Atmospheric ice nucleating particle measurements and parameterization representative for Indian region
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Anil Kumar, V.↗
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Leaching Model of Radionuclides in Metal-Organic Framework Particles
Metal-organic frameworks (MOFs) have been used to sequester radionuclides and seal them inside of porous scaffolds using postsynthetic modification procedures. Experiments show that certain Zr-MOF with different capping linkers significantly affects the radionuclide release kinetics. In this work, we developed a leaching model of radionuclides in Zr-MOF particles. The model assumes that uranyl species occupy two energetically favored sites: the metal node and the MOF pores. For a given overall concentration of uranyl species, the partitions of uranyl species at the metal nodes and within the pores are determined by their chemical potentials. The model also considers the effect of particle surface and concentration on chemical potentials and diffusivity. The effects of spatial and structural dependent chemical potentials and diffusivity as well as particle sizes on leaching kinetics are investigated with the model. Predicted and measured uranyl leaching kinetics in Zr-MOF particles under batch experiments are compared. The results demonstrate the model’s capability for exploring the mechanisms of leaching and provide guidance for material design.
Metal-Organic Framework, Diffusion, uranyl, Leachi↗
Efficient bi-directional coupling of 3D computational fluid-particle dynamics and 1D Multiple Path Particle Dosimetry lung models for multiscale modeling of aerosol dosimetry
The development of predictive aerosol dosimetry models has been a major focus of environmental toxicology and pharmaceutical health research for decades. One-dimensional (1D) models successfully predict overall deposition averages but fail to accurately predict local deposition. Computational fluid-particle dynamics (CFPD) models provide site-specific predictions but at a computational cost that prohibits whole lung predictions. Thus, there is a need for developing multiscale strategies to provide a realistic subject-specific picture of the fate of inhaled aerosol in the lungs. CT-based 3D/CFPD models of the large airways were bidirectionally coupled with individualized 1D Navier-Stokes airflow and particle transport based upon the widely used Multiple Path Particle Dosimetry Model (MPPD). Distribution of airflows among lobes was adjusted by measured lobar volume changes observed in CT images between FRC and FRC + 1.5 L. Additionally, as a test of the effectiveness of the coupling procedures, deposition modeling of previous 1 µm aerosol exposure studies was performed. The complete coupled model was run for 3 breaths, with the computation-intense portion being the 3D CFD Lagrangian particle tracking calculation. The average deposition per breath was 11% in the combined multiscale model with site-specific doses available in the CFPD portion of the model and airway- or region-specific deposition available for the MPPD portion. In conclusion, the key methods developed in this study enable predictions of ventilation heterogeneities and aerosol deposition across the lungs that are not captured by 3D or 1D models alone. Overall, these methods can be used as the foundation for multi-scale modeling of the full respiratory system.
60 APPLIED LIFE SCIENCES↗
Gyrokinetic particle simulations of interactions between energetic particles and magnetic islands induced by neoclassical tearing modes
Interactions between energetic particles (EPs) and neoclassical tearing mode (NTM) islands in the DIII-D tokamak are studied using the global gyrokinetic toroidal code (GTC). GTC simulations find that the EP radial profile is partially flattened within the magnetic island regions and that there are stochastic regions in the particle phase space. Radial particle flux is induced mainly around the magnetic island regions and decreases with time to almost zero when the initial EP distribution achieves a new steady-state in the absence of EP sources. Stochastic regions of magnetic field lines induced by the superposition of multiple islands have weak effects on the particle flux when the width of stochastic regions is smaller than the EP drift orbit width. In conclusion, the perturbed parallel EP current induced by the magnetic islands has weak stabilizing effects on the linear growth rate of the NTM instability in this DIII-D experiment.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Radiative absorption enhancements by black carbon controlled by particle-to-particle heterogeneity in composition
Black carbon (BC) absorbs solar radiation, leading to a strong but uncertain warming effect on climate. A key challenge in modeling and quantifying BC’s radiative effect on climate is predicting enhancements in light absorption that result from internal mixing between BC and other aerosol components. Modeling and laboratory studies show that BC, when mixed with other aerosol components, absorbs more strongly than pure, uncoated BC; however, some ambient observations suggest more variable and weaker absorption enhancement. We show that the lower-than-expected enhancements in ambient measurements result from a combination of two factors. First, the often used spherical, concentric core-shell approximation generally overestimates the absorption by BC. Second, and more importantly, inadequate consideration of heterogeneity in particle-to-particle composition engenders substantial overestimation in absorption by the total particle population, with greater heterogeneity associated with larger model–measurement differences. We show that accounting for these two effects—variability in per-particle composition and deviations from the core-shell approximation—reconciles absorption enhancement predictions with laboratory and field observations and resolves the apparent discrepancy. Furthermore, our consistent model framework provides a path forward for improving predictions of BC’s radiative effect on climate.
54 ENVIRONMENTAL SCIENCES↗
Stable heat and particle flux detachment with efficient particle exhaust in the island divertor of Wendelstein 7-X
The island divertor concept is an innovative and promising idea to handle heat and particle exhaust in stellarators. At the Wendelstein 7-X (W7-X) stellarator, this divertor concept plays a central role in the device mission to demonstrate reactor relevant plasma confinement for steady-state time scales of up to 30 minutes in the high-performance campaign (OP2) starting in 2022. During the recently concluded first campaign with the inertially cooled island divertor, a large step in the experimental qualification of this divertor concept has been made. In discharges heated with electron cylotron resonance heating of 5-6 MW, central densities in the range of 0.7-1.2 × 10 20 m -3 have been reached in combination with full divertor heat flux detachment. Also, significant neutral gas pressures and neutral compression ratios were shown for the first time in combination with reduced divertor particle flux. The divertor heat loads drop by an order of magnitude from >5 MW m -2 to below 0.5 MW m-2 with increasing density, and substantial compression of neutrals reaching neutral pressure in the sub-divertor volume of >6.0 × 10 -4 mbar was seen. These elevated neutral pressure levels can be obtained and maintained with an up to 80% reduction of the particle fluxes onto the divertor target tiles. This discharge scenario was held stably detached for up to 28 seconds, which is equivalent to several hundred energy confinement times τ E and longer than the time scales for current relaxation. No impurity accumulation was seen at constant Z eff ≈ 1.5 and the stored energy stayed constant at levels of W dia >600 kJ. The level of neutral pressure and compression reached in this scenario extrapolates well to the steady-state particle exhaust requirements for high-performance steady-state operation in OP2, in which the fully actively cooled high-heat-flux divertor will be available. Finally, an overview of this recently discovered divertor regime is given and the status of the physics understanding based on modeling of these regimes with the EMC3-EIRENE code is presented.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
The MFiX Particle-in-Cell Method (MFiX-PIC) Theory Guide
MFiX (Multiphase Flow with Interphase eXchanges) is an open-source multiphase flow solver developed at the National Energy Technology Laboratory. Within the code, users have access to a single phase or interpenetrating continua-based multiphase two-fluid model (TFM), a discrete element model (DEM), and a particle-in-cell model (PIC). TFM, DEM, and PIC can all be used to create multiphase simulations that include hydrodynamics, chemical reactions, and heat transfer.
01 COAL, LIGNITE, AND PEAT↗
Fluidization of Group A Glass Particles: Experiments and Preliminary Validation
This work is aimed at providing reliable high-quality data from fluidization experiments. Geldart Group A glass beads are used as bed material. The fluidizing medium is air at atmospheric pressure which enters the system at 40% relative humidity. The air inlet velocity is varied over a broad range from 2 U mf to 26 U mf , where the minimum fluidization velocity, U mf , is 0.608 cm/s. There is not a significant change in the mean values of differential pressure; however, there are noticeable trends in their standard deviation values. Preliminary validation studies are performed using the open-source software Multiphase Flow with Interphase eXchanges (MFiX) developed by the National Energy Technology Laboratory (NETL). The results from Eulerian-Eulerian (MFiX-TFM, two-fluid model) and Eulerian-Lagrangian (MFiX-PIC, particle-in-cell) formulations are compared. The work presented in this report highlights the applicability of MFiX-PIC for large-scale applications, and reveals that PIC simulation offers a suitable alternative to TFM simulation when effects due to multiple components or polydispersity are significant. PIC modeling provides a readily extendible framework for such systems. However, PIC models do rely on an empirical closure for inter-particle stress. Some solution discrepancies were evident in MFiX-PIC predictions which require further analysis. As such, the study underlines the need for a systematic approach to quantify the sources of numerical uncertainty within the PIC model. However, even with known empiricism, MFiX-PIC has demonstrated considerable potential in analyzing gas-solid systems. The results obtained are encouraging and warrant further investigation to improve the predictive capability of MFiX-PIC.
36 MATERIALS SCIENCE↗
QED Meson Description of the Anomalous Particles at ∼17 and ∼38 MeV
The Schwinger confinement mechanism stipulates that a massless fermion and a massless antifermion are confined as a massive boson when they interact in the Abelian QED interaction in (1+1)D.If we approximate light quarks as massless and apply the Schwinger confinement mechanism to quarks, we can infer that a light quark and a light antiquark interacting in the Abelian QED interaction are confined as a QED meson in (1+1)D. Similarly, a light quark and a light antiquark interacting in the QCD interaction in the quasi-Abelian approximation will be confined as a QCD meson in (1+1)D. The QED and QCD mesons in (1+1)D can represent physical mesons in (3+1)D when the flux tube radius is properly taken into account. Such a theory leads to a reasonable description of the masses of π0,η, and η′, and its extrapolation to the unknown QED sector yields an isoscalar QED meson at about 17 MeV and an isovector QED meson at about 38 MeV. The observations of the anomalous soft photons, the hypothetical X17 particle, and the hypothetical E38 particle bear promising evidence for the possible existence of the QED mesons. Pending further confirmation, they hold important implications on the properties on the quarks and their interactions.
Wong, Cheuk-Yin (ORCID:0000000182230659)↗
Observations of particle number size distributions and new particle formation in six Indian locations
Atmospheric new particle formation (NPF) is a crucial process driving aerosol number concentrations in the atmosphere; it can significantly impact the evolution of atmospheric aerosol and cloud processes. This study analyses at least 1 year of asynchronous particle number size distributions from six different locations in India. We also analyze the frequency of NPF and its contribution to cloud condensation nuclei (CCN) concentrations. We found that the NPF frequency has a considerable seasonal variability. At the measurement sites analyzed in this study, NPF frequently occurs in March–May (pre-monsoon, about 21% of the days) and is the least common in October–November (post-monsoon, about 7% of the days). Considering the NPF events in all locations, the particle formation rate (J SDS ) varied by more than 2 orders of magnitude (0.001–0.6 cm –3 s –1 ) and the growth rate between the smallest detectable size and 25nm (GR SDS-25nm ) by about 3 orders of magnitude (0.2–17.2nm h –1 ). We found that J SDS was higher by nearly 1 order of magnitude during NPF events in urban areas than mountain sites. GR SDS did not show a systematic difference. Our results showed that NPF events could significantly modulate the shape of particle number size distributions and CCN concentrations in India. The contribution of a given NPF event to CCN concentrations was the highest in urban locations (4.3 × 10 3 cm –3 per event and 1.2 × 10 3 cm –3 per event for 50 and 100nm, respectively) as compared to mountain background sites (2.7 × 10 3 cm –3 per event and 1.0 × 10 3 cm –3 per event, respectively). We emphasize that the physical and chemical pathways responsible for NPF and factors that control its contribution to CCN production require in situ field observations using recent advances in aerosol and its precursor gaseous measurement techniques.
54 ENVIRONMENTAL SCIENCES↗
Systems and methods for shielding falling particles within a solar thermal falling particle receiver
Systems and methods for falling particle receivers are disclosed that include shield or deflector structures around the receiver aperture to reduce wind effects and/or heat losses from the falling particles. External and internal structures are disclosed that can be tailored to reduce particle, thermal, and radiative losses from within the cavity receiver due to external wind and the falling particles that are irradiated within the receiver. Structures of varying shapes, sizes, and composition (transparent, reflective) are described.
14 SOLAR ENERGY↗
A performant energy-conserving particle reweighting method for Particle-in-Cell simulations
A new particle-based reweighting method is developed and demonstrated in the Aleph Particle-in-Cell with Direct Simulation Monte Carlo (PIC-DSMC) program. Novel splitting and merging algorithms ensure that modified particles maintain physically consistent positions and velocities. This method allows a single reweighting simulation to efficiently model plasma evolution over orders of magnitude variation in density, while accurately preserving energy distribution functions (EDFs). Demonstrations on electrostatic sheath and collisional rate dynamics show that reweighting simulations achieve accuracy comparable to fixed weight simulations with substantial computational time savings. This highly performant reweighting method is recommended for modeling plasma applications that require accurate resolution of EDFs or exhibit significant density variations in time or space.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Simultaneous Insight into Dissolution and Aggregation of Metal Sulfide Nanoparticles through Single-Particle Inductively Coupled Plasma Mass Spectrometry
Nanoparticles (NPs) and their colloidal aggregates are ubiquitous and play important roles in the transport and release of metals. Knowledge of their dissolution rates and aggregation behavior in solution are crucial for better prediction of their fate in biogeochemical cycling, ecotoxicity, and environmental remediation. There are however significant technical challenges to accurately obtain such information as a result of the heterogeneity and highly dynamic transformation exhibited by NPs, particularly at relatively low particle concentrations in aqueous systems. Here, we quantitatively examine the simultaneous dissolution and aggregation behavior of metal sulfide NPs using single-particle inductively coupled plasma mass spectrometry (spICP–MS). We focus on nickel sulfide (NiS), with additional data presented for copper sulfide (CuS) and cobalt sulfide (CoS). The kinetics of metal release (dissolution and disaggregation) of NiS was fastest under strongly oxidizing conditions (from 0.04 to >3 min –1 with H 2 O 2 ) and were slower under near-neutral (HEPES buffer/H 2 O) and acidic (1 mM HNO 3 ) conditions (≤0.006 min –1 ). Metal release kinetics in HNO 3 was not faster than in H 2 O or HEPES, suggesting that the solution pH has an influence over both the dissolution kinetics of individual particles and the NP aggregation states, which in combination affect metal release rates over time. Between different metal sulfides, the measured metal release rates were largely consistent with predictions based on the crystallinity, solubility products, and specific surface areas of the NPs, following an order of CoS > NiS > CuS. Here, the spICP–MS approach described here can be easily applied to the characterization of metal release and aggregation of other NPs at low concentrations (~10 5 particles/mL) typically found in natural environments.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
High concentration of ultrafine particles in the Amazon free troposphere produced by organic new particle formation
The large concentrations of ultrafine particles consistently observed at high altitudes over the tropics represent one of the world’s largest aerosol reservoirs, which may be providing a globally important source of cloud condensation nuclei. However, the sources and chemical processes contributing to the formation of these particles remain unclear. Here we investigate new particle formation (NPF) mechanisms in the Amazon free troposphere by integrating insights from laboratory measurements, chemical transport modeling, and field measurements. To account for organic NPF, we develop a comprehensive model representation of the temperature-dependent formation chemistry and thermodynamics of extremely low volatility organic compounds as well as their roles in NPF processes. We find that pure-organic NPF driven by natural biogenic emissions dominates in the uppermost troposphere above 13 km and accounts for 65 to 83% of the column total NPF rate under relatively pristine conditions, while ternary NPF involving organics and sulfuric acid dominates between 8 and 13 km. The large organic NPF rates at high altitudes mainly result from decreased volatility of organics and increased NPF efficiency at low temperatures, somewhat counterbalanced by a reduced chemical formation rate of extremely low volatility organic compounds. These findings imply a key role of naturally occurring organic NPF in high-altitude preindustrial environments and will help better quantify anthropogenic aerosol forcing from preindustrial times to the present day.
54 ENVIRONMENTAL SCIENCES↗
Classification of Cloud Particle Imagery and Thermodynamics (COCPIT): A New Databasing Tool for the Characterization of Cloud Particle Images Captured During DOE Field Campaigns
The Department of Energy for decades has explored the earth system and atmosphere through research and deployment of in-situ and remote sensing platforms during field campaigns. Among these datasets exists a vast supply of cloud particle images that provide visual insight into the complex microphysics in the clouds that span our globe. The millions of images collected over decades of deployments provides a unique opportunity to further our understanding of our atmosphere down to the crystal size. This work over the past 5 years has sought to organize these images into digestible datasets that can then be used by scientists to further our understanding of microphysics. A machine learning model was developed that categorizes over 1.5 million images across 11 weather events with over 90% accuracy according to particle type. The database was then extended to include dimensional characteristics of the particle as well as co-location of environmental properties, such as temperature and water content. Then, to initialize the connection between these data and our understanding of how crystals form and grow, weather research and forecasting simulations were run to generate the growth histories of the classified crystals. This research culminates with 2 databases per event: (1) a database of all classified crystals and their dimensional and environmental properties and (2) simulated growth histories of each crystal. Finally, a user interface was created to allow researchers to explore data statistics.
54 ENVIRONMENTAL SCIENCES↗
A stochastic covariance shrinkage approach to particle rejuvenation in the ensemble transform particle filter
Rejuvenation in particle filters is necessary to prevent the collapse of the weights when the number of particles is insufficient to properly sample the high-probability regions of the state space. Rejuvenation is often implemented in a heuristic manner by the addition of random noise that widens the support of the ensemble. This work aims at improving canonical rejuvenation methodology by the introduction of additional prior information obtained from climatological samples; the dynamical particles used for importance sampling are augmented with samples obtained from stochastic covariance shrinkage. A localized variant of the proposed method is developed. Numerical experiments with the Lorenz '63 model show that modified filters significantly improve the analyses for low dynamical ensemble sizes. Furthermore, localization experiments with the Lorenz '96 model show that the proposed methodology is extendable to larger systems.
54 ENVIRONMENTAL SCIENCES↗
Kinetic Plasma Simulation Capabilities in the MOOSE Framework: Verification of Particle-Particle Collisions
High-fidelity simulations of complex plasma systems allow researchers to gain key insights into and understanding of these systems. To facilitate massively parallel high-fidelity plasma simulations, finite-element-based particle-in-cell capabilities are being developed within the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) based framework called Software for Advanced Large-scale Analysis of MAgnetic confinement for Numerical Design, Engineering & Research (SALAMANDER). While SALAMANDER’s primary objective is modeling edge plasmas and plasma-facing components in fusion devices, the particle-in-cell capabilities being developed are general and will support modeling low-temperature plasmas as well. Previously, collisionless magnetostatic simulation capabilities have been verified with the two-stream and Dorey-Guest-Harris instabilities, and single particle motion. Collisions were implemented using the direct simulation Monte Carlo method, and verification of this capability will be presented here several verification problems: relaxation of a randomly initialized gas to a Maxwellian distribution, Fourier heat flow, and comparison of reaction rates to both analytic calculations and those calculated using a multi-term Boltzmann solver.
70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Search for long-lived neutral particles produced in pp collisions at root s=13 TeV decaying into displaced hadronic jets in the ATLAS inner detector and muon spectrometer
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72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗