off-diagonal coherence between the ground and excited subspaces, in contrast with the coherences created by a coherent state input. We derive expressions for the probability to absorb a single Fock state photon with or without the influence of phonons. For short pulses (or, equivalently, wide bandwidth pulses), we show that the absorption probability has a universal behavior that depends only upon a system-dependent effective energy spread parameter Δ and an exciton–light coupling constant Γ. This holds for a broad range of chromophore systems and for a variety of pulse shapes. We also analyze the absorption probability in the opposite long pulse (narrow bandwidth) regime. We then derive an expression for the long time emission rate in the presence of phonons and use it to study the difference between collective vs independent emission. Finally, we present a numerical simulation for the LHCII monomer (14-mer) system under single photon excitation that illustrates the use of the double hierarchy equations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Multi-Analysis Approach for Estimating Regional Health Impacts from the 2017 Northern California Wildfires

In the evening of October 8 and early hours of October 9, 2017, high winds in Northern California downed trees and power lines, igniting some of the most devastating wildfires the state had seen, and within hours unhealthy air quality impacted millions of people. We simulated these air quality conditions using fire detection information from the MODIS, VIIRS, and GOES-16 ABI satellite instruments, and applying a set of three WRF–CMAQ simulations, one data fusion, and three machine learning methods. We investigated using the 5-min available GOES-16 fire detection data to simulate timing of fire activity to allocate emissions hourly for the WRF-CMAQ air quality modeling system. Interestingly, this approach did not necessarily improve results compared to the baseline case, which used a default time profile. However, this approach was key to simulating the initial 12-hr explosive fire activity and smoke impacts. The WRF-CMAQ simulations compared well with observational data for the October 8-15 time period and tended to overestimate concentrations October 16-20. To improve these results, we applied three machine learning algorithms. We also had a unique opportunity to evaluate results with temporary monitors deployed specifically for wildfires, and performance was markedly different. For example, at the permanent monitoring locations, the WRF-CMAQ simulations had a Pearson correlation of 0.65, and the data fusion approach improved this (Pearson correlation = 0.95), while at the temporary monitor locations across the WRF-CMAQ, data fusion, and machine learning datasets, the best Pearson correlation was 0.5. The data fusion and machine learning results were biased low and WRF-CMAQ results were biased high. Finally, we applied the optimized PM2.5 exposure estimate in a short-term exposure-response function. Total estimated mortality attributable to PM2.5 exposure during the smoke episode was 83 (95% confidence interval: 0, 196) with 47% of these deaths attributable to wildland fire smoke.

O'Neill, Susan↗

Total X-Ray Emission from the LMC Observed with HaloSat

We constrain the global parameters of the Large Magellanic Cloud (LMC) by modeling the first soft X-ray (0.4–6.8 keV) observations of the entire LMC produced in a single pointing with moderate spectral resolution by the HaloSat CubeSat. These data are best fit with the sum of two thermal plasma components in collisional ionization equilibrium and a power law. We find cool (0.210 ± 0.014 keV) and hot (0.89 ± 0.14 keV) components. The total X-ray luminosity of the LMC is (1.08 ± 0.14) × 10{sup 39} erg s{sup −1}. X-ray binaries make up a large fraction of the emission with a luminosity of (6.0 ± 0.8) × 10{sup 38} erg s{sup −1}, followed by cool gas from superbubbles, supernovae, and diffuse emission with a luminosity of (3.0 ± 0.3) × 10{sup 38} erg s{sup −1}. The hot gas from star formation contributes the smallest fraction, with a luminosity of (1.9 ± 0.5) × 10{sup 38} erg s{sup −1}. We estimate the total volume of the cool gas to be between (0.2–1.2) × 10{sup 10} pc{sup 3} and the hot gas to be between (1.0–5) × 10{sup 7} pc{sup 3} for filling factors of f = 1 and 0.2. These volumes result in a total thermal energy for the cool gas between (1.4–3) × 10{sup 54} erg for electron densities of 0.017–0.04 cm{sup −3}, and a thermal energy for the hot gas between (1.7–4) × 10{sup 53} erg for electron densities of 0.12–0.3 cm{sup −3}. This yields cooling timescales for the cool and hot gas of (1.5–3) × 10{sup 8} yr and (1.8–6) × 10{sup 7} yr, respectively.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A platform for non-local thermodynamic equilibrium atomic physics research using the buried layer target approach at a kJ level laser facility

Here we present a design and first use of a kJ level laser facility for research of non-local thermodynamic equilibrium atomic physics using the buried layer target method. The target design included a metal layer buried inside a plastic tamper with thicknesses tailored to the expected laser intensities. The target was illuminated from each side by two laser beams with intensities of 0.5–5 × 10 14 W/cm 2 . The advanced diagnostic suite included static and time-resolved imagers and spectrometers with various spectral resolutions. A 3D printed dual elliptically curved spectrometer is presented, and its results are compared to a traditional crystal spectrometer. Experimental results and radiation hydrodynamic simulations demonstrate that the target achieved the desired thermodynamic conditions of n e ≈ 10 21 –10 22 cm -3 and T e ≈ 1–2 keV.

3D printing↗

Atomistic and phase field simulations of three dimensional interactions of {$10\bar12$} twins with grain boundaries in Mg: twin transmission and dislocation emission

In polycrystals, the interaction of dislocations and twins with grain boundaries (GBs) plays a role in hardening and formability during plastic deformation. While dislocation-GB interactions are relatively well-understood, twin-GB interactions remain mostly unknown. In this work, an approach using molecular dynamics and phase-field simulations is followed to study the forward and lateral interactions between {$10\bar12$} twins and tilt grain boundaries in Mg. Molecular dynamics results show that the resolved shear stress on slip/twinning modes of the neighboring grain, not the geometric alignment, is the dominant factor in determining the outcome of the twin-GB interactions. For some lateral interaction configurations, as the misorientation angle increases, the resolved shear stress on the same {$10\bar12$} twin variant of the neighboring grain reduces while it increases for slip or I 2 stacking fault emissions or other twin modes such as {$11\bar12$} and {$10\bar11$}, explaining why twin transmission is not seen at high misorientation angles. Furthermore, lateral and forward interactions of the twin with tilt grain boundaries whose misorientation axes are normal to the coherent twin boundary show significantly different outcomes. For the forward interaction, the twin is absorbed and stacking faults are emitted when interacting for low misorientation angles (up to 30°) while the lateral interaction results in twin transmission, nucleation of a {$11\bar12$} twin, and emission of I 2 stacking faults. Finally, comparisons between twin interactions with symmetric and asymmetric tilt GBs with different GB structures show similar outcomes.

36 MATERIALS SCIENCE↗

Development of R&D GREET 2023 Rev1 to Estimate Greenhouse Gas Emissions of Sustainable Aviation Fuels for 40B Provision of the Inflation Reduction Act

The federal Interagency Working Group on sustainable aviation fuels (SAF) tasked Argonne National Laboratory with developing a modified version of the Greenhouse Gases, Regulated Emissions, and Energy Use in Technologies (GREET) model based on R&D GREET 2023. The goal of the new GREET version is to simulate the life-cycle greenhouse gas (GHG) emissions associated with seven sustainable aviation fuel (SAF) pathways for consideration under the 40B Provision of the Inflation Reduction Act – Sustainable aviation fuel credit. The Provision includes a new GHG-based tax credit to incentivize SAF production and reduce the costs of these fuels.

02 PETROLEUM↗

Understanding carbon sourcing and transport originating from the helicon antenna surfaces during high-power helicon discharge in DIII-D Tokamak

The high-power helicon wave system in the DIII-D tokamak could potentially introduce new plasma–material interaction (PMI) challenges owing to rectified RF sheath potentials that develop near the antenna and surrounding plasma-facing components. We present the first application of the STRIPE (Simulated Transport of RF Impurity Production and Emission) framework to helicon-induced PMIs, extending previous STRIPE studies of ICRH antennas by incorporating net erosion, local re-deposition, and three-dimensional global impurity transport. The integrated workflow couples SOLPS, COMSOL, RustBCA, GITR, and GITRm to simulate carbon erosion, re-deposition, and impurity transport for two experimentally constrained DIII-D H-mode helicon operating scenarios with different antenna–plasma gaps, coupled RF powers, and edge plasma conditions. COMSOL predicts rectified RF sheath potentials of 1–5 kV localized near the lower portion of the antenna, where the magnetic field intersects the surface at grazing incidence. Carbon self-sputtering dominates the erosion source, whereas RF-accelerated D + ions contribute approximately 1% of the total gross erosion. The smaller-gap operating scenario exhibits substantially stronger gross erosion, enhanced local re-deposition (∼12%), and a larger confined carbon inventory owing to increased plasma accessibility and broader RF sheath coverage. Comparison with available DIII-D measurements shows no distinct change in the global carbon signal that correlates with the helicon RF pulse, consistent with the simulations indicating that the helicon-generated carbon source remains small compared with the existing background carbon inventory under the present graphite-wall operating conditions. These results demonstrate the capability of STRIPE to integrate RF sheath modeling, plasma transport, surface interaction physics, and three-dimensional impurity transport for the interpretation of helicon-induced PMIs. The study further identifies the principal sources of modeling uncertainty, including grazing-angle RF sheath physics, slow-wave resolution, plasma-background extrapolation, and trace-impurity transport assumptions, providing a framework for future validation and model development.

Kumar, Atul [Oak Ridge National Laboratory (ORNL),↗

Expansion of Carbon Calculator for Land Use and Land Management Change from Biofuels Production (CCLUB) to Address Induced Land Use Changes and Other Indirect Effects of Clean Fuel Production for R&D GREET ® 2024

Since the late 2000s, biofuel life-cycle analysis (LCA) has included induced land use change (ILUC) and other indirect effects (I-effects) of large-scale feedstock production for biofuels. In ILUC and I-effect emissions modeling, economic models are used to simulate the area of land conversion among different land types and other I-effects such as non-feedstock crop production and livestock production that are driven by the scenarios of biofuel production volume shocks. On the other hand, emission factors (EF) models estimate carbon stock changes and GHG emissions associated with these changes. Finally, the area and type of ILUC and I-effects are combined with the EFs to estimate the biofuel ILUC/I-effect GHG emissions in the unit of grams of CO 2 equivalent per MJ biofuel produced (g CO 2 e/MJ).

09 BIOMASS FUELS↗

Kinematic Evidence for an Embedded Planet in the IM Lupi Disk

Abstract We test the hypothesis that an embedded giant planet in the IM Lupi protostellar disk can produce velocity kinks seen in CO line observations as well as the spiral arms seen in scattered light and continuum emission. We inject planets into 3D hydrodynamics simulations of IM Lupi, generating synthetic observations using Monte Carlo radiative transfer. We find that an embedded planet of 2–3 M Jup can reproduce non-Keplerian velocity perturbations, or “kinks”, in the 12 CO J = 2–1 channel maps. Such a planet can also explain the spiral arms seen in 1.25 mm dust continuum emission and 1.6 μ m scattered-light images. We show that the wake of the planet can be traced in the observed peak velocity map, which appears to closely follow the morphology expected from our simulations and from analytic models of planet–disk interaction.

79 ASTRONOMY AND ASTROPHYSICS↗

Turbulent transport and reactions of plant-emitted hydrocarbons in an Amazonian rain forest

The processes governing the temporal and spatial patterns of isoprene and monoterpenes emitted by a rainforest in the central Amazon region of Brazil is investigated using a combination of field experiments and numerical simulations. Specifically, Large Eddy Simulations (LES) were used to resolve emissions of isoprene and monoterpenes, turbulent transport, and air chemistry. The coupled chemistry-transport LES included the effects of isoprene and monoterpenes reactivity due to reactions with hydroxyl radical and ozone. The LES results are used to compute vertically resolved budgets of isoprene and monoterpenes in the rainforest canopy in response to emissions, turbulent transport, surface deposition, and air chemistry. Our results indicated that emission and dispersion dominated the isoprene budget as the gases were transported out of the canopy space. In a region limited by nitrogen oxides (with prevailing nitric oxide levels of < 0.5 parts per billion), the in-canopy chemical destruction removed approximately 10% of locally emitted monoterpenes. Hydroxyl radical production rates from the ozonolysis of monoterpenes amounted to ≈ 2 x 10 6 radicals cm -3 s -1 and had similar magnitude to the light-dependent hydroxyl radical formation. One key conclusion was that the Amazonia rainforest abundantly emitted monoterpenes whose in-canopy ozonolysis yielded hydroxyl radicals in amounts similar to the magnitude of light-dependent formation. Reactions of monoterpenes and isoprene with hydroxyl radical and ozone were necessary for the maintenance of the Amazon rainforest canopy as a photochemically active environment suitable to generate oxidants and secondary organic aerosols.

54 ENVIRONMENTAL SCIENCES↗

Hot-electron generation at direct-drive ignition-relevant plasma conditions at the National Ignition Facility

Laser–plasma interaction instabilities can be detrimental for direct-drive inertial confinement fusion by generating high-energy electrons that preheat the target. Moreover, an experimental platform has been developed and fielded on the National Ignition Facility to investigate hot-electron production from laser–plasma instabilities at direct-drive ignition-relevant conditions. The radiation-hydrodynamic code DRACO has been used to design planar-target experiments that generate plasma and interaction conditions comparable to direct-drive ignition designs: I L ~10 15 W/cm 2 , T e > 3 keV, and density-gradient scale lengths of L n ~ 600 μ m in the quarter-critical density region. The hot-electron properties were inferred by comparing the experimentally observed hard x-ray spectra to Monte Carlo simulations of hard x-ray emission from hot electrons depositing energy in the target. Hot-electron temperatures of ~40 keV to 60 keV and the fraction of laser energy converted to hot electrons of ~0.5% to 5% were inferred in plastic targets for laser intensities at the quarter-critical density surface of (~4 to 14) × 10 14 W/cm 2 . The use of silicon ablators was found to mitigate the hot-electron preheat by increasing the threshold laser intensity for hot-electron generation from ~3.5 × 10 14 W/cm 2 in plastic to ~6 × 10 14 W/cm 2 in silicon. The overall hot-electron production is further reduced in silicon ablators when the intensity threshold is exceeded.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Optimized continuum x-ray emission from laser-generated plasma

We study continuum x-ray emission from hot plasma at the National Ignition Facility (NIF). We find that the x-ray yield in the multi-keV photon energy range is larger in Ti than in Ag or Au. This apparent paradox is due to Ti K-shell vacancies generated by the extraordinary energy density achieved by the NIF lasers. This is supported by direct observations of large continuum enhancement above the Ti K-series limit due to both free–bound (recombination) emission and strong Ly α (H-like) emission. Detailed calculations agree well with our measurements and support our conclusions. <!--/abstract content--><!--fulltext content--> X-ray emission from matter pervades the universe and plays an important role in the high-energy density (HED) regime (~10 5 J/cm 3 ). For example, the emission and absorption of x-rays controls the thermal state and evolution of stellar interiors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗