Analysis and quantification of the diversities of aerosol life cycles within AeroCom

Simulation results of global aerosol models have been assembled in the framework of the AeroCom intercomparison exercise. In this paper, we analyze the life cycles of dust, sea salt, sulfate, black carbon and particulate organic matter as simulated by sixteen global aerosol models. The diversities among the models for the sources and sinks, burdens, particle sizes, water uptakes, and spatial dispersals have been established. These diversities have large consequences for the calculated radiative forcing and the aerosol concentrations at the surface. The AeroCom all-models-average emissions are dominated by the mass of sea salt (SS), followed by dust (DU), sulfate (SO_4), particulate organic matter (POM), and finally black carbon (BC). Interactive parameterizations of the emissions and contrasting particles sizes of SS and DU lead generally to higher diversities of these species, and for total aerosol. The lower diversity of the emissions of the fine aerosols, BC, POM, and SO_4, is due to the use of similar emission inventories, and does therefore not necessarily indicate a better understanding of their sources. The diversity of SO_4-sources is mainly caused by the disagreement on depositional loss of precursor gases and on chemical production. The diversities of the emissions are passed on to the burdens, but the latter are also strongly affected by the model-specific treatments of transport and aerosol processes. The burdens of dry masses decrease from largest to smallest: DU, SS, SO_4, POM, and BC. The all-models-average residence time is shortest for SS with about half a day, followed by S_O4 and DU with four days, and POM and BC with six and seven days, respectively. The wet deposition rate is controlled by the solubility and increases from DU, BC, POM to SO_4 and SS. It is the dominant sink for SO_4, BC, and POM, and contributes about one third to the total removal rate coefficients of SS and DU species. For SS and DU we find high diversities for the removal rate coefficients and deposition pathways. Models do neither agree on the split between wet and dry deposition, nor on that between sedimentation and turbulent dry Deposition. We diagnose an extremely high diversity for the uptake of ambient water vapor that influences the particle size and thus the sink rate coefficients. Furthermore, we find little agreement among the model results for the partitioning of wet removal into scavenging by convective and stratiform rain. Large differences exist for aerosol dispersal both in the vertical and in the horizontal direction. In some models, a minimum of total aerosol concentration is simulated at the surface. Aerosol dispersal is most pronounced for SO4 and BC and lowest for SS. Diversities are higher for meridional than for vertical dispersal, they are similar for a given species and highest for SS and DU. For these two components we do not find a correlation between vertical and meridional aerosol dispersal. In addition the degree of dispersals of SS and DU is not related to their residence times. SO_4, BC, and POM, however, show increased meridional dispersal in models with larger vertical dispersal, and dispersal is larger for longer simulated residence times

Analyzing the Binding of Co(II)-specific Inhibitors to the Methionyl Aminopeptidases from \u3cem\u3eEscherichia coli\u3c/em\u3e and \u3cem\u3ePyrococcus furiosus\u3c/em\u3e

Methionine aminopeptidases (MetAPs) represent a unique class of protease that is capable of the hydrolytic removal of an N-terminal methionine residue from nascent polypeptide chains. MetAPs are physiologically important enzymes; hence, there is considerable interest in developing inhibitors that can be used as antiangiogenic and antimicrobial agents. A detailed kinetic and spectroscopic study has been performed to probe the binding of a triazole-based inhibitor and a bestatin-based inhibitor to both Mn(II)- and Co(II)-loaded type-I (Escherichia coli) and type-II (Pyrococcus furiosus) MetAPs. Both inhibitors were found to be moderate competitive inhibitors. The triazole-type inhibitor was found to interact with both active-site metal ions, while the bestatin-type inhibitor was capable of switching its mode of binding depending on the metal in the active site and the type of MetAP enzyme

Institute for Computational Mechanics in Propulsion (ICOMP)

The Institute for Computational Mechanics in Propulsion (ICOMP) is a combined activity of Case Western Reserve University, Ohio Aerospace Institute (OAI) and NASA Lewis. The purpose of ICOMP is to develop techniques to improve problem solving capabilities in all aspects of computational mechanics related to propulsion. The activities at ICOMP during 1991 are described

Real-time lattice boltzmann shallow waters method for breaking wave simulations

We present a new approach for the simulation of surfacebased fluids based in a hybrid formulation of Lattice Boltzmann Method for Shallow Waters and particle systems. The modified LBM can handle arbitrary underlying terrain conditions and arbitrary fluid depth. It also introduces a novel method for tracking dry-wet regions and moving boundaries. Dynamic rigid bodies are also included in our simulations using a two-way coupling. Certain features of the simulation that the LBM can not handle because of its heightfield nature, as breaking waves, are detected and automatically turned into splash particles. Here we use a ballistic particle system, but our hybrid method can handle more complex systems as SPH. Both the LBM and particle systems are implemented in CUDA, although dynamic rigid bodies are simulated in CPU. We show the effectiveness of our method with various examples which achieve real-time on consumer-level hardware.Peer ReviewedPostprint (author's final draft

Probing the Nuclear Symmetry Energy with Heavy Ion Collisions

Heavy Ion Collisions (HIC) represent a unique tool to probe the in-medium nuclear interaction in regions away from saturation. In this report we present a selection of new reaction observables in dissipative collisions particularly sensitive to the symmetry term of the nuclear Equation of State ($Iso-EoS$). We will first discuss the Isospin Equilibration Dynamics. At low energies this manifests via the recently observed Dynamical Dipole Radiation, due to a collective neutron-proton oscillation with the symmetry term acting as a restoring force. At higher beam energies Iso-EoS effects will be seen in an Isospin Diffusion mechanism, via Imbalance Ratio Measurements, in particular from correlations to the total kinetic energy loss. For fragmentation reactions in central events we suggest to look at the coupling between isospin distillation and radial flow. In Neck Fragmentation reactions important Iso-EoS information can be obtained from fragment isospin content, velocity and alignement correlations. The high density symmetry term can be probed from isospin effects on heavy ion reactions at relativistic energies (few AGeV range), in particular for high transverse momentum selections of the reaction products. Rather isospin sensitive observables are proposed from nucleon/cluster emissions, collective flows and meson production. The possibility to shed light on the controversial neutron/proton effective mass splitting in asymmetric matter is also suggested. A large symmetry repulsion at high baryon density will also lead to an "earlier" hadron-deconfinement transition in n-rich matter. The binodal transition line of the (T,\rho_B) diagram is lowered to a region accessible through heavy ion collisions in the energy range of the new planned facilities, e.g. the FAIR/NICA projects. Some observable effects of the formation of a Mixed Phase are suggested, in particular a Neutron Trapping mechanism. The dependence of the results on a suitable treatment of the isovector part of the interaction in effective QCD Lagrangian approaches is critically discussed. We stress the interest of this study in nuclear astrophysics, in particular for supernovae explosions and neutron star structure, where the knowledge of the Iso-EoS is important at low as well as at high baryon density.Comment: 52 pages, 28 figures, topical review submitted to J. Phys. G: Nucl. Phys (IOP Latex

Recent developments in GEANT 4

Fil: Depaola, Gerardo Osvaldo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación; Argentina.GEANT4 is a software toolkit for the simulation of the passage of particles through matter. It is used by a large number of experiments and projects in a variety of application domains, including high energy physics, astrophysics and space science, medical physics and radiation protection. Over the past several years, major changes have been made to the toolkit in order to accommodate the needs of these user communities, and to efficiently exploit the growth of computing power made available by advances in technology. The adaptation of GEANT4 to multithreading, advances in physics, detector modeling and visualization, extensions to the toolkit, including biasing and reverse Monte Carlo, and tools for physics and release validation are discussed here.info:eu-repo/semantics/publishedVersionFil: Depaola, Gerardo Osvaldo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación; Argentina.Física de Partículas y Campo

Animating physical phenomena with embedded surface meshes

Accurate computational representations of highly deformable surfaces are indispensable in the fields of computer animation, medical simulation, computer vision, digital modeling, and computational physics. The focus of this dissertation is on the animation of physics-based phenomena with highly detailed deformable surfaces represented by triangle meshes. We first present results from an algorithm that generates continuum mechanics animations with intricate surface features. This method combines a finite element method with a tetrahedral mesh generator and a high resolution surface mesh, and it is orders of magnitude more efficient than previous approaches. Next, we present an efficient solution for the challenging problem of computing topological changes in detailed dynamic surface meshes. We then introduce a new physics-inspired surface tracking algorithm that is capable of preserving arbitrarily thin features and reproducing realistic fine-scale topological changes like Rayleigh-Plateau instabilities. This physics-inspired surface tracking technique also opens the door for a unique coupling between surficial finite element methods and volumetric finite difference methods, in order to simulate liquid surface tension phenomena more efficiently than any previous method. Due to its dramatic increase in computational resolution and efficiency, this method yielded the first computer simulations of a fully developed crown splash with droplet pinch off.Ph.D.Committee Chair: Turk, Greg; Committee Member: Essa, Irfan; Committee Member: Liu, Karen; Committee Member: Mucha, Peter J.; Committee Member: Rossignac, Jare

Reaction Dynamics with Exotic Beams

We review the new possibilities offered by the reaction dynamics of asymmetric heavy ion collisions, using stable and unstable beams. We show that it represents a rather unique tool to probe regions of highly Asymmetric Nuclear Matter ($ANM$) in compressed as well as dilute phases, and to test the in-medium isovector interaction for high momentum nucleons. The focus is on a detailed study of the symmetry term of the nuclear Equation of State ($EOS$) in regions far away from saturation conditions but always under laboratory controlled conditions. Thermodynamic properties of $ANM$ are surveyed starting from nonrelativistic and relativistic effective interactions. In the relativistic case the role of the isovector scalar $\delta$-meson is stressed. The qualitative new features of the liquid-gas phase transition, "diffusive" instability and isospin distillation, are discussed. The results of ab-initio simulations of n-rich, n-poor, heavy ion collisions, using stochastic isospin dependent transport equations, are analysed as a function of beam energy and centrality. The isospin dynamics plays an important role in all steps of the reaction, from prompt nucleon emissions to the final fragments. The isospin diffusion is also of large interest, due to the interplay of asymmetry and density gradients. In relativistic collisions, the possibility of a direct study of the covariant structure of the effective nucleon interaction is shown. Results are discussed for particle production, collective flows and iso-transparency. Perspectives of further developments of the field, in theory as well as in experiment, are presented.Comment: 167+5 pages, 77 figures, general revie

Doctor of Philosophy

dissertationPhysical simulation has become an essential tool in computer animation. As the use of visual effects increases, the need for simulating real-world materials increases. In this dissertation, we consider three problems in physics-based animation: large-scale splashing liquids, elastoplastic material simulation, and dimensionality reduction techniques for fluid simulation. Fluid simulation has been one of the greatest successes of physics-based animation, generating hundreds of research papers and a great many special effects over the last fifteen years. However, the animation of large-scale, splashing liquids remains challenging. We show that a novel combination of unilateral incompressibility, mass-full FLIP, and blurred boundaries is extremely well-suited to the animation of large-scale, violent, splashing liquids. Materials that incorporate both plastic and elastic deformations, also referred to as elastioplastic materials, are frequently encountered in everyday life. Methods for animating such common real-world materials are useful for effects practitioners and have been successfully employed in films. We describe a point-based method for animating elastoplastic materials. Our primary contribution is a simple method for computing the deformation gradient for each particle in the simulation. Given the deformation gradient, we can apply arbitrary constitutive models and compute the resulting elastic forces. Our method has two primary advantages: we do not store or compare to an initial rest configuration and we work directly with the deformation gradient. The first advantage avoids poor numerical conditioning and the second naturally leads to a multiplicative model of deformation appropriate for finite deformations. One of the most significant drawbacks of physics-based animation is that ever-higher fidelity leads to an explosion in the number of degrees of freedom