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At least 217 records · Page 12

Concepts for Actinide Recovery from TRISO Used Nuclear Fuel

The work described in this report has developed a preliminary conceptual flowsheet based on limited published literature for the head-end of a TRISO oxycarbide UNF reprocessing plant. The essential function of the head-end is to prepare the UNF for subsequent separation of actinides. The main steps of the conceptual TRISO UNF head-end reprocessing flowsheet are: 1. Fragmentation of the graphite moderator to expose the fuel particles. 2. Separation of fuel particles from fragmented graphite moderator by sieving and fluidization. 3. Fragmentation of the fuel particles to expose the fuel kernel. 4. Dissolution of the fuel kernel in nitric acid. Noteworthy at this step is the formation of organic acids (mainly oxalic and mellitic acids) from the carbon associated with the fuel and TRISO coatings. These acids can interfere with actinide separations and solvent extraction hydraulic performance and carbon dioxide gas generation. 5. Clarification of the dissolved fuel solution to separate the coating fragments. 6. Dissolver off-gas treatment with specific emphasis on managing generation of carbon dioxide gas containing carbon-14. The quantity of carbon dioxide is projected to be 100 to 1000 times greater than that arising from dissolving LWR UNF. Pre or post treatment of the exposed fuel kernels could be undertaken to mitigate the formation of organic acids but there still exists a significant off-gas treatment challenge. The literature on reprocessing uranium nitride UNF was reviewed but a flowsheet was not specifically developed since its scope and uncertainties are expected to be encompassed by the oxycarbide flowsheet. Overall, the predominant feature of processing TRISO UNF is carbon management to reduce waste volume and mitigate the formation of carbon dioxide and organic acids. This report recommends broad areas of research that will help to further define the head-end flowsheet.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Analysis of buffer-IPyC separation in TRISO fuel particles

During High Temperature Gas-cooled Reactor (HTGR) operation, and due to the neutron irradiation in the reactor core, damage of the nuclear fuel coating layers occurs. The mechanism of damage formation in the TRISO fuel is explored by the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program, in which the debonding process between coating layers was also investigated. The purpose of this paper is to report simulation results for two models. Firstly, the debonding restricted model, where no gap formation between buffer and IPyC layers is permitted. Secondly, a debonding enabled model, where the gap between those layers is created. The simulations were performed with the Bison code. The inputs of the simulated models are based on data from the AGR-1 experiment. Further, the research included simulations on spherical and aspherical fuel types. The simulations match results obtained by the AGR-1 experiment, which as such shows that the Bison code is a good computational method for simulating the behavior of the gap between buffer and IPyC layers in TRISO fuel. Based on the irradiation experiments, and the Bison simulations, it was concluded that the most common scenario is a gap formation along the buffer-IPyC interface, while the least possible scenario is the situation where there is no gap formation at the buffer-IPyC junction. The computational results confirmed that the sphericity of the fuel influences the thickness of the gap that occurs at the buffer-IPyC junction, in a way that with increasing aspect ratio the gap thickness increases. In addition, the fuel sphericity does not influence the Weibull failure probability. The results obtained for spherical and aspherical fuel are nearly identical.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Neutrino interaction vertex reconstruction in DUNE with Pandora deep learning

The Pandora Software Development Kit and algorithm libraries perform reconstruction of neutrino interactions in liquid argon time projection chamber detectors. Pandora is the primary event reconstruction software used at the Deep Underground Neutrino Experiment, which will operate four large-scale liquid argon time projection chambers at the far detector site in South Dakota, producing high-resolution images of charged particles emerging from neutrino interactions. While these high-resolution images provide excellent opportunities for physics, the complex topologies require sophisticated pattern recognition capabilities to interpret signals from the detectors as physically meaningful objects that form the inputs to physics analyses. A critical component is the identification of the neutrino interaction vertex. Subsequent reconstruction algorithms use this location to identify the individual primary particles and ensure they each result in a separate reconstructed particle. A new vertex-finding procedure described in this article integrates a U-ResNet neural network performing hit-level classification into the multi-algorithm approach used by Pandora to identify the neutrino interaction vertex. The machine learning solution is seamlessly integrated into a chain of pattern-recognition algorithms. The technique substantially outperforms the previous BDT-based solution, with a more than 20% increase in the efficiency of sub-1 cm vertex reconstruction across all neutrino flavours.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Electrophoretic separation of cells and particles from rat pituitary

In spite of the fact that a vast majority of the electrophoresis effort (approximately 90%) could not be done on this mission (IML-2) due to failure of FFEU hardware, we find some interesting differences in flight samples obtained from other parts of the experiment. These differences are entirely novel and sometimes unexpected. This report is organized into 4 parts. Each part describes the data collected thus far from each of the 4 cell culture kits (CCK) which flew in space. Each CCK was loaded with 40x10(exp 6) fresh pituitary cells; all CCK's were identical at the start of the experiment because we prepared one pool of cells.

Hymer, W. C.↗

Bi-Modal Model for Neutron Emissions from PuO{sub 2} and MOX Holdup

The measurement of uranium and plutonium holdup in plants during process activity and for decommissioning is important for nuclear safeguards and material control. The amount of plutonium and uranium holdup in glove-boxes, pipes, ducts, and other containers has been measured for several decades using both neutron and gamma-ray techniques. For the larger containers such as hot cells and glove-boxes that contain processing equipment, the gamma-ray techniques are limited by self-shielding in the sample as well as gamma absorption in the equipment and associated shielding. The neutron emission is more penetrating and has been used extensively to measure the holdup for the large facilities such as the MOX processing and fabrication facilities in Japan and Europe. In some case the totals neutron emission rates are used to determine the holdup mass and in other cases the coincidence rates are used such as at the PFPF MOX fabrication plant in Japan. The neutron emission from plutonium and MOX has 3 primary source terms: 1) Spontaneous fission (SF) from the plutonium isotopes, 2) The (α,n) reactions from the plutonium alpha particle emission reacting with the oxygen and other impurities, and 3) Neutron multiplication (M) in the plutonium and uranium as a result of neutrons created by the first two sources. The spontaneous fission yield per gram is independent of thickness, whereas, the above sources 2) and 3) are very dependent on the thickness of the deposit. As the effective thickness of the deposit becomes thin relative to the alpha particle range, the (α,n) reactions and neutrons from multiplication (M) approach zero. In any glove-box, there will always be two primary modes of holdup accumulation, namely direct powder contact and non-contact by air dispersal. These regimes correspond to surfaces in the glove-box that have come into direct contact with the process MOX powder versus surface areas that have not had direct contact with the powder. The air dispersal of PuO{sub 2} particles has been studied for several decades by health physicists, because the primary health hazard of plutonium is breathing the airborne particles. The air dispersal mechanism results from the smaller particles in the top layer of powder that are lifted into the air by the electrostatic charge buildup from the alpha decay process, and the air convection carries the particles to new more distant locations. If there is open plutonium powder in a glove-box, the surfaces at more distant locations will become contaminated over time. The range of an alpha particle in a solid or powder is a function of the particle energy, the material density, and the atomic number A of the material. The average energy of a plutonium alpha particle is ∼5.2 MeV and the range in air is ∼37 mm. The range in other materials can be estimated via the Bragg-Kleenman equation. For plutonium, A is 94, and the typical density for a single particle is ∼11.5 g/cm{sup 3}, but for a powder, the density would be less because of the air packing fraction. The significance of the small diameter is that the range of the alpha particle is ∼50 μm for powder density 2.5 and significantly less for a single particle with density 11.5, so the thin deposit of separate small particles will have a greatly reduced (α,n) yield. The average alpha transit length to the surface in the isolated MOX particle would be < 2.5 μm; whereas, the range of the alpha particle is much longer. Thus, most of the alpha particles would escape from the MOX particle and be absorbed by the walls and air. The air dispersal particles will have access to a large surface area that includes the walls, whereas, the powder contact surface area will be orders of magnitude smaller. Thus, the vast majority of the glove-box surface area does not produce the full (α,n) reaction neutron yield, even from the O{sub 2} in the PuO{sub 2} as well as any impurity contamination such as H{sub 2}O. To obtain a more quantitative estimate of the neutron (α,n) yields as a function of holdup deposit thickness, we have used MCNPX calculations to estimate the absorption of alpha particles in PuO{sub 2} holdup deposits. The powder thickness was varied from 0.1 μm to 5000 μm and the alpha particle escape probability was calculated. As would be expected, as the thickness approaches zero, the escape probability approaches 1.0, and as the thickness gets much greater than the alpha particle range (∼50 μm), the escape probability becomes small. Typically, the neutron holdup calibration measurement are performed using sealed containers of thick MOX that has all 3 sources of neutrons [SF, (α,n), and M], and no significant impurities. Thus, the calibration counting rates need to include corrections for M and (α,n) yields that are different for the holdup compared with the calibration samples. If totals neutron counting is used for the holdup measurements, the variability of the (α,n) term needs to be considered.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Dramatically improve the Safety Performance of Li ion Battery Separators and Reduce the Manufacturing Cost Using Ultraviolet Curing and High Precision Coating Technologies

The objective of this project was to improve the safety of operation of Lithium ion batteries (LIB)and at the same time significantly reduce the manufacturing cost of LIB separators. The project was very successful in demonstrating the improved performance and reduced cost attributed to using UV curable binder and high speed printing technology to place a very thin and precisely controlled ceramic layer on the surface of base separators made of polyolefins such as Polyethylene, Polypropylene and combinations of the two as well as cellulosic base separators. The underlying need for this new technology is the recently identified potential of fire in large format Lithium ion batteries used in hybrid, plug-in hybrid and electric vehicles. The primary potential cause of battery fire is thermal runaway caused by several different electrical or mechanical mechanisms; such as, overcharge, puncture, overheating, compaction, and internal short circuit. During thermal runaway, the ideal separator prevents ion flow and continues to physically separate the anode from the cathode. If the temperature of the battery gets higher, the separator may melt and partially clog the pores and help prevent ion flows but it also can shrink which can result in physical contact of the electrodes and accelerate thermal run-away even further. Ceramic coated separators eliminate many of the problems related to the usage of traditional separators. The ceramic coating provides an electrically insulating layer that retains its physical integrity at high temperature, allows for more efficient thermal heat transfer, helps reduce thermal shrinkage, and inhibits dendrite growth that could create a potential short circuit. The use of Ultraviolet (UV) chemistry to bind fine ceramic particles on separators is a unique and innovative approach primarily because of the instant curing of the UV curable binder upon exposure to UV light. This significant reduction in drying/curing time significantly reduces the cost of a ceramic coating. Another innovation is high precision, high speed, printing techniques that can apply a unique pattern of ceramic particles on base separators. The pattern will maximize ionic conductivity and minimize ceramic coating weight and thickness, while retaining the benefits of increased puncture strength, reduced thermal shrinkage and no decomposition. This project has met all of its goals and has been successfully completed. This successful completion has enabled Miltec UV to take the final steps leading to the commercialization of an innovative technology that will result in ceramic coated separators that can be manufactured and sold from the US, with increased production capacity, reduced cost, and improved battery safety.

25 ENERGY STORAGE↗

The influence of scattering particles morphology on the characteristics of lidar signals

The characteristics of light scattering by a separate spherical particle are used as a priori information when interpreting the data on laser sounding of atmospheric aerosols. Analogously, it is necessary to have a priori information on the characteristics of light scattering by a single crystals in order to restitute the microstructure of crystal formation in the atmosphere. In contrast to the aerosol particles the crystals are of different shapes. On the one hand, this complicates the solution of electrodynamic problems on light scattering by such crystals. On the other hand, if obtaining such a solution is possible, one can determine the morphology of scattering particles accoring to the sounding data and this enables additonal information to be obtained on such meteorological parameters as temperature, pressure, and humidity. Using the geometric-wave approach the problem of scattering of plane electromagnetic wave on convex polyhedrons of arbitrary form was solved. As a result, the expressions were obtained for electric field components of perpendicular and parallel polarizations scattered in any given direction.

Zuev, V. E.↗

Structurization of ferrofluids in the absence of an external magnetic field

Structural transformations in a model ferrofluid in the absence of an external magnetic field have been theoretically studied. The results agree with well-known laboratory experiments and computer simulations in showing that, if the concentration of particles and their magnetic interaction energy are below certain critical values, most particles form separate linear chains. If these parameters exceed the critical values, most particles concentrate so as to form branched network structures. The passage from chains to network has a continuous character rather than represents a discontinuous first-order phase transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Not all types of secondary organic aerosol mix: two phases observed when mixing different secondary organic aerosol types

Abstract. Secondary organic aerosol (SOA) constitutes a large fraction of atmospheric aerosol. To assess its impacts on climate and air pollution, knowledge of the number of phases in internal mixtures of different SOA types is required. Atmospheric models often assume that different SOA types form a single phase when mixed. Here, we present visual observations of the number of phases formed after mixing different anthropogenic and biogenic SOA types. Mixing SOA types generated in environmental chambers with oxygen-to-carbon (O/C) ratios between 0.34 and 1.05, we found 6 out of 15 mixtures of two SOA types to result in two phase particles. We demonstrate that the number of phases depends on the difference in the average O/C ratio between the two SOA types (Δ(O/C)). Using a threshold Δ(O/C) of 0.47, we can predict the phase behavior of over 90 % of our mixtures, with one- and two-phase particles predicted for Δ(O/C)<0.47 and Δ(O/C)≥0.47, respectively. This threshold ΔO/C value provides a simple parameter to predict whether mixtures of fresh and aged SOA form one- or two-phase particles in the atmosphere. In addition, we show that phase-separated SOA particles form when mixtures of volatile organic compounds emitted from real trees are oxidized.

Mahrt, Fabian (ORCID:0000000270596765)↗

Capillary electrophoresis: Biotechnology for separation of DNA and chromosomes

Electrophoresis has been used for the separation of particles, ions, and molecules for a number of years. The technology for separation and detection of the results has many applications in the life sciences. One of the major goals of the scientific community is to separate DNA molecules and intact chromosomes based upon their different lengths or number of base pairs. This may be achieved by using some of the commercially available and widely used methods, but these processes require a considerable amount of time. The challenge is to achieve separation of intact chromosomes in a short time, preferably in a matter of minutes.

Williams, George O., Jr.↗

FOSSIL—Finding Our Cosmic Roots

FOSSIL (Fragments from the Origins of the Solar System and our Interstellar Locale) is a concept to explore the largest solar system object visible to the unaided eye—the zodiacal cloud. The cloud’s many dust particles are each a tiny time capsule from a comet or asteroid. The FOSSIL concept is for the in situ compositional analysis of interplanetary dust particles, and also of the particles passing through the solar system from interstellar space. By measuring the zodiacal and interstellar particles’ velocity vectors and compositions, the approach resolves fundamental questions about the solar system’s origins. The FOSSIL concept is to: (1) Discover whether today’s local interstellar dust matches the composition of the feedstock from which the solar system formed; (2) Determine whether comets’ fine-grained component preserves unprocessed pre-solar dust or shows signs of processing in the early solar system; and (3) Learn whether comets’ and asteroids’ organic material share a common source or formed from distinct reservoirs. The FOSSIL concept is based on the use of a Dust Telescope (DT) with the capability to measure the composition and the velocity vector of dust particles to unambiguously separate interstellar from interplanetary particles, and identify a subset of zodiacal particles that are exclusively cometary. In the DT, particles pass through the trajectory sensor unharmed and impact a target plate, where they are vaporized and partially ionized. The ions are electrostatically focused onto a detector where the time-of-flight mass spectrum is recorded, enabling measurement of the composition of the interstellar solids, detection of cometary minerals altered by high temperatures or exposure to liquid water in the early solar system, and the characterization of the organic materials from the comets and asteroids that are still being delivered to the Earth today. FOSSIL’s objectives crosscut several disciplines with planetary science. Astrophysics interests lie in understanding interstellar solar matter and the only debris disk accessible in situ. Heliophysics interest is in the verification of large-scale heliospheric magnetic field models by the measured effect on the motion of electrically charged interstellar dust. Reporting the makeup of interplanetary dust that ablates in our atmosphere is valuable to Earth sciences. FOSSIL’s DT is scalable and can be accommodated to a variety of mission opportunities, without restriction on launch dates, and for a large number of possible orbits.

Turner, Neal↗

Kinematic Variables and Feature Engineering for Particle Phenomenology

Kinematic variables have been playing an important role in collider phenomenology, as they expedite discoveries of new particles by separating signal events from unwanted background events and allow for measurements of particle properties such as masses, couplings, spins, etc. For the past 10 years, an enormous number of kinematic variables have been designed and proposed, primarily for the experiments at the Large Hadron Collider, allowing for a drastic reduction of high-dimensional experimental data to lower-dimensional observables, from which one can readily extract underlying features of phase space and develop better-optimized data-analysis strategies. We review these recent developments in the area of phase space kinematics, summarizing the new kinematic variables with important phenomenological implications and physics applications. We also review recently proposed analysis methods and techniques specifically designed to leverage the new kinematic variables. As machine learning is nowadays percolating through many fields of particle physics including collider phenomenology, we discuss the interconnection and mutual complementarity of kinematic variables and machine learning techniques. We finally discuss how the utilization of kinematic variables originally developed for colliders can be extended to other high-energy physics experiments including neutrino experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The electric current effect on electrochemical deconsolidation of spherical fuel elements - 18447

For High-Temperature Gas-cooled Reactor in China, fuel particles are bonded into spherical fuel elements by a carbonaceous matrix. In conjunction with the development of a system to determine fuel failure fractions through {gamma}-analysis of individual and undamaged fuel particles, an automated electrochemical deconsolidation apparatus was developed in this study to separate the particles from the carbonaceous matrix by disintegrating the matrix into fine graphite powder, based on the anodic oxidation of graphite in an electrolyte containing nitric acid. A series of tests were conducted under a range of deconsolidation conditions to develop procedures and refine the equipment. The easy-handle un-irradiated spherical fuel elements were used as samples for initial tests. It is found that the morphology, size, and element content of deconsolidated graphite matrix and free particles were notably affected by electric current intensity. During the electrolysis, the nitric acid electrolyte gradually infiltrated into the micropores of graphite matrix, and the electrochemical reaction would take place around micropore structure as well as matrix surface. With much higher surface reaction capability due to the large specific area of micropore structure, the expansion stress originated from inner surface of micropores widened the c-spacing of the layer lattice of carbonaceous matrix, which was thought to be one of the main driving force of deconsolidation. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Glass Frit Clumping and Dusting

DWPF mixes a slurry of glass frit (Frit 418) and dilute (1.5 wt%) formic acid solution with high level waste in the Slurry Mix Evaporator (SME). There would be advantages to introducing the frit in a non-slurry form to minimize water addition to the SME, however, adding completely dry frit has the potential to generate dust which could clog filters or condensers. Prior testing with another type of frit, Frit 320, and using a minimal amount of water reduced dust generation, however, the formation of hard clumps was observed. To examine options and behavior, a TTQAP [McCabe and Stone, 2013] was written to initiate tests that would address these concerns. Tests were conducted with four types of glass frit; Frit 320, DWPF Frit 418, Bekeson Frit 418 and Multi-Aspirator Frit 418. The last two frits are chemically identical to DWPF Frit 418 but smaller particles were removed by the respective vendors. Test results on Frit Clumping and Dusting are provided in this report. This report addresses the following seven questions. Short answers are provided below with more detailed answers to follow. 1. Will the addition of a small amount of water, 1.5 wt%, to dry DWPF Frit 418 greatly reduce the dust generation during handling at DWPF? a. Yes, a small scale test showed that adding a little water to the frit greatly reduced dust generation during handling. 2. Will the addition of small amounts of water to the frit cause clumping that will impair frit handling at DWPF? a. No, not with Frit 418. Although clumps were observed to form when 1.5 wt% water was mixed with DWPF Frit 418, then compressed and air-dried overnight, the clumps were easily crushed and did not form the hardened material noted when Frit 320 was tested. 3. What is the measured size distribution of dust generated when dry frit is handled? (This affects the feasibility and choice of processing equipment for removing the dust generating fraction of the frit before it is added to the SME.) a. The size distribution for the dust removed from fresh DWPF Frit 418 while it was being shaken in a small scale LabRAM test was measured. The median size on a volume basis was 7.6 μm and 90% of the frit particles were between 1.6 and 28 μm. The mass of dust collected using this test protocol was much less than 1% of the original frit. 4. Can the dust be removed in a small number of processing steps and without the larger frit particles continuing to spall additional dust sized particles? a. Test results using a LabRAM were inconclusive. The LaRAM performs less efficient particle size separation than the equipment used by Bekeson and Multi-Aspirator. 5. What particle size of frit is expected to create a dust problem? a. The original criterion for creating a dusting problem was those particle sizes that were readily suspended when being shaken. For that criterion calculations and Microtrac size analyses indicated that particles smaller than 37 μm are likely dust generators. Subsequently a more sophisticated criterion for dust problem was considered, particle sizes that would become suspended in the air flow patterns inside the SME and possibly plug the condenser. That size may be larger than 37 μm but has not yet been determined. 6. If particles smaller than 37 μm are removed will bulk dust generation be eliminated? a. Video-taped tests were performed using three gallons each of three types of frit 418, DWPF frit, Bekeson frit and Multi-Aspirator frit. Frit was poured through air from a height of approximately eight feet into a container half filled with water. Pouring Bekeson frit or Multi-Aspirator frit generated markedly less visible dust, but there was still a significant amount, which still has the potential of causing a dust problem. 7. Can completely dry frit be poured into the SME without having dust plug the condenser at the top of the vessel? a. Because of the complexity of air currents inside the SME and the difficulty of defensible size scaling a more prototypical test will be required to answer this question. We recommend construction of a full scale mockup of the top half of the SME with a shallow basin of water at the bottom and a simulated condenser at the top. It could be made from simple materials such as PVC pipe, cardboard and clear plastic and tested with dry frit. Depending on results, this may need to be coupled with the proposed pneumatic transfer system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Particle Size and Density Measurement

This project has developed a miniature gravity settling classifier (flow cell) and flow system that separates slurry particles by settling rate into six different Cuts. The settling rates for particles in each Cut were determined from COMSOL computational fluid dynamics (CFD) modeling of the flow in the flow cell together with particle tracking for particles of differing settling rates. For particles collected in each Cut, the particle concentration and size distribution were measured. The effective particle densities from each Cut are calculated from their respective CFD modeled settling rates using a relationship between the unhindered settling rate, particle size distribution (PSD), and effective density. The particle size and density distribution (PSDD) of the slurry sample is then calculated by combining the size and density distributions determined for the particles collected in each of the settling rate Cuts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The search for refractory interplanetary dust particles from preindustrial aged Antarctic ice

In a study of refractory interplanetary dust particles, preindustrial-aged Antarctic ice samples have been collected, melted, and filtered to separate the particle load. Particles containing a significant amount of aluminum, titanium, and/or calcium were singled out for detailed SEM and STEM characterization. The majority of these particles are shown to be volcanic tephra from nearby volcanic centers. Six spherical aggregates were encountered that consist of submicron-sized grains of rutile within polycrystalline cristobalite. These particles are probably of terrestrial volcanic origin, but have not been previously reported from any environment. One aggregate particle containing fassaite and hibonite is described as a probable interplanetary dust particle. The constituent grain sizes of this particle vary from 0.1 to 0.3 microns, making it significantly more fine-grained than meteoritic calcium-aluminum-rich inclusions. This particle is mineralogically and morphologically similar to recently reported refractory interplanetary dust particles collected from the stratosphere, and dissimilar to the products of modern spacecraft debris.

Zolensky, Michael E.↗

Influence of Ions on the Size Dependent Morphology of Aerosol Particles

The study of aerosol particles composed of mixtures of organic and inorganic compounds provides insights for understanding chemistry in the atmosphere as well as information about phase transitions of systems under confinement. In the submicron size regime, we have previously found that liquid-liquid phase separation can be inhibited at sufficiently small particle diameters leading to phase separated particles at larger sizes and homogeneous particles below a threshold diameter. In this paper, we have investigated the influence of cations and anions in the inorganic compound (NH 4 + , Na + , SO 4 2- , HSO 4 - , and Cl-) on the phase separation of submicron aerosol particles. Each of five salts were studied with two different organic compounds. Surprisingly, a strong dependence on the identity of the cation is evident in the size dependence of the particle morphology and no dependence on the anion was found. Sodium containing samples exhibit phase separation in particles below 20 nm in diameter whereas ammonium containing samples cease to undergo phase separation in particles between 45 and 65 nm in diameter. The separation relative humidity for supermicron droplets also depends on the identity of the cation in the inorganic component if the anion is the same across the salts compared. In addition, the correlation between the separation relative humidity and size dependence was investigated and displays a trend, but is not a dominant feature of the data. We explain the results in terms of hard and soft ions, where the harder cation (Na + ) leads to phase separation down to smaller sizes while the softer cation (NH 4 + ) prevents phase separation and causes particles up to a larger diameter to remain homogenous. This study has implications for atmospheric chemistry in regions dominated by sea spray aerosol, which contains sodium as the primary cation, when compared to continental aerosol, where ammonium is an abundant cation. Additionally, these findings can be used to understand the influence of cations on the phase transitions of confined materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A novel partitioning method for block-structured adaptive meshes

We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtain the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.

97 MATHEMATICS AND COMPUTING↗