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At least 379 records · Page 21

An Orthogonal Recursive Bisection (ORB) Based Time Advancement Algorithm for CFD-DEM Solvers

The time integration of the granular phase in coupled computational fluid dynamics (CFD) – discrete element method (DEM) simulations presents a unique computational challenge brought about by the large variations in particle collisional time scales. Particles in the dilute regions of the computational domain can be advanced with large time steps while dense regions require much smaller time increments. However, the time step size in most solvers is globally set as the limit for accuracy and stability imposed by the collisions and is typically orders of magnitude less than that required away from collisions. This work addresses this precise issue and provides a strategy to avoid the use of a global conservative small time step size for the entire set of particles.A novel time stepping algorithm for CFD-DEM solvers using a partitioning approach using orthogonal recursive bisection (ORB) that allows for variable time steps among particles is described and its computational performance is compared against baseline explicit methods, typically used in several CFD-DEM solvers. ORB has advantages of being relatively quick and easy to update incrementally and has the required heuristic behavior (i.e., it will split the region in half with a cluster on each side) when groups of particles are well separated (clustered). The algorithm presented in this work uses a local time stepping approach to resolve collisional time scales for subsets of particles that are present at the leaves of the ORB, thereby resulting in substantial reduction of computational cost. The parallel implementation of this method where a ``knapsack” algorithm is used in tandem with ORB for effective load-balancing is also presented, where a best possible partitioning is obtained based on number of particles and local time-stepping costs. The algorithm is tested against benchmark problems with varying particle distributions that include fluidized bed and riser flow scenarios. Preliminary results indicate that the approach is 2-3X faster than traditional explicit methods for problems that involve both dense and dilute regions, while maintaining the same level of accuracy.

adaptive timestepping↗

Method for separation of coal conversion products from oxygen carriers

Complete fuel conversion represents an important, but unresolved, aspect in Chemical Looping Combustion (CLC). Different system design approaches are currently being investigated to maximize carbon conversion in the fuel reactor. To achieve greater than ninety percent conversion of the fuel in “fluid-bed” type reducers will require that CLC systems be equipped with additional process equipment to ensure that unburnt fuel leaving the reducer is minimized. This paper presents results obtained from a laboratory test system simulating a char stripper design comprising two components; one for separating large char particles, based on material density differentials, and another for removing small char particles from the oxygen carrier (OC) leaving the reducer, based on elutriation. A test unit was designed, built and operated to identify optimum conditions for separating OC material from unburnt solid fuel – char. The results obtained are necessary for designing a high temperature unit operated at temperatures expected within a CLC system.

01 COAL, LIGNITE, AND PEAT↗

Real-time simulation of asymmetry generation in fermion-bubble collisions

Motivated by the out-of-equilibrium dynamics during an early-Universe first-order phase transition, we perform real-time simulations of fermion-bubble scattering in 1 + 1 dimensions. This nonequilibrium process can generate a charge-conjugation C asymmetry outside the bubble wall, induced by the complex fermion mass profile. The resulting C asymmetry is the 1 + 1 -dimensional analog of the C P asymmetry in 3 + 1 dimensions, a key ingredient in baryon asymmetry generation at the electroweak scale. Using tensor network methods, we track the real-time evolution of the C asymmetry in the charge density as the fermion interacts with the bubble wall, a regime inaccessible to analytic calculations. We further introduce two observables to quantify the asymmetry in the asymptotic region where reflected particles are well separated from the scattering point: one based on the net charge outside the bubble wall, and the other on the spatial displacement between the reflected particle and antiparticle wave packets. Our study represents a first step toward nonperturbative, real-time computations of C P asymmetry in 3 + 1 dimensions for electroweak baryogenesis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

AERACEPT (AErosol Rapid Analysis Combined Entry Probe/sonde Technology) for the Nephele Venus Cloud Mission Concept

Nephele is a small atmospheric probe mission concept to determine whether the Venus clouds contain organic matter. Nephele complements larger missions that seek to conduct Venus atmospheric analyses, such as DAVINCI, Venera-D, and the Morning Star missions, by directly sampling and analyzing cloud and haze particles. AERACEPT is an aerosol sampling technology designed to minimize the mass, volume, and complexity required for in situ planetary atmosphere characterization. A single aeroshell functions as a combined entry vehicle, descent probe, and instrumented sonde, combining recent advances in thermal protection materials with heritage technology from planetary and airborne science. The velocity of descent drives aerosol through inlets embedded in the aeroshell’s thermal protection material; inertial separation isolates the particles from the gas stream; and the particle capture surface doubles as the analysis substrate. This method can work without heat shield separation, descent control, or active sample handling; these advantages trade against a smaller sample volume, higher risk of sample heating, and shorter time for analysis and data return. AERACEPT further benefits from modeling of the internal and external flow to understand the particle capture efficiency and bias for size and concentration distributions. AERACEPT is well suited for a Venus mission such as Nephele, where a passive descent trajectory is both subsonic over the altitudes of interest and provides sufficient velocity and pressure differential for the particle sizes of interest. A thermal and flow toolchain developed in-house (Traj→ DPLR→ PATO→ openFOAM) was used to model an 80-cm aeroshell with science operations 63–39 km. These models indicate that AERACEPT will provide ~24 µL accumulated sample of particles ≥ 0.2 µm, substantially above the 2 µL threshold requirement. The worst-case particle heating will be ~14 K above ambient, for the smallest particles at the lowest altitude; most particles will experience ≤ 1 K rise, at which almost all analytes of interest will be unaffected. Plasma jet testing of a small-scale aeroshell-material inlet was recently conducted to validate the thermal model parameters; wind tunnel testing to validate the flow model parameters is underway.

AERACEPT↗

Charge, energy, and LET spectra measurements of charged particles in P0006 experiment of LDEF

Measurements are under way of the charged particle radiation environment of the LDEF satellite using stacks of plastic nuclear track detectors (PNTDs) placed in different locations of the satellite. In the initial work, the charge, energy, and linear energy transfer (LET) spectra of charged particles were measured with CR-39 double layer PNTDs located on the west end of the satellite. Primary and secondary stopping heavy ions as well as relativistic galactic cosmic rays (mostly iron particles) were measured separately. The results will be compared with similar measurements in other locations on LDEF with different orientation and shielding conditions. The remarkably detailed study of the charged particle radiation environment of the LDEF satellite will lead to a better understanding of the radiation environment of the Space Station Freedom. It will enable more accurate prediction of single event upsets (SEUs) in microelectronics and, especially, more accurate assessment of the risk, contributed by the different components of the radiation field to the health and safety of crew members.

Benton, E. V.↗

Implementation of Charged Particle Behavior in Discrete Element Method (DEM) Simulations

To understand the behavior of charged lunar regolith when perturbed by lunar landers, it is important to couple the grain dynamics with mechanical and electrical particle interactions. To accomplish this, improvements have been made to a discrete element method (DEM) software package to include both short- and long-range interactions between spherical particles. Short-range interactions rely on contact between the particles, such as electrical conduction and triboelectric charge transfer driven by work functions. Long-range interactions act at a distance between every pairing of particles, such as electrostatic forces and gravitational forces. Results from simulations between a few particles are compared with theory to verify these added behaviors prior to scaling up to more complex scenarios. The radii, initial charges, electrical conductivities, work functions, and separation of the particles are varied and the resultant charges as well as the time required to reach the final state are determined.

Electrostatics↗

Reduced order modeling of mechanical degradation induced performance decay in lithium-ion battery porous electrodes

In this paper, a one-dimensional computational framework is developed that can solve for the evolution of voltage and current in a lithium-ion battery electrode under different operating conditions. A reduced order model is specifically constructed to predict the growth of mechanical degradation within the active particles of the carbon anode as a function of particle size and C-rate. Using an effective diffusivity relation, the impact of microcracks on the diffusivity of the active particles has been captured. Reduction in capacity due to formation of microcracks within the negative electrode under different operating conditions (constant current discharge and constant current constant voltage charge) has been investigated. At the beginning of constant current discharge, mechanical damage to electrode particles predominantly occurs near the separator. As the reaction front shifts, mechanical damage spreads across the thickness of the negative electrode and becomes relatively uniform under multiple discharge/charge cycles. Mechanical degradation under different drive cycle conditions has been explored. It is observed that electrodes with larger particle sizes are prone to capacity fade due to microcrack formation. Finally, under drive cycle conditions, small particles close to the separator and large particles close to the current collector can help in reducing the capacity fade due to mechanical degradation.

25 ENERGY STORAGE↗

Mesofluidic Oil-Water Separation

Separating flowing multiphase solutions in process at industrial scale is challenging. A rapid continuous approach is desired. These mesofluidic oil-water separation tests were motivated by reports by Dijkshoorn et al [1] who reported separating droplets and particles using displacement with regularly spaced channels using a cross-flow microsieve.. Droplets, including deformable particles, larger than the channel migrate in one direction and thereby deplete in the other direction. Test flowrates were motivated by Burns et al. [4] who showed that separation could occur under laminar conditions, and Pease et al [8, 9] who extended the range to turbulent flow. Testing was conducted using two two-component oil-water mixtures at room temperature. Analysis showed separation of both mineral oils from their oil water mixtures at flowrates from 1-2 L/min and concentrations from 2-10 wt% oil in water.

cloud height, effective cleaning radius, effective↗

Hydrodynamics of thermally driven chiral suspensions

Considerable effort has been directed towards the characterization of chiral mesoscale structures, as shown in chiral protein assemblies and carbon nanotubes. Here, we establish a thermally driven hydrodynamic description for the actuation and separation of mesoscale chiral structures in a fluid medium. Cross-flow of a Newtonian liquid with a thermal gradient gives rise to an effective torque that propels each particle of a chiral suspension according to its handedness. In turn, the chiral suspension alters the liquid flow, which thus acquires a transverse (chiral) velocity component. Since observation of the predicted effects requires a low degree of sophistication, our work provides an efficient and inexpensive approach to test and calibrate chiral particle propulsion and separation strategies.

Mechanics↗

Using Nanoparticle X-ray Spectroscopy to Probe the Formation of Reactive Chemical Gradients in Diffusion-Limited Aerosols

For aerosol particles that exist in highly viscous, diffusion-limited states, steep chemical gradients are expected to form during photochemical aging in the atmosphere. Under these conditions, species at the aerosol surface are more rapidly transformed than molecules residing in the particle interior. To examine the formation and evolution of chemical gradients at aerosol interfaces, the heterogeneous reaction of hydroxyl radicals (OH) on ~200 nm particles of pure squalane (a branched, liquid hydrocarbon) and octacosane (a linear, solid hydrocarbon) and binary mixtures of the two are used to understand how diffusion limitations and phase separation impact the particle reactivity. Aerosol mass spectrometry is used to measure the effective heterogeneous OH uptake coefficient (γ eff ) and oxidation kinetics in the bulk, which are compared with the elemental composition of the surface obtained using X-ray photoemission. When diffusion rates are fast relative to the reaction frequency, as is the case for squalane and low-viscosity squalane–octacosane mixtures, the reaction is efficient (γ eff ~ 0.3) and only limited by the arrival of OH to the interface. However, for cases, where the diffusion rates are slower than reaction rates, as in pure octacosane and higher-viscosity squalane–octacosane mixtures, the heterogeneous reaction occurs in a mixing-limited regime and is ~10× slower (γ eff ~ 0.03). This is in contrast to carbon and oxygen K edge X-ray absorption measurements that show that the octacosane interface is oxidized much more rapidly than that of pure squalane particles. The O/C ratio of the surface (estimated to be the top 6–8 nm of the interface) is measured to change with rate constants of (3.0 ± 0.9) × 10 –13 and (8.6 ± 1.2) × 10 –13 cm 3 molecule –1 s –1 for squalane and octacosane particles, respectively. The differences in surface oxidation rates are analyzed using a previously published reaction-diffusion model, which suggests that a 1–2 nm highly oxidized crust forms on octacosane particles, whereas in pure squalane, the reaction products are homogeneously mixed within the aerosol. This work illustrates how diffusion limitations can form particles with highly oxidized surfaces even at relatively low oxidant exposures, which is in turn expected to influence their microphysics in the atmosphere.

74 ATOMIC AND MOLECULAR PHYSICS↗

MCP-PMT development at Argonne for particle identification

The proposed high-energy high-luminosity polarized Electron-Ion Collider (EIC) demands excellent particle identification over a wide range of particles momenta to achieve the best separation between signal and background particles. Various Cherenkov imaging detector sub-systems are being considered in EIC detector concepts for hadron identification for particles momenta up to 50 GeV/c. One important challenge in this case is to provide a reliable highly pixelated photosensor working in the high radiation and high magnetic field environment. The recently commercialized Large Area Picosecond Photo-Detector (LAPPD) provides a promising low-cost photosensor solution for the various EIC Cherenkov imaging sub-systems. Optimization of the phtosensor design for high magnetic field tolerance, precision timing resolution, and pixelated readout was performed at Argonne National Laboratory with 6 x 6 cm(2) microchannel plate photomultipliers. The techniques and optimized design parameters would be transferrable to industrial partners for low-cost LAPPD production to achieve the demonstrated performance.

atomic layer deposition↗

Evaluation of results of cell electrophoresis experiments on space shuttle STS-3 including pre-flight and post-flight laboratory experiments

The objectives of the red blood cell experiments were to provide a visual check on the electrophoretic process and especially electroosmotic flow in space as well as to provide test separations of non-degradable standard particles for comparison with the separations of the three viable cell types studied on the Apollo-Soyuz Test Project. Determination of the maximum concentrations of cells that can be separated in column electrophore was a significant goal. Two of the eight columns were available for red cell experiments, so two concentrations of human and rabbit RBC mixtures were used. The objectives of another experiment were to evaluate the reproducibility of microgravity electrophoretic separation of living kidney cells, to separate cells with highly viability despite two freeze-thaw cycles, and to optimize the physical conditions of cell separation. Owing to the uncertain heterogeneity of the starting material, the experimental design does not assess resolution in microgravity, but improved separability was sought in comparison to density-gradient electrophoresis or continuous-flow electrophoresis. Efforts were made to increase cell yield and cell viability and to assess reproducibility directly.

Todd, P. W.↗

The Epiregolith

The physical properties of the lunar regolith were originally inferred from remotely sensed data, first from the Earth and later from orbiting spacecraft. The Surveyor landings and the Apollo surface explorations produced a more concrete characterization of the macroscopic properties. In general, the upper regolith consists of a loosely consolidated layer centimeters thick underlain by a particulate but extremely compacted layer to depths of meters or tens of meters. The median particle size as determined by mechanical sieving in terrestrial laboratories is several tens of micrometers. However, the comminuting processes that form the layer produce particles in all sizes down to manometers. The smallest particles, having a high surface to volume ratio, tend to be electrostatically bound to larger particles and are quite difficult to separate mechanically in the laboratory. Particle size distributions determined from lunar soil samples often group particles smaller than 10 micrometers.

Mendell, Wendell W.↗

System and apparatus for filtering particles

An apparatus includes a motor having a first shaft extending therefrom. The motor is configured to apply energy to the first shaft. A particle cartridge mechanically is coupled to the motor via the first shaft. The particle cartridge includes a screen separating an internal volume of the particle cartridge from an environment of the apparatus, and a plurality of particles disposed within the internal volume. A particle manipulation element is mechanically coupled to the first shaft and in contact with the plurality of particles. The particle manipulation element moves in response to the energy being applied to the first shaft to force some of the particles through the screen and into the environment of the apparatus.

42 ENGINEERING↗

Indirect Measurements of the Composition of Ultrafine Particles in the Arctic Late-Winter

In this work, we present indirect measurements of size-resolved ultrafine particle composition conducted during the Ocean-Atmosphere-Sea Ice-Snowpack (OASIS) Campaign in Utqiagvik, Alaska, during March 2009. This study focuses on measurements of size-resolved particle hygroscopicity and volatility measured over two periods of the campaign. During a period that represents background conditions in this location, particle hygroscopic growth factors (HGF) at 90% relative humidity ranged from 1.45 to 1.51, which combined with volatility measurements suggest a mixture of ~30% ammoniated sulfates and ~70% oxidized organics. Two separate regional ultrafine particle growth events were also observed during this campaign. Event 1 coincided with elevated levels of H2SO4 and solar radiation. These particles were highly hygroscopic (HGF = 2.1 for 35 nm particles), but were almost fully volatilized at 160 °C. The air masses associated with both events originated over the Arctic Ocean. Event 1 was influenced by the upper marine boundary layer (200–350 m AGL), while Event 2 spent more time closer to the surface (50–150 m AGL) and over open ocean leads, suggesting marine influence in growth processes. Event 2 particles were slightly less hygroscopic (HGF = 1.94 for 35 nm and 1.67 for 15 nm particles), and similarly volatile. We hypothesize that particles formed during both events contained 60–70% hygroscopic salts by volume, with the balance for Event 1 being sulfates and oxidized organics for Event 2. These observations suggest that primary sea spray may be an important initiator of ultrafine particle formation events in the Arctic late-winter, but a variety of processes may be responsible for condensational growth.

54 ENVIRONMENTAL SCIENCES↗

Continuous Particle Monitoring and Removal for Molten Chloride CSP Systems

This report describes the technologies that were developed as part of the Continuous Particle Monitoring and Removal for Molten Chloride CSP Systems project that was funded by the EERE Solar Energy Technologies Office during FY2021. This project consisted of two main tasks: (1) the development electrical resistance tomography (ERT) sensors to provide particle sensing capabilities for CSP-relevant molten chloride salts, and (2) the development of vortex separation technologies to enable efficient removal of particles from the salt. Both of these tasks are crucial because, although the Gen3 CSP chloride heat transfer fluid is inexpensive and can achieve high temperatures, major issues with erosion corrosion and clogging can arise from the presence of MgO particles within the salt. The particle monitoring and removal technologies were both demonstrated over the course of this project. The ERT sensors were able to achieve their performance targets by providing accurate particle concentration measurements over a range from 0.0 to 8.0 wt%. The vortex separators were able to demonstrate separation of particles from molten salt streams, but the separation efficiencies were lower than the targeted level of 90%. With further development and deployment, these technologies will ultimately help to enable successful long-term operations of CSP systems that make use of high-temperature chloride salts.

14 SOLAR ENERGY↗

Near-field radiative heat transfer between irregularly shaped dielectric particles modeled with the discrete system Green's function method

Near-field radiative heat transfer (NFRHT) between irregularly shaped dielectric particles made of SiO 2 and morphology characterized by Gaussian random spheres is studied. Particles are modeled using the discrete system Green's function (DSGF) approach, which is a volume integral numerical method based on fluctuational electrodynamics. This method is applicable to finite, three-dimensional objects, and all system interactions are defined independent of thermal excitation by a generalized system Green's function. The DSGF method is deemed suitable to model NFRHT between irregularly shaped particles after verification against the analytical solution for chains of two and three SiO 2 spheres. The NFRHT results reveal that geometric irregularity in particles leads to a reduction of the total conductance from that of comparable perfect spheres at vacuum separation distances smaller than the particle size, a regime in which NFRHT is a surface phenomenon. At vacuum separation distances larger than the particle size, NFRHT becomes a volumetric process, and the total conductance between irregularly shaped particles converges to that of comparable perfect spheres. Spectral analysis reveals, however, that particle irregularity leads to damping and broadening of resonances at all separation distances, thereby highlighting the importance of the DSGF method for spectral engineering in the near field. The reduced spectral coherence when particle size is larger than the vacuum separation distance is attributed to coupling of surface phonon-polaritons within the randomly generated, distorted particle features. For particle size smaller than the vacuum separation distance, resonance broadening and damping are linked with the multiple localized surface phonon modes supported by the composite spherical harmonic morphologies of the Gaussian random spheres. In conclusion, this paper has direct implications for thermal management of packed particle systems, with applications in radiative property control, electronics, energy conversion, and nanomanufacturing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Diurnal Forcing of Planetary Atmospheres

Much progress has been made on calculations of the Martian seasonal water cycle using the Mars Climate Model developed for this purpose. Two papers, documenting the model and the water transport results obtained with it have been published in the Journal of Geophysical Research - Planets. An additional paper describing results related to the evolution of the seasonal water cycle as a result of orbital changes was published in Advances in Space Research. Since that time, further studies have concentrated on the consequences of the soil adsorption required to match the observed water cycle and its relation to the stability of ground ice and other potential water reservoirs. Earth-related studies have concentrated on incorporating an efficient and realistic microphysical model into the Ames Stratospheric General Circulation Model used to simulate the spread of the ML Pinatubo and other volcanic clouds in the stratosphere. In addition, visualizations of the simulations are being incorporated into a video describing the UARS mission. A paper describing the new stratospheric aerosol microphysics package (and its consequences for volcanic cloud evolution) will be submitted in the near future. The paper will discuss the relative importance of condensation and coagulation to early particle growth and the separation of the cloud by sedimentation of the larger particles. A more general paper which highlights the observation that particle number densities did not increase dramatically after the ML Pinatubo eruption is planned. Simulations of atmospheric transport will be extended to include studies of terrestrial tropospheric tracers using the Fifth-Generation Penn State/NCAR Mesoscale Model.

Houben, Howard C.↗