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At least 793 records · Page 44

Electronic Structure and Mechanical Properties of Solvated Montmorillonite Clay Using Large-Scale DFT Method

Montmorillonite clay (MMT) has been widely used in engineering and environmental applications as a landfill barrier and toxic waste repository due to its unique property as an expandable clay mineral that can absorb water easily. This absorption process rendered MMT to be highly exothermic due to electrostatic interactions among molecules and hydrogen bonds between surface atoms. A detailed study of a large supercell model of structural clay enables us to predict long-term nuclear waste storage. Herein, a large solvent MMT model with 4071 atoms is studied using ab initio density functional theory. The DFT calculation and analysis clarify the important issues, such as bond strength, solvation effect, elasticity, and seismic wave velocities. These results are compared to our previous study on crystalline MMT (dry). The solvated MMT has reduced shear modulus (G), bulk modulus (K), and Young’s modulus (E). We observe that the conduction band (CB) in the density of states (DOS) of solvated MMT model has a single, conspicuous peak at –8.5 eV. Moreover, the atom-resolved partial density of states (PDOS) summarizes the roles played by each atom in the DOS. These findings illuminate numerous potential sophisticated applications of MMT clay.

36 MATERIALS SCIENCE↗

Full Transport General Relativistic Radiation Magnetohydrodynamics for Nucleosynthesis in Collapsars

We model a compact black hole-accretion disk system in the collapsar scenario with full transport, frequency dependent, general relativistic radiation magnetohydrodynamics. We examine whether or not winds from a collapsar disk can undergo rapid neutron capture (r-process) nucleosynthesis and significantly contribute to solar r-process abundances. We find the inclusion of accurate transport has significant effects on outflows, raising the electron fraction above ${Y}_{{\rm{e}}}\sim 0.3$ and preventing third-peak r-process material from being synthesized. We analyze the time evolution of neutrino processes and electron fraction in the disk and present a simple one-dimensional model for the vertical structure that emerges. Finally, we compare our simulation to semi-analytic expectations and argue that accurate neutrino transport and realistic initial and boundary conditions are required to capture the dynamics and nucleosynthetic outcome of a collapsar.

79 ASTRONOMY AND ASTROPHYSICS↗

Physics-driven Explosions of Stripped High-mass Stars: Synthetic Light Curves and Spectra of Stripped-envelope Supernovae with Broad Light Curves

Stripped-envelope supernovae (SESNe) represent a significant fraction of core-collapse supernovae, arising from massive stars that have shed their hydrogen and, in some cases, helium envelopes. The origins and explosion mechanisms of SESNe remain a topic of active investigation. In this work, we employ radiative-transfer simulations to model the light curves and spectra of a set of explosions of single, solar-metallicity, massive Wolf–Rayet stars with ejecta masses ranging from 4 to 11 M ⊙ , which were computed from a turbulence-aided and neutrino-driven explosion mechanism. We analyze these synthetic observables to explore the impact of varying ejecta mass and helium content on observable features. We find that the light curve shape of these progenitors with high ejecta masses is consistent with observed SESNe with broad light curves but not the peak luminosities. The commonly used analytic formula based on rising bolometric light curves overestimates the ejecta mass of these high-initial-mass progenitor explosions by a factor of up to 2.6. In contrast, the calibrated method by Haynie et al., which relies on late-time decay tails, reduces uncertainties to an average of 20% within the calibrated ejecta mass range. Spectroscopically, the He I 1.083 μm line remains prominent even in models with as little as 0.02 M ⊙ of helium. However, the strength of the optical He I lines is not directly proportional to the helium mass but instead depends on a complex interplay of factors such as the 56 Ni distribution, composition, and radiation field. Thus, producing realistic helium features requires detailed radiative transfer simulations for each new hydrodynamic model.

79 ASTRONOMY AND ASTROPHYSICS↗

The lunar conductivity profile and the nonuniqueness of electromagnetic data inversion.

A review of the theory for the electromagnetic functional used to date to determine the lunar conductivity profile from spectral analyses of lunar magnetometer data. The 'hard' boundary condition used by Sonett et al. (1971) and others appears to be a good approximation for the sunlit lunar hemisphere. The use of the spectral data in conjunction with the functional to find a least squares conductivity profile is examined from the point of view of the nonuniqueness of nonlinear estimation. An unsuccessful search was carried out to find models that were both geophysically reasonable and consistent with the data. It is asserted that the failure to find these models is due to the inadequacy of the functional. Of the models generated, those that best fit the data all have a conductivity peak at a depth of 240 km similar to that of the model discussed by Sonett et al. However, all of these models are quite distinct elsewhere in the profile. It is shown how such models are dependent on both the nature of the functional as well as the initial guess in the least squares procedure. A correlation analysis shows that the only resolvable features from this type of model are a low conductivity crust, a high conductivity peak of limited radial extent, and a low conductivity zone beneath the peak.

Phillips, R. J.↗

SSM/I Rain Retrievals Within a Unified All-Weather Ocean Algorithm

A new method for the physical retrieval of rain rates from satellite microwave radiometers is presented and compared to two other rainfall climatologies derived from satellites. The method is part of a unified ocean parameter retrieval algorithm that is based on the fundamental principles of radiative transfer. The algorithm simultaneously finds near-surface wind speed W, columnar water vapor V, columnar cloud liquid water L, rain rate R, and effective radiating temperature T(sub U) for the upwelling radiation. The performance of the algorithm in the absence of rain is discussed in Wentz, and this paper focuses on the rain component of the algorithm. A particular strength of the unified algorithm is its ability to 'orthogonalize' the retrievals so that there is minimum cross-talk between the retrieved parameters. For example, comparisons of the retrieved water vapor with radiosonde observations show that there is very little correlation between the water vapor retrieval error and rain rate. For rain rates from 1 to 15 mm/h, the rms difference between the retrieved water vapor and the radiosonde value is 5 mm. A novel feature of the rain retrieval method is a beamfilling correction that is based upon the ratio of the retrieved liquid water absorption coefficients at 37 GHz and 19.35 GHz. This ratio decreases by about 40% when heavy and light rain co-exist within the SSM/I footprint as compared to the case of uniform rain. This correction has the effect of increasing the rain rate when the spectral ratio of the absorption coefficients is small. Even with this beamfilling correction, tropical rainfall is still unrealistically low when the freezing level in the tropics (approx. 5 km) is used to specify the rain layer thickness. We restore realism by reducing the assumed averaged tropical rain layer thickness to 3 km, thereby accounting for the existence of warm rain processes in which the rain layer does not extend to the freezing level. Global rain rates are produced for the 1991 through 1994 period from observations taken by microwave radiometers (SSM/I) that are aboard two polar-orbiting satellites. We find that approximately 6% of the SSM/I observations detect measurable rain rates (R greater than 0.2 mm/h). Zonal averages of the rain rates show the peak at the intertropical convergence zone (ITCZ) is quite narrow in meridional extent and varies from about 7 mm/day in the winter to a maximum 11 mm/day in the summer. Very low precipitation rates (less than 0.3 mm/day) are observed in those areas of subsidence influenced by the large semipermanent anticyclones. In general, these features are similar to those reported in previously published rain climatologies. However, significant differences do exists between our rain rates and those produced by Spencer. These differences seem to be related to non-precipitating cloud water.

Wentz, Frank J.↗

High-Multiplicity Lead-Lead Interactions at 158 GeV/c per nucleon

The Krakow-Louisiana-Minnesota-Moscow Collaboration (KLMM) has exposed a set of emulsion chambers with lead targets to a 158 GeV/c per nucleon beam of Pb-208 nuclei, and we report the initial analysis of 40 high-multiplicity Pb-Pb collisions. To test the validity of the superposition model of nucleus-nucleus interactions in this new regime, we compare the shapes of the pseudorapidity distributions with FRITIOF Monte Carlo model calculations, and find close agreement for even the most central events. We characterize head-on collisions as having a mean multiplicity of 1550 +/- 120 and a peak pseudorapidity density of 390 +/- 30. These estimates are significantly lower than our FRITIOF calculations.

Deines-Jones, P.↗

Evidence for Tropopause Layer Moistening by Convection During CRYSTAL-FACE

Measurements and analysis of the impact of deep convection on tropopause layer moisture are easily confounded by difficulties making precise observations with sufficient spatial coverage before and after convective events and difficulties distinguishing between changes due to local convection versus large-scale advection. The interactions between cloud microphysics and dynamics in the convective transport of moisture into the tropopause layer also result in a sufficiently complex and poorly characterized system to allow for considerable freedom in theoretical models of stratosphere-troposphere exchange. In this work we perform detailed large-eddy simulations with an explicit cloud microphysics model to study the impact of deep convection on tropopause layer moisture profiles observed over southern Florida during CRYSTALFACE. For four days during the campaign (July 11, 16, 28, and 29) we initialize a 100-km square domain with temperature and moisture profiles measured prior to convection at the PARSL ground site, and initiate convection with a warm bubble that produces an anvil at peak elevations in agreement with lidar and radar observations on that day. Comparing the moisture field after the anvils decay with the initial state, we find that convection predominantly moistens the tropopause layer (as defined by minimum temperature and minimum potential temperature lapse rate), although some drying is also predicted in localized layers. We will also present results of sensitivity tests designed to separate the roles of cloud microphysics and dynamics.

Ackerman, A.↗

Understanding Atmospheric Absorption Effects on UV Spectra from Sounding Rockets using a Spherical-Shells Model

Our team is working on building and calibrating the FURST sounding rocket, with an expected launch in mid-2023. The goal is to image the most complete and highest resolution UV spectra to date. To do this, preciseradiometric and wavelength calibration techniques have been developed. We describe below our model of O2 atmospheric absorption and couple that with simulated FURST images. With a high-enough SNR, we canestimate our ability to use absorption peaks for calibration, or for back-calculating atmospheric properties. If data is available, this method could be applied to older sounding rocket data to find hidden science.

MSFC, NASA, UAH, CSPAR, FURST, MSU, SHINE, Aeronom↗

Understanding Atmospheric Absorption Effects on UV Spectra from Sounding Rockets using a Spherical-Shells Model

Our team is working on building and calibrating the FURST sounding rocket, with an expected launch in mid-2023. The goal is to image the most complete and highest resolution UV spectra to date. To do this, precise radiometric and wavelength calibration techniques have been developed. We describe below our model of O2 atmospheric absorption and couple that with simulated FURST images. With a high-enough SNR, we can estimate our ability to use absorption peaks for calibration, or for back-calculating atmospheric properties. If data is available, this method could be applied to older sounding rocket data to find hidden science.

MSFC, NASA, UAH, CSPAR, FURST, MSU, SHINE, Aeronom↗

An Updated Model for the Effect of Atmospheric Absorption on Sounding Rockets

Our team is working on building and calibrating the FURST sounding rocket, with an expected launch in mid-2023. The goal is to image the most complete and highest resolution UV spectra to date. To do this, precise radiometric and wavelength calibration techniques have been developed. We describe below our model of O2 atmospheric absorption and couple that with simulated FURST images. With a high-enough SNR, we can estimate our ability to use absorption peaks for calibration, or for back-calculating atmospheric properties. If data is available, this method could be applied to older sounding rocket data to find hidden science.

MSFC, NASA, UAH, CSPAR, SPA, FURST, MSU↗

Modeling Meteoroid Impacts on the Juno Spacecraft

Events which meet certain criteria from star-tracker images on board the Juno spacecraft have been proposed to be due to interplanetary dust particle impacts on its solar arrays. These events have been suggested to be caused by particles with diameters larger than 10 μm. Here, we compare the reported event rates to expected dust-impact rates using dynamical meteoroid models for the four most abundant meteoroid/dust populations in the inner solar system. We find that the dust-impact rates predicted by dynamical meteoroid models are not compatible with either the Juno observations in terms of the number of star-tracker events per day, or with the variations of dust flux on Juno's solar panels with time and position in the solar system. For example, the rate of star-tracker events on Juno's antisunward surfaces is the largest during a period in which Juno is expected to experience the peak impact fluxes on the opposite, sunward hemisphere. We also investigate the hypothesis of dust leaving the Martian Hill sphere originating either from the surface of Mars itself or from one of its moons. We do not find such a hypothetical source to be able to reproduce the star-tracker event-rate variations observed by Juno. We conclude that the star-tracker events observed by Juno are unlikely to be the result of instantaneous impacts from the zodiacal cloud.

Interplanetary dust↗

Chapter 2: Evaluating a Concentrating Solar Power Plantas an Extended-Duration Peaking Resource

We explore the ability of a concentrating solar power (CSP) plant with thermal energy storage (TES) to provide peaking capacity. We focus on future power systems, wherein net load patterns may be significantly different than they are today (e.g., due to higher renewable-energy penetrations). We examine 28 locations in the southwestern United States over an 18-year period. The hourly operation of the CSP plants are simulated to determine their potential to provide energy during an eight-hour peak-load window for each day up to 365 days per year. Our result shows that for the large majority of locations and years, CSP plants with certain configurations (i.e., in terms of solar field and TES sizes) can provide nearly 100% peak-load capacity. We examine also the amount of supplemental energy (e.g.,by using natural gas as a supplemental thermal-energy source) that would be required to ensure that a CSP plant could serve the eight highest-load hours of every day of the year. We find that in most cases, a CSP plant supplemented with natural gas would require less than 5% of the fuel that is used by a natural-gas fired power plant providing the same level of reliable capacity. A series of sensitivity analyses show that these results are robust to the number of peak-load hours and days that are considered and the configuration of the CSP plant.

capacity value↗

A Burst and Simultaneous Short-Term Pulsed Flux Enhancement From The Magnetar Candidate 1E 1048.1-5937

We report on the 2004 June 29 X-ray burst detected from the direction of the AXP 1E 1048.1-5937 using the RXTE. We find a simultaneous increase of approx. 3.5 times the quiescent value in the 2-10 keV pulsed flux of 1E 1048.1-5937 during the tail of the burst, which identifies the AXP as the burst s origin. The burst was overall very similar to the two others reported from the direction of this source in 2001. The unambiguous identification of 1E 1048.1-5937 as the burster here confirms that it was the origin of the 2001 bursts as well. The epoch of the burst peak was very close to the arrival time of 1E 1048.1-5937 s pulse peak. The burst exhibited significant spectral evolution, with the trend going from hard to soft. Although the average spectrum of the burst was comparable in hardness (Lambda approx. 1.6) to those,of the 2001 bursts, the peak of this burst was much harder (Lambda approx. 0.3). During the 11 days following the burst, the AXP was observed further with RXTE, XMM-Newton, and Chandra. Pre- and post-burst observations revealed no change in the total flux or spectrum of the quiescent emission. Comparing all three bursts detected thus far from this source, we find that this event was the most fluent (>3.3 x 10(exp-8 ergs/sq cm) in the 2-20 keV band), had the highest peak flux (59+/-9 x 10(exp -10)ergs/s/sq cm) in the 2-20 keV band), and had the longest duration (>699 s). The long duration of the burst difFerentiates it from SGR bursts, which have typical durations of approx.0.1 s. Bursts that occur preferentially at pulse maximum, have fast rises, and long X-tails containing the majority of the total burst energy have been seen uniquely from AXPs. The marked differences between AXP and SGRs bursts may provide new clues to help understand the physical differences between these objects.

Gavriil, Fotis P.↗

Optimal Gas-Electric Energy System Decarbonization Planning

As energy utilities implement climate change mitigation policies, system planners require strategies for achieving affordable emissions reductions. Coordinated planning of electric power and natural gas systems will allow synergistic investments to address cross-sector operational constraints, competing uses for net-zero emissions fuels, and shifts in energy demands across energy carriers. In this study, we develop a novel optimization program that finds the cost-minimizing mix of infrastructure expansion or reduction across gas and electric systems to satisfy sector-specific emissions constraints. Alongside energy supply resources, our framework allows for central-planning of end-use equipment stocks to allow switching between gas and electric appliances upon failure or premature replacement. The proposed model is used to simulate case study scenarios for a benchmark 24-pipe gas network coupled to a 24-node power system test network. We find that electrification of greater than 80% of core gas demands is a component of the least-cost solution for modeled energy systems. Despite this substitution, the gas system is maintained to service difficult-to-electrify customers and to deliver net-zero emissions gas to electricity generators in times of peak electricity demand. Restricting electrification of gas appliances increases reliance on power- to-gas technologies and increases annual costs by 15% in 2040. Neglecting constraints on pipeline blending of hydrogen can produce a misleading result that relies on hydrogen blend fractions of greater than 50%. In all cases, we find the average costs of delivered gas increase nearly 5-fold across the decarbonization transition, highlighting the importance of future work investigating cost-allocation strategies for ensuring an equitable energy transition.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Hydrodynamics of binary coalescence. 1: Polytropes with stiff equations of state

We performed a series of three-dimensional hydrodynamic calculations of binary coalescence using the smoothed particle hydrodynamics (SPH) method. The initial conditions are exact polytropic equilibrium configurations on the verge of dynamical instability. We consider synchronized equilbria only and concentrate on stiff equations of state, with adiabatic Gamma greater than 5/3. We assume that the polytropic constants (K identically equal to P/(rho(exp Gamma)) are the same for both components. These conditions apply well to models of neutron star binaries. Accordingly, we discuss our results in the context of the Laser Interferometer Gravitational-Wave Observatory (LIGO) project, and we calculate the emission of gravitational radiation in the quadruple approximation. The fully nonlinear development of the instability is followed using SPH until a new equilibrium configuration is reached by the system. We find that the properties of this final configuration depend sensitively on both the compressibility and mass ratio. An axisymmetric merged configuration is always produced when the adiabatic exponent Gamma approximately less than 2.3. As a consequence, the emission of gravitational radiation shuts off abruptly right after the onset of dynamical instability. In contrast, triaxial merged configurations are obtained when Gamma approximately greater than 2.3, and the system continues to emit gravitational waves after the final coalescence. Systems with mass ratios q not equal to 1 typically become dynamically unstable before the onset of mass transfer. Stable mass transfer from one neutron star to another in a close binary is therefore probably ruled out. For a mass ratio q approximately less than 0.5, however, dynamical mass transfer can temporarily retard the coalescence by causing a rapid reexpansion of the binary into a new, slightly eccentric but dynamically stable orbit. The maximum amplitude h(sub max) and peak luminosity L(sub max) of the gravitational waves emitted during the final coalescence are nearly independent of Gamma, but depend sensitively on the mass ratio q. The approximate scalings we find are h(sub max) varies as q(exp 2) and L(sub max) varies as q(exp 6) for q close to unity.

Rasio, Frederic A.↗

Process-dependent anisotropic thermal conductivity of laser powder bed fusion AlSi10Mg: impact of microstructure and aluminum-silicon interfaces

Purpose AlSi10Mg alloy is commonly used in laser powder bed fusion due to its printability, relatively high thermal conductivity, low density and good mechanical properties. However, the thermal conductivity of as-built materials as a function of processing (energy density, laser power, laser scanning speed, support structure) and build orientation, are not well explored in the literature. This study aims to elucidate the relationship between processing, microstructure, and thermal conductivity. Design/methodology/approach The thermal conductivity of laser powder bed fusion (L-PBF) AlSi10Mg samples are investigated by the flash diffusivity and frequency domain thermoreflectance (FDTR) techniques. Thermal conductivities are linked to the microstructure of L-PBF AlSi10Mg, which changes with processing conditions. The through-plane exceeded the in-plane thermal conductivity for all energy densities. A co-located thermal conductivity map by frequency domain thermoreflectance (FDTR) and crystallographic grain orientation map by electron backscattered diffraction (EBSD) was used to investigate the effect of microstructure on thermal conductivity. Findings The highest through-plane thermal conductivity (136 ± 2 W/m-K) was achieved at 59 J/mm 3 and exceeded the values reported previously. The in-plane thermal conductivity peaked at 117 ± 2 W/m-K at 50 J/mm 3 . The trend of thermal conductivity reducing with energy density at similar porosity was primarily due to the reduced grain size producing more Al-Si interfaces that pose thermal resistance. At these interfaces, thermal energy must convert from electrons in the aluminum to phonons in the silicon. The co-located thermal conductivity and crystallographic grain orientation maps confirmed that larger colonies of columnar grains have higher thermal conductivity compared to smaller columnar grains. Practical implications The thermal properties of AlSi10Mg are crucial to heat transfer applications including additively manufactured heatsinks, cold plates, vapor chambers, heat pipes, enclosures and heat exchangers. Additionally, thermal-based nondestructive testing methods require these properties for applications such as defect detection and simulation of L-PBF processes. Industrial standards for L-PBF processes and components can use the data for thermal applications. Originality/value To the best of the authors’ knowledge, this paper is the first to make coupled thermal conductivity maps that were matched to microstructure for L-PBF AlSi10Mg aluminum alloy. This was achieved by a unique in-house thermal conductivity mapping setup and relating the data to local SEM EBSD maps. This provides the first conclusive proof that larger grain sizes can achieve higher thermal conductivity for this processing method and material system. This study also shows that control of the solidification can result in higher thermal conductivity. It was also the first to find that the build substrate (with or without support) has a large effect on thermal conductivity.

Engineering↗

Gamma-ray burst data strongly favour the three-parameter fundamental plane (Dainotti) correlation over the two-parameter one

ABSTRACT Gamma-ray bursts (GRBs), observed to redshift z = 9.4, are potential probes of the largely unexplored z ∼ 2.7–9.4 part of the early Universe. Thus, finding relevant relations among GRB physical properties is crucial. We find that the Platinum GRB data compilation, with 50 long GRBs (with relatively flat plateaus and no flares) in the redshift range 0.553 ≤ z ≤ 5.0, and the LGRB95 data compilation, with 95 long GRBs in 0.297 ≤ z ≤ 9.4, as well as the 145 GRB combination of the two, strongly favour the 3D Fundamental Plane (Dainotti) correlation (between the peak prompt luminosity, the luminosity at the end of the plateau emission, and its rest-frame duration) over the 2D one (between the luminosity at the end of the plateau emission and its duration). The 3D Dainotti correlations in the three data sets are standardizable. We find that while LGRB95 data have ∼50 per cent larger intrinsic scatter parameter values than the better-quality Platinum data, they provide somewhat tighter constraints on cosmological-model and GRB-correlation parameters, perhaps solely due to the larger number of data points, 95 versus 50. This suggests that when compiling GRB data for the purpose of constraining cosmological parameters, given the quality of current GRB data, intrinsic scatter parameter reduction must be balanced against reduced sample size.

79 ASTRONOMY AND ASTROPHYSICS↗

Transport–Friendly Microstructure in SSC–MEA: Unveiling the SSC Ionomer–Based Membrane Electrode Assemblies for Enhanced Fuel Cell Performance

The significant role of the cathodic binder in modulating mass transport within the catalyst layer (CL) of fuel cells is essential for optimizing cell performance. This investigation focuses on enhancing the membrane electrode assembly (MEA) through the utilization of a short-side-chain perfluoro-sulfonic acid (SSC-PFSA) ionomer as the cathode binder, referred to as SSC-MEA. This study meticulously visualizes the distinctive interpenetrating networks of ionomers and catalysts, and explicitly clarifies the triple-phase interface, unveiling the transport-friendly microstructure and transport mechanisms inherent in SSC-MEA. The SSC-MEA exhibits advantageous microstructural features, including a better-connected ionomer network and well-organized hierarchical porous structure, culminating in superior mass transfer properties. Relative to the MEA bonded by long-side-chain perfluoro-sulfonic acid (LSC-PFSA) ionomer, noted as LSC-MEA, SSC-MEA exhibits a notable peak power density (1.23 W cm –2 ), efficient O 2 transport, and remarkable proton conductivity (65% improvement) at 65 °C and 70% relativity humidity (RH). These findings establish crucial insights into the intricate morphology-transport-performance relationship in the CL, thereby providing strategic guidance for developing highly efficient MEA.

25 ENERGY STORAGE↗